data_6bzl_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 6bzl _Structure_validation_residue.Date_analyzed 2019-01-11 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 ' 4' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 CA--C 1.534 0.35 0 CA-C-O 120.83 0.348 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -82.04 -44.5 16.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.708 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.44 -44.02 92.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.338 -178.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.433 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 14.0 t -68.02 -20.23 64.98 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.38 -178.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.65 -30.16 70.35 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.701 0.286 . . . . 0.0 111.001 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -84.25 -26.14 28.88 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 120.961 0.41 . . . . 0.0 110.14 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.15 -31.65 49.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.318 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 7' ' ' THR . 16.8 mm-40 -76.47 -36.92 57.61 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.018 0.437 . . . . 0.0 109.827 178.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.1 tp -64.49 -33.21 75.37 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.585 177.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -69.4 -27.79 65.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.623 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -64.79 -34.94 79.54 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 120.996 0.427 . . . . 0.0 110.105 177.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.1 mt -68.23 -24.87 64.96 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.121 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -79.92 -16.09 55.99 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.637 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -90.83 -32.7 15.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.993 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -70.03 -55.27 9.97 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-O 120.726 0.298 . . . . 0.0 110.672 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.4 mtm-85 63.97 174.83 0.18 Allowed 'General case' 0 C--O 1.238 0.481 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 175.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -129.81 -14.57 4.01 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.253 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -54.45 -49.18 70.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.864 -178.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -66.89 -29.93 69.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.787 0.327 . . . . 0.0 111.095 -177.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.86 -21.85 37.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.112 0.482 . . . . 0.0 110.663 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -85.67 -40.46 16.14 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.8 mt -69.98 -26.48 64.11 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.766 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -60.88 -34.08 74.08 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.252 0.548 . . . . 0.0 110.202 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -69.24 -46.22 67.86 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.343 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.7 tp -73.69 -25.15 60.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.716 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -66.82 -22.29 66.01 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.797 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.9 t -73.96 -26.62 60.58 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 56.09 29.46 14.61 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.349 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.423 ' HA ' ' ND1' ' A' ' 35' ' ' HIS . 53.6 mtp85 68.85 14.47 8.92 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.428 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -71.76 -24.49 61.77 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -70.28 -21.9 62.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.164 177.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.423 ' ND1' ' HA ' ' A' ' 32' ' ' ARG . 59.9 m80 -73.79 -33.9 64.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.537 177.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -66.25 -30.55 71.02 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.47 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -57.67 -42.19 83.1 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.762 177.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -71.44 -26.66 62.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.501 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -73.57 -25.48 60.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.892 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.77 -28.42 68.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.628 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.464 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -73.25 -34.74 66.02 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.029 0.442 . . . . 0.0 110.038 176.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.9 mmt-85 -72.35 -44.17 62.99 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -61.44 -34.33 75.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.856 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.66 -23.17 65.3 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.803 0.335 . . . . 0.0 111.095 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 86.3 mt -73.38 -33.95 65.3 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.428 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -87.38 -31.38 20.14 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.21 -32.06 73.54 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.722 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -88.72 -42.85 11.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.684 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.03 -44.61 92.03 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.589 -177.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.83 -21.02 59.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.532 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.7 t70 . . . . . 0 C--N 1.326 -0.455 0 CA-C-O 120.799 0.333 . . . . 0.0 110.768 179.853 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.9 tttp 53.52 28.58 7.89 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.881 176.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.5 mt -70.13 -31.3 68.76 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 120.868 0.366 . . . . 0.0 110.615 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.468 ' C ' ' H ' ' A' ' 9' ' ' ASP . 24.6 p -84.52 -27.57 27.3 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.15 0.5 . . . . 0.0 109.653 176.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.478 ' C ' ' H ' ' A' ' 10' ' ' ALA . . . 68.99 -12.67 0.38 Allowed 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 115.208 -0.905 . . . . 0.0 112.622 177.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.468 ' H ' ' C ' ' A' ' 7' ' ' THR . 59.5 m-20 70.94 -25.1 0.17 Allowed 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.704 0.801 . . . . 0.0 112.236 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.478 ' H ' ' C ' ' A' ' 8' ' ' ALA . . . -63.93 -25.23 68.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.342 -179.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -64.52 -29.18 70.22 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.695 0.283 . . . . 0.0 110.922 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.5 tp -74.83 -40.64 60.95 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -61.27 -44.15 97.71 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.024 178.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.547 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 60.7 mtp180 -65.22 -45.77 83.37 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.444 178.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.0 tp -58.86 -31.8 68.86 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.907 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -60.92 -45.11 95.98 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.42 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . 80.4 m-20 -73.27 -33.7 65.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.845 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 11.2 mm-40 -61.71 -37.44 84.19 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 121.407 0.623 . . . . 0.0 110.473 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -89.3 -2.28 58.39 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.086 -177.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.9 m170 -102.9 -47.57 4.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.892 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 65.91 -60.71 0.29 Allowed 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 123.831 0.852 . . . . 0.0 112.892 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -69.63 -27.97 65.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.911 0.386 . . . . 0.0 110.593 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.626 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -68.5 -25.16 64.82 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.888 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.42 ' HG2' ' HB3' ' A' ' 17' ' ' ASN . 40.2 mt-10 -66.66 -39.39 88.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.209 0.528 . . . . 0.0 110.096 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.7 mt -72.33 -20.6 61.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.598 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -86.44 -41.93 14.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.813 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.626 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 22.9 mtp180 -59.12 -34.12 71.66 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.25 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.7 tp -65.5 -26.39 67.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.975 0.416 . . . . 0.0 110.705 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 78.9 mttt -87.32 -29.94 21.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.018 0.437 . . . . 0.0 110.182 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.2 t -90.39 -32.25 16.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.18 -176.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -94.07 18.0 11.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.156 0.503 . . . . 0.0 111.02 -176.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 2.9 ptp180 -77.65 -8.15 57.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.666 178.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -114.71 170.83 8.03 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.432 ' CG ' ' HZ1' ' A' ' 38' ' ' LYS . 28.6 t70 -171.41 -33.06 0.02 OUTLIER 'General case' 0 C--N 1.343 0.304 0 CA-C-O 120.755 0.312 . . . . 0.0 111.409 -178.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.525 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 72.4 m80 -66.32 -49.71 66.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.561 -177.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -57.04 -37.02 71.18 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.63 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -64.92 -51.69 60.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.448 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.432 ' HZ1' ' CG ' ' A' ' 34' ' ' ASP . 54.7 mttp -61.93 -36.56 81.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.406 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 35' ' ' HIS . 49.9 mt-10 -61.73 -32.31 72.53 Favored 'General case' 0 C--O 1.227 -0.112 0 CA-C-O 120.681 0.276 . . . . 0.0 110.593 178.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.72 -34.97 27.08 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.833 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -67.71 -41.85 82.89 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.964 0.412 . . . . 0.0 110.556 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -64.78 -50.93 64.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.616 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -65.33 -31.81 73.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.686 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.73 -20.68 61.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.963 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.6 tp -89.65 -35.56 15.75 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.809 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -70.91 -28.89 64.86 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.722 0.296 . . . . 0.0 110.524 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -66.87 -34.88 78.77 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -74.21 -31.95 62.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.942 0.401 . . . . 0.0 110.658 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.3 tp -75.35 -23.5 57.22 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.933 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.82 -16.17 57.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.961 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.7 t70 . . . . . 0 C--N 1.319 -0.733 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.777 179.94 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 . . . . . 0 CA--C 1.551 1.018 0 N-CA-C 110.356 -0.238 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 44.5 pttt -122.07 15.62 10.74 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.927 -0.483 . . . . 0.0 110.836 177.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.3 tp 55.99 29.32 14.15 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.166 175.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.2 m 63.44 20.02 12.02 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-O 121.261 0.553 . . . . 0.0 111.139 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.11 5.17 10.64 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.149 0.499 . . . . 0.0 110.966 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -69.42 -29.52 67.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.207 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.23 -22.63 63.84 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.48 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -78.41 -47.23 18.0 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.611 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.9 tp -58.96 -42.46 89.94 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.765 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -66.4 -38.34 87.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.846 178.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -63.68 -52.55 60.16 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.166 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.8 mp -65.03 -26.93 68.47 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -80.51 -33.35 36.49 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.804 0.335 . . . . 0.0 110.571 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -85.04 -34.54 22.27 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.574 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -76.9 -67.52 0.7 Allowed 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 65.4 -69.27 0.1 Allowed 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 172.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 50.1 p-80 -138.28 3.64 2.38 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.567 0.222 . . . . 0.0 111.535 -175.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -66.08 -48.27 71.54 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -176.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -71.57 -32.92 68.62 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.371 -177.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.97 -25.92 56.29 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.906 -0.317 . . . . 0.0 110.606 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -72.0 -52.0 19.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.002 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.9 tp -65.09 -30.77 71.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.562 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -72.46 -29.0 63.28 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.125 0.488 . . . . 0.0 109.759 178.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -69.96 -42.43 73.21 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.2 mt -66.55 -22.48 66.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.175 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -85.07 -31.96 23.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.08 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.3 m -77.52 -36.82 52.12 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.252 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -143.06 145.58 33.02 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 178.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -166.9 -33.8 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 118.233 0.47 . . . . 0.0 110.452 -175.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -123.41 -172.67 2.56 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.355 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -64.1 -27.06 68.84 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.823 -177.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -49.73 -36.69 26.47 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -177.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -67.04 -56.61 9.34 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.077 0.465 . . . . 0.0 112.118 -178.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -86.21 -18.23 32.71 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -173.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -63.27 -38.49 91.36 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.194 0.521 . . . . 0.0 109.671 176.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -75.27 -29.95 60.29 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.671 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.34 -27.43 59.2 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-O 121.077 0.465 . . . . 0.0 109.824 178.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -69.9 -42.85 72.83 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -62.82 -43.78 97.9 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.045 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -58.14 -36.53 73.1 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.009 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.17 -19.28 63.99 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.025 0.44 . . . . 0.0 110.701 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.1 tp -90.3 -36.69 14.54 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.777 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -81.93 -34.56 29.8 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -177.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.07 -32.13 68.73 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.223 177.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -75.17 -27.95 59.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 177.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.7 tp -68.81 -34.75 76.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.474 177.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.74 -26.0 61.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.788 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.8 t70 . . . . . 0 N--CA 1.464 0.262 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.28 176.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 . . . . . 0 N--CA 1.447 -0.589 0 CA-C-O 120.637 0.256 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -83.95 -39.13 20.14 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -178.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 pp -68.19 -16.72 64.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.028 178.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.7 m -70.64 -38.28 73.84 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.04 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.407 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -79.13 -29.15 42.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.051 178.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -68.71 -25.01 64.55 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.022 178.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.87 -33.43 75.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.639 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -82.48 -35.61 27.28 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 8' ' ' ALA . 93.2 mt -60.99 -45.41 94.92 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.833 177.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -66.72 -38.94 87.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.785 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -57.28 -46.04 83.49 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.544 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.6 mt -74.3 -30.51 62.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -73.23 -37.21 66.46 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.046 0.451 . . . . 0.0 110.257 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -75.8 -16.91 60.03 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.046 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -87.04 -44.23 11.73 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.521 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 66.57 105.53 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.844 0.858 . . . . 0.0 111.487 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -67.31 -29.05 68.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.92 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -61.68 -44.72 96.41 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.171 0.51 . . . . 0.0 110.074 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -65.75 -27.37 68.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.691 -177.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.81 -27.37 61.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.333 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -79.98 -49.21 12.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.946 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.8 mp -62.53 -34.84 77.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.619 178.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -66.07 -46.12 78.9 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -58.01 -48.1 81.04 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.814 -1.084 . . . . 0.0 110.971 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.8 tp -74.05 -30.03 62.2 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.979 -177.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -80.79 -29.45 36.1 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.274 -176.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.461 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 77.3 p -89.4 -8.08 53.84 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.748 -178.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 30' ' ' SER . 4.2 mm-40 71.56 30.21 2.49 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-O 121.283 0.564 . . . . 0.0 110.214 -176.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.0 tpp180 -73.63 81.15 1.52 Allowed 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.818 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.417 ' HE2' ' CD ' ' A' ' 31' ' ' GLU . 83.8 m-70 -79.29 -179.31 6.68 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.706 -0.621 . . . . 0.0 110.389 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.642 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 4.0 p-10 -69.72 -32.84 71.64 Favored 'General case' 0 CA--C 1.518 -0.259 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.084 -176.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -55.55 -37.91 68.6 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -66.7 -40.05 88.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.858 0.361 . . . . 0.0 110.656 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -70.14 -36.49 74.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.265 179.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.642 ' HG2' ' O ' ' A' ' 34' ' ' ASP . 33.4 mmtp -63.81 -46.36 85.5 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -65.0 -31.93 73.41 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.503 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.06 -26.73 68.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.056 0.455 . . . . 0.0 110.353 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.432 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 40.0 tt0 -88.34 -50.65 6.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.338 178.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.0 mtm180 -63.17 -31.86 73.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.026 -178.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -68.14 -33.73 75.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.006 0.431 . . . . 0.0 109.946 177.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.85 -25.58 56.35 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.092 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.447 ' O ' HD22 ' A' ' 49' ' ' LEU . 88.5 mt -70.3 -28.44 65.18 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.313 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -82.54 -36.32 26.44 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.01 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -69.66 -30.86 68.64 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.205 0.526 . . . . 0.0 109.634 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -62.5 -36.68 83.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.462 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.447 HD22 ' O ' ' A' ' 45' ' ' LEU . 4.3 mm? -88.39 -35.78 16.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.211 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.48 -37.16 79.87 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.656 0.265 . . . . 0.0 111.524 -179.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 C--N 1.325 -0.463 0 CA-C-O 121.061 0.458 . . . . 0.0 110.005 178.63 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -161.22 -162.35 0.9 Allowed 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -177.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.4 tp 66.18 16.82 10.58 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.48 0.657 . . . . 0.0 111.054 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.3 t -105.01 -171.64 1.95 Allowed 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 61.53 12.9 4.74 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 120.947 0.403 . . . . 0.0 111.83 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -64.14 -36.3 83.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.504 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.6 -25.81 64.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -79.02 -46.85 17.33 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.2 tp -60.77 -44.05 97.27 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.713 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -68.91 -33.71 74.21 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.226 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -68.15 -52.42 34.85 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.246 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.04 -29.89 71.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.804 -178.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -78.11 -33.82 50.38 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -89.47 -29.92 18.66 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.629 -0.429 . . . . 0.0 111.105 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -68.65 -47.89 65.39 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 60.34 -164.09 0.23 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.779 177.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -112.78 -174.9 2.55 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.424 ' H ' ' CD ' ' A' ' 21' ' ' GLU . 1.1 mp0 -69.18 -25.7 64.47 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.145 0.498 . . . . 0.0 110.566 -178.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -62.02 -30.02 70.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.82 -176.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.72 -25.93 62.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.912 0.387 . . . . 0.0 110.834 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -88.38 -52.42 5.21 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.99 0.424 . . . . 0.0 110.747 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.96 -33.72 74.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.655 -175.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -71.67 -37.19 70.81 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.962 -178.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 27' ' ' ARG . 50.9 mtm180 -67.68 -43.31 80.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.83 0.348 . . . . 0.0 110.333 178.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 73.7 mt -68.59 -26.43 65.38 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -73.93 -19.88 60.55 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.349 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.3 p -78.06 -9.85 59.34 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.158 -179.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 61.18 56.74 2.64 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.549 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.9 tpt180 -60.11 -22.61 63.01 Favored 'General case' 0 C--N 1.346 0.438 0 CA-C-O 120.725 0.298 . . . . 0.0 111.003 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -60.1 -20.81 60.04 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.836 178.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -59.73 -30.64 68.96 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.679 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -68.87 -31.47 70.43 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.1 0.476 . . . . 0.0 109.937 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -77.45 -44.81 27.73 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.708 177.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -57.54 -47.5 81.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.13 177.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -63.75 -30.81 71.87 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.79 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -63.12 -38.93 93.14 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.041 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.69 -30.81 18.84 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.588 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -75.93 -39.0 57.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.622 -177.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.6 ttp-105 -58.8 -41.77 87.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.103 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -65.57 -30.35 71.08 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.566 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.401 ' O ' ' HG3' ' A' ' 48' ' ' LYS . . . -67.97 -31.86 71.88 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.737 -179.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.8 tp -89.92 -31.59 17.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.629 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -74.21 -34.6 63.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.997 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -67.97 -27.79 66.89 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.622 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 44' ' ' ALA . 99.4 mttt -71.4 -18.99 62.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.051 0.453 . . . . 0.0 109.997 177.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.3 mt -89.32 -46.16 8.96 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.904 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.72 -41.52 23.45 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.8 t70 . . . . . 0 C--O 1.237 0.421 0 CA-C-O 121.159 0.504 . . . . 0.0 110.142 -179.691 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 . . . . . 0 CA--C 1.546 0.791 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -87.43 -16.24 35.42 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.987 0.423 . . . . 0.0 111.144 -178.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 pp -156.31 174.12 15.87 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.134 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.4 p -104.48 -22.22 13.33 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 120.834 0.349 . . . . 0.0 110.266 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 68.5 4.63 4.38 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.785 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -109.94 -22.6 11.77 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.6 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.88 -28.3 69.94 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.373 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -78.77 -23.64 45.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.226 0.536 . . . . 0.0 110.146 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.8 mt -85.51 -19.47 31.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.37 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -55.23 -28.81 55.83 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.026 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -61.42 -41.31 96.97 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.064 0.459 . . . . 0.0 110.47 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.2 tp -66.84 -27.65 67.71 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.081 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -83.35 -50.99 7.8 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.317 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -59.9 -36.23 76.55 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.943 -177.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -86.25 -7.54 58.44 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.933 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 55.84 31.06 16.96 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.931 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -60.23 -38.82 84.6 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.648 -178.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -65.31 -40.94 94.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.896 0.379 . . . . 0.0 110.26 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.96 -36.01 82.16 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.175 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.29 -23.83 61.25 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 121.02 0.438 . . . . 0.0 110.584 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -77.53 -56.92 4.13 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.872 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.458 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 9.8 mp -66.66 -31.62 72.41 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.522 -177.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -61.11 -45.43 94.71 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.017 0.437 . . . . 0.0 110.915 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.572 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 62.4 mtt180 -70.23 -19.94 63.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.902 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.3 mt -82.71 -23.59 34.01 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.098 0.475 . . . . 0.0 109.778 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 98.4 mttt -85.54 -27.11 25.78 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.795 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.1 p -71.12 -42.87 68.66 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.068 0.461 . . . . 0.0 110.176 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' A' ' 27' ' ' ARG . 6.6 mm-40 -73.95 -8.54 56.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.271 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -77.0 -6.11 51.37 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.034 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 38.0 m-70 -88.2 22.8 2.32 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.895 178.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -72.44 171.51 12.16 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.391 -178.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -62.84 -20.5 65.14 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 -177.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -53.45 -46.12 69.77 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.353 178.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 87.4 tttt -72.35 -43.53 63.93 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.52 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -58.27 -41.88 85.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.645 -178.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -62.75 -34.5 77.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.053 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.96 -29.76 58.41 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.845 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 45.8 mt-10 -71.58 -46.49 59.16 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.073 0.463 . . . . 0.0 109.77 178.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.2 ttt-85 -64.97 -39.06 92.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.094 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -70.87 -28.71 64.77 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.656 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.8 -27.2 64.69 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.885 0.374 . . . . 0.0 110.641 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.8 mt -82.81 -27.78 30.68 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.128 0.49 . . . . 0.0 109.789 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -85.44 -23.31 27.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.852 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.5 -32.07 71.09 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.313 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -71.76 -32.93 68.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.132 0.491 . . . . 0.0 110.302 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.2 tp -75.56 -44.07 45.21 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.293 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.49 -23.19 62.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.759 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.0 t70 . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.209 179.616 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 CA--C 1.549 0.915 0 CA-C-O 120.798 0.332 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -96.01 -33.82 11.99 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 176.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 73.6 mt -138.47 -47.75 0.52 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.066 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.9 m 58.68 -87.43 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.487 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -158.01 20.35 0.25 Allowed 'General case' 0 C--O 1.239 0.513 0 CA-C-O 120.797 0.332 . . . . 0.0 110.875 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -69.39 -29.11 66.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.33 -178.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.92 -27.08 61.65 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.31 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -72.43 -48.99 36.84 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.81 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.4 tp -61.51 -38.03 85.85 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.407 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -58.81 -45.55 89.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.554 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -65.42 -43.95 88.93 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.927 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.451 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 87.3 mt -63.7 -34.53 78.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -75.78 -21.83 57.0 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.672 0.272 . . . . 0.0 111.385 -177.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -64.46 -24.67 67.7 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 120.896 0.379 . . . . 0.0 111.08 179.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -101.84 -1.05 33.07 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.244 0.545 . . . . 0.0 110.352 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 96.9 mtt180 -114.08 90.39 3.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.147 -179.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -95.38 29.62 2.48 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.441 -177.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.62 -44.45 93.45 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.482 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -71.09 -24.94 62.4 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.342 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.16 -29.83 48.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.853 0.359 . . . . 0.0 110.532 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -77.35 -44.71 28.45 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 120.99 0.424 . . . . 0.0 109.888 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.2 tp -62.66 -27.61 69.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.13 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -74.84 -36.48 62.37 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.1 ttp85 -68.35 -47.69 66.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.871 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.7 mt -66.96 -23.84 66.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.621 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.2 tttm -68.95 -34.96 76.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.553 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.3 t -90.73 -33.78 15.63 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.274 177.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -95.19 65.8 2.86 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.672 -177.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 33' ' ' HIS . 1.5 tmt_? -69.71 -24.53 63.58 Favored 'General case' 0 C--N 1.343 0.312 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 177.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.463 ' HB2' ' O ' ' A' ' 32' ' ' ARG . 54.0 m80 82.95 173.64 0.09 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.577 1.151 . . . . 0.0 111.911 179.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -178.37 159.23 1.19 Allowed 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.532 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 56.5 t-80 71.78 -58.2 0.59 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.013 0.525 . . . . 0.0 111.576 -178.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.41 ' OD2' ' HB3' ' A' ' 33' ' ' HIS . 6.6 p-10 -55.79 -40.38 72.6 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 120.998 0.427 . . . . 0.0 110.81 -179.265 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -73.99 -45.94 46.88 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.681 178.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -61.82 -51.94 66.2 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -176.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 35' ' ' HIS . 22.7 mm-40 -62.15 -33.67 74.94 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.631 0.253 . . . . 0.0 111.529 -176.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.44 -28.07 23.75 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.799 0.333 . . . . 0.0 111.323 -178.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -75.82 -32.53 59.87 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -63.94 -33.32 75.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.394 177.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -69.12 -37.64 78.45 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.705 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.85 -28.84 67.9 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 120.896 0.379 . . . . 0.0 110.704 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.2 mt -80.78 -18.81 46.4 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.728 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -85.74 -32.07 22.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.842 -178.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -66.02 -26.29 67.45 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.056 0.455 . . . . 0.0 110.248 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -66.46 -32.3 73.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.815 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.0 tp -69.42 -40.6 77.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.083 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.87 -26.39 63.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.851 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.7 t70 . . . . . 0 C--O 1.237 0.422 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.191 178.739 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 121.184 0.516 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -121.09 30.5 6.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.803 -178.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.32 -17.04 63.29 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.305 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.0 m -71.85 -17.51 62.13 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.471 0.653 . . . . 0.0 109.849 176.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.419 ' HA ' ' OE1' ' A' ' 11' ' ' GLU . . . -108.9 24.64 12.82 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.69 178.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -55.8 -41.14 73.69 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.906 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.95 -31.27 70.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.778 0.323 . . . . 0.0 110.785 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.419 ' OE1' ' HA ' ' A' ' 8' ' ' ALA . 1.4 mp0 -75.78 -40.25 55.52 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.8 mt -61.85 -44.06 97.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.272 178.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -68.05 -40.21 82.86 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.87 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -61.16 -43.84 98.26 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-O 120.862 0.363 . . . . 0.0 110.133 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.3 tp -66.48 -31.57 72.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.696 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -74.38 -37.73 63.35 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 120.927 0.394 . . . . 0.0 110.308 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -77.1 -30.81 55.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.594 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -69.35 -32.94 72.34 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.19 0.519 . . . . 0.0 109.661 178.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 75.4 mtp85 -82.55 80.1 8.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.12 176.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 -87.25 -7.1 58.24 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.644 -179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.535 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 34.3 mt-10 -55.05 -50.99 67.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.762 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.525 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 45.1 mt-10 -64.39 -29.38 70.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.076 -177.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.71 -26.57 64.41 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.098 0.475 . . . . 0.0 110.268 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -86.92 -34.05 19.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.787 177.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.552 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 88.6 mt -65.43 -35.92 82.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.31 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 45.9 mt-10 -63.21 -35.41 80.24 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.104 0.478 . . . . 0.0 110.258 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 35.8 ttm105 -69.37 -40.42 77.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.581 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.4 tp -65.74 -28.74 69.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.241 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.552 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 56.0 mtpt -79.68 -21.76 44.28 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.133 178.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.5 m -77.27 -26.34 52.32 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -79.81 -14.67 58.52 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.126 177.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.453 ' HG2' ' ND1' ' A' ' 33' ' ' HIS . 39.2 ttm180 -61.41 134.1 56.53 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.73 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.453 ' ND1' ' HG2' ' A' ' 32' ' ' ARG . 71.2 m80 68.55 4.6 4.39 Favored 'General case' 0 C--N 1.366 1.314 0 C-N-CA 122.679 0.391 . . . . 0.0 111.707 -177.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -116.71 -19.6 9.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.889 0.376 . . . . 0.0 110.612 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -52.84 -43.21 65.86 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.571 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -61.15 -30.47 70.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.209 -178.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -70.01 -45.05 68.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.167 178.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -68.76 -34.83 76.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.805 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -67.65 -35.38 78.78 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.746 0.308 . . . . 0.0 110.446 177.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.29 -24.8 57.57 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.143 0.497 . . . . 0.0 109.661 178.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -72.37 -45.22 60.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.364 -0.834 . . . . 0.0 108.91 178.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -63.91 -49.99 70.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.929 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -59.3 -31.81 69.47 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.612 -176.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.57 -31.74 73.09 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 120.777 0.322 . . . . 0.0 110.893 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.3 mt -91.07 -30.93 16.48 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 120.991 0.424 . . . . 0.0 110.244 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -69.68 -34.79 74.44 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.466 -175.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -68.04 -25.38 65.34 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.747 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -78.28 -57.75 3.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.82 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.41 -16.56 64.3 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -175.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.12 -40.54 37.81 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.393 -0.523 . . . . 0.0 111.229 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 . . . . . 0 CA--C 1.511 -0.537 0 CA-C-O 120.955 0.407 . . . . 0.0 111.324 179.856 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 . . . . . 0 CA--C 1.551 1.004 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -85.11 48.66 1.6 Allowed 'General case' 0 CA--C 1.536 0.418 0 O-C-N 122.156 -0.34 . . . . 0.0 111.85 -177.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.8 tp -65.41 -53.68 39.61 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.085 0.469 . . . . 0.0 110.222 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.6 p -107.7 177.32 4.86 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.524 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -118.48 20.43 13.02 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 121.135 0.493 . . . . 0.0 110.832 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -63.55 -30.27 71.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.804 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.31 -29.18 62.52 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.58 178.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -73.83 -43.35 59.0 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.7 mt -60.68 -40.86 93.7 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.327 177.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -58.63 -41.34 85.73 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.601 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.462 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 34.3 ttm105 -69.63 -48.78 58.78 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.063 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.67 -24.26 67.71 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -72.98 -28.61 62.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.087 178.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -89.92 -32.82 16.67 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.811 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 41.4 mt-10 -78.13 -65.84 0.92 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.726 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.3 mtm-85 59.24 22.27 10.51 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.317 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.428 ' O ' ' HG3' ' A' ' 24' ' ' GLU . 52.0 m80 -83.91 0.37 48.07 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -176.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.491 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 47.1 mt-10 -55.43 -57.13 13.14 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.014 0.435 . . . . 0.0 110.822 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -68.41 -24.44 64.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.314 -178.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.25 -30.95 69.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.978 0.418 . . . . 0.0 110.099 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.524 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 42.3 mt-10 -80.87 -38.49 28.04 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 177.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.503 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 88.2 mt -62.46 -35.97 81.0 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.286 -179.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -60.7 -41.6 95.52 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.952 0.406 . . . . 0.0 110.268 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -64.73 -40.11 94.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.157 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 24' ' ' GLU . 42.5 mt -73.04 -28.86 62.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.299 -178.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.503 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 73.8 mmtt -82.86 -27.52 30.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.909 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.7 m -89.18 -28.71 19.82 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.175 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -131.83 122.75 26.25 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.725 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -90.56 72.67 6.86 Favored 'General case' 0 N--CA 1.435 -1.181 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 176.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.517 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 11.6 p80 -53.73 -19.0 3.59 Favored 'General case' 0 C--N 1.362 1.116 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -178.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 t70 57.42 33.51 23.39 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.613 0.765 . . . . 0.0 112.34 175.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 73.84 -36.58 0.34 Allowed 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 175.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -54.26 -49.09 70.34 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -177.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.549 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 53.3 mtpt -61.08 -35.9 78.21 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.64 -179.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -66.56 -37.89 85.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.937 0.398 . . . . 0.0 110.729 -178.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -69.25 -28.82 66.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.408 177.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.11 -23.78 60.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.285 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 69.4 mt-10 -72.32 -53.96 10.88 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.772 178.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -66.8 -44.69 80.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.75 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -60.95 -43.48 98.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.811 -178.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.38 -27.1 46.77 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.747 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.3 tp -73.89 -39.3 63.99 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.151 -178.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -86.04 -28.18 24.3 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.181 -178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -68.57 -36.29 78.55 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.443 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -80.24 -27.33 38.71 Favored 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.051 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.1 tp -70.0 -33.34 71.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.01 0.433 . . . . 0.0 110.355 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.06 -23.92 24.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 178.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.9 t70 . . . . . 0 N--CA 1.469 0.516 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.361 -179.779 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 . . . . . 0 CA--C 1.549 0.926 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -91.32 9.81 29.96 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 118.429 0.559 . . . . 0.0 111.208 -178.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.5 mt -105.06 -164.4 1.04 Allowed 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 176.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 45.0 p -96.27 174.95 6.63 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.505 -0.478 . . . . 0.0 109.923 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.95 -27.53 49.31 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 120.397 -0.521 . . . . 0.0 109.955 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -72.91 -31.24 64.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.333 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.57 -32.48 72.43 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.354 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -75.23 -42.5 55.19 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.993 0.425 . . . . 0.0 110.247 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.3 mt -64.99 -38.58 91.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.862 178.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -65.14 -41.84 94.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.426 178.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -56.46 -50.35 71.98 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.744 178.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.9 mt -67.55 -27.67 67.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.683 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -82.81 -38.55 22.95 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.887 0.375 . . . . 0.0 110.775 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -69.63 -30.13 67.78 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -75.83 -15.72 60.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.125 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 71.73 124.39 0.03 OUTLIER 'General case' 0 C--N 1.343 0.286 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.004 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -70.15 -49.29 51.99 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.616 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 70.27 -59.15 0.53 Allowed 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 177.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -62.47 -28.13 69.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.525 0.203 . . . . 0.0 111.179 -176.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.94 -28.48 68.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.023 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -86.86 -37.81 17.36 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 75.9 mt -71.01 -32.06 68.74 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.035 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -76.05 -39.72 54.93 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 177.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -62.07 -34.39 76.18 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.096 -0.957 . . . . 0.0 109.882 178.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.9 tp -61.04 -31.46 71.1 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.234 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -72.47 -28.66 63.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.341 . . . . 0.0 110.459 -178.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.7 m -91.06 -26.75 19.01 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.073 0.463 . . . . 0.0 110.587 177.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -73.03 -33.97 66.05 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.174 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -94.92 163.25 13.41 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -97.37 172.59 7.67 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 118.978 0.808 . . . . 0.0 110.262 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -136.72 106.13 6.09 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.452 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 10.8 t-80 -162.74 -46.16 0.04 OUTLIER 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.919 -177.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -57.64 -36.94 72.51 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.111 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -60.61 -44.51 96.23 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.925 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 41' ' ' GLU . 49.0 tttm -74.59 -23.18 58.7 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.603 -178.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 35' ' ' HIS . 46.9 mt-10 -69.4 -30.8 68.85 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 175.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.98 -20.33 52.84 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.422 ' HB3' ' O ' ' A' ' 38' ' ' LYS . 1.5 tm-20 -71.59 -46.05 60.39 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 175.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.11 -47.16 84.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.964 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -63.06 -29.75 71.06 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.383 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.59 -26.58 68.06 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.792 0.33 . . . . 0.0 111.07 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.3 tp -84.35 -29.93 25.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.043 179.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -75.12 -36.16 61.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.769 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -71.16 -28.71 64.45 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 120.867 0.365 . . . . 0.0 110.761 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -83.82 -42.54 16.34 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.588 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.9 tp -62.45 -25.88 68.21 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.028 0.442 . . . . 0.0 110.885 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.7 -18.46 37.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.95 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.0 t70 . . . . . 0 C--N 1.324 -0.533 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.258 179.038 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.227 0 N-CA-C 111.982 -0.447 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -123.4 19.34 9.72 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.422 0.629 . . . . 0.0 109.418 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.9 t -57.88 -29.32 35.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.367 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -55.66 -29.87 60.04 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.271 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -82.04 -44.5 16.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.708 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.44 -44.02 92.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.338 -178.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.433 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 14.0 t -68.02 -20.23 64.98 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.38 -178.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.65 -30.16 70.35 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.701 0.286 . . . . 0.0 111.001 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -84.25 -26.14 28.88 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 120.961 0.41 . . . . 0.0 110.14 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.15 -31.65 49.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.318 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.433 ' HG2' ' O ' ' A' ' 7' ' ' THR . 16.8 mm-40 -76.47 -36.92 57.61 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.018 0.437 . . . . 0.0 109.827 178.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.1 tp -64.49 -33.21 75.37 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.585 177.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -69.4 -27.79 65.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.623 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -64.79 -34.94 79.54 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 120.996 0.427 . . . . 0.0 110.105 177.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.1 mt -68.23 -24.87 64.96 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.121 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -79.92 -16.09 55.99 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.637 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -90.83 -32.7 15.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.993 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -70.03 -55.27 9.97 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-O 120.726 0.298 . . . . 0.0 110.672 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.4 mtm-85 63.97 174.83 0.18 Allowed 'General case' 0 C--O 1.238 0.481 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 175.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -129.81 -14.57 4.01 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.253 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -54.45 -49.18 70.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.864 -178.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -66.89 -29.93 69.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.787 0.327 . . . . 0.0 111.095 -177.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.86 -21.85 37.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.112 0.482 . . . . 0.0 110.663 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -85.67 -40.46 16.14 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 96.8 mt -69.98 -26.48 64.11 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.766 179.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -60.88 -34.08 74.08 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.252 0.548 . . . . 0.0 110.202 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -69.24 -46.22 67.86 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.343 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.7 tp -73.69 -25.15 60.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.716 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -66.82 -22.29 66.01 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.797 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.9 t -73.96 -26.62 60.58 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 56.09 29.46 14.61 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.349 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.423 ' HA ' ' ND1' ' A' ' 35' ' ' HIS . 53.6 mtp85 68.85 14.47 8.92 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.428 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -71.76 -24.49 61.77 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -70.28 -21.9 62.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.164 177.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.423 ' ND1' ' HA ' ' A' ' 32' ' ' ARG . 59.9 m80 -73.79 -33.9 64.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.537 177.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -66.25 -30.55 71.02 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.47 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -57.67 -42.19 83.1 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.762 177.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -71.44 -26.66 62.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.501 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -73.57 -25.48 60.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.892 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.77 -28.42 68.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.628 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.464 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -73.25 -34.74 66.02 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.029 0.442 . . . . 0.0 110.038 176.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.9 mmt-85 -72.35 -44.17 62.99 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -61.44 -34.33 75.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.856 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.66 -23.17 65.3 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.803 0.335 . . . . 0.0 111.095 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 86.3 mt -73.38 -33.95 65.3 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.428 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -87.38 -31.38 20.14 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.21 -32.06 73.54 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.722 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -88.72 -42.85 11.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.684 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.03 -44.61 92.03 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.589 -177.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.83 -21.02 59.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.532 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.31 -45.31 19.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.799 0.333 . . . . 0.0 110.768 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 49.3 tttt -66.37 -60.57 2.63 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.146 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 43.69 27.67 0.18 Allowed 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.604 1.162 . . . . 0.0 113.785 177.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 53.88 32.65 15.55 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.459 0.304 . . . . 0.0 111.199 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 34.5 t60 60.89 42.84 12.5 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.165 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.479 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 42.1 tp 68.6 19.7 8.55 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 121.258 0.551 . . . . 0.0 110.041 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 68.0 20.57 9.09 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.561 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.24 42.16 1.64 Allowed Glycine 0 N--CA 1.468 0.814 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.548 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.81 0.88 42.43 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.846 0.323 . . . . 0.0 110.566 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.409 ' O ' HG12 ' A' ' 63' ' ' ILE . 3.7 mm? 63.07 26.27 15.33 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.007 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -97.41 -19.92 18.14 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.216 0.531 . . . . 0.0 110.768 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -82.87 0.72 42.83 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.814 -177.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.409 HG12 ' O ' ' A' ' 60' ' ' LEU . 38.6 pt -94.26 -173.68 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.901 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -76.34 72.12 3.06 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.732 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -60.32 -48.05 83.41 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 120.734 0.302 . . . . 0.0 111.779 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -60.77 -35.75 77.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.05 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.408 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 27.8 tt0 -72.89 -20.06 61.16 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.123 0.487 . . . . 0.0 110.682 -178.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.78 -25.02 59.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.465 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -93.2 -53.87 3.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.999 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' A' ' 67' ' ' GLU . 16.0 ttm180 -129.98 126.59 38.14 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 177.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -88.42 -6.21 57.8 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 118.672 0.669 . . . . 0.0 111.122 -176.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 63.39 26.17 14.86 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.08 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -74.43 -18.44 60.65 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.342 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -71.64 -18.75 62.18 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.537 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.81 -166.42 1.5 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -72.2 -34.32 68.29 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.017 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.062 -0.97 . . . . 0.0 111.31 -179.323 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.432 0 N-CA-C 111.934 -0.467 . . . . 0.0 111.934 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 m 63.02 83.16 0.16 Allowed 'General case' 0 C--O 1.236 0.381 0 C-N-CA 122.96 0.504 . . . . 0.0 111.143 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.3 m -86.49 -25.45 6.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.82 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -78.59 -76.6 0.19 Allowed 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.9 tttp 53.52 28.58 7.89 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.881 176.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.5 mt -70.13 -31.3 68.76 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 120.868 0.366 . . . . 0.0 110.615 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.468 ' C ' ' H ' ' A' ' 9' ' ' ASP . 24.6 p -84.52 -27.57 27.3 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.15 0.5 . . . . 0.0 109.653 176.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.478 ' C ' ' H ' ' A' ' 10' ' ' ALA . . . 68.99 -12.67 0.38 Allowed 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 115.208 -0.905 . . . . 0.0 112.622 177.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.468 ' H ' ' C ' ' A' ' 7' ' ' THR . 59.5 m-20 70.94 -25.1 0.17 Allowed 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.704 0.801 . . . . 0.0 112.236 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.478 ' H ' ' C ' ' A' ' 8' ' ' ALA . . . -63.93 -25.23 68.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.342 -179.378 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -64.52 -29.18 70.22 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.695 0.283 . . . . 0.0 110.922 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.5 tp -74.83 -40.64 60.95 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -61.27 -44.15 97.71 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.024 178.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.547 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 60.7 mtp180 -65.22 -45.77 83.37 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.444 178.462 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.0 tp -58.86 -31.8 68.86 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.907 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -60.92 -45.11 95.98 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.42 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . 80.4 m-20 -73.27 -33.7 65.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.845 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 11.2 mm-40 -61.71 -37.44 84.19 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 121.407 0.623 . . . . 0.0 110.473 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -89.3 -2.28 58.39 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.086 -177.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.9 m170 -102.9 -47.57 4.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.892 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 65.91 -60.71 0.29 Allowed 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 123.831 0.852 . . . . 0.0 112.892 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -69.63 -27.97 65.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.911 0.386 . . . . 0.0 110.593 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.626 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -68.5 -25.16 64.82 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.888 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.42 ' HG2' ' HB3' ' A' ' 17' ' ' ASN . 40.2 mt-10 -66.66 -39.39 88.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.209 0.528 . . . . 0.0 110.096 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.7 mt -72.33 -20.6 61.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.598 178.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -86.44 -41.93 14.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.813 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.626 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 22.9 mtp180 -59.12 -34.12 71.66 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.25 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.7 tp -65.5 -26.39 67.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.975 0.416 . . . . 0.0 110.705 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 78.9 mttt -87.32 -29.94 21.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.018 0.437 . . . . 0.0 110.182 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.2 t -90.39 -32.25 16.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.18 -176.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -94.07 18.0 11.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.156 0.503 . . . . 0.0 111.02 -176.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.459 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 2.9 ptp180 -77.65 -8.15 57.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.666 178.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -114.71 170.83 8.03 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.432 ' CG ' ' HZ1' ' A' ' 38' ' ' LYS . 28.6 t70 -171.41 -33.06 0.02 OUTLIER 'General case' 0 C--N 1.343 0.304 0 CA-C-O 120.755 0.312 . . . . 0.0 111.409 -178.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.525 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 72.4 m80 -66.32 -49.71 66.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.561 -177.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -57.04 -37.02 71.18 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.63 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -64.92 -51.69 60.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.448 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.432 ' HZ1' ' CG ' ' A' ' 34' ' ' ASP . 54.7 mttp -61.93 -36.56 81.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.406 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 35' ' ' HIS . 49.9 mt-10 -61.73 -32.31 72.53 Favored 'General case' 0 C--O 1.227 -0.112 0 CA-C-O 120.681 0.276 . . . . 0.0 110.593 178.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.72 -34.97 27.08 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.833 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -67.71 -41.85 82.89 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.964 0.412 . . . . 0.0 110.556 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -64.78 -50.93 64.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.616 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -65.33 -31.81 73.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.686 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.73 -20.68 61.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.963 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.6 tp -89.65 -35.56 15.75 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.809 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -70.91 -28.89 64.86 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.722 0.296 . . . . 0.0 110.524 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -66.87 -34.88 78.77 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -74.21 -31.95 62.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.942 0.401 . . . . 0.0 110.658 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.3 tp -75.35 -23.5 57.22 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.933 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.82 -16.17 57.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.961 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -86.51 -45.69 10.87 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.777 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -77.81 -6.17 53.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.696 -175.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -170.72 -171.72 1.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.71 112.96 24.93 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -179.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -138.16 19.56 2.79 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.539 -177.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 99.4 mt -104.58 -40.08 6.15 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.063 0.459 . . . . 0.0 110.333 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -99.97 -51.82 3.59 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.11 15.85 3.03 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.071 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 55.3 26.26 8.38 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 121.189 0.519 . . . . 0.0 111.245 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.5 tp -107.19 129.56 54.84 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.965 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -76.22 -177.1 3.85 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.627 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -116.97 -15.75 10.58 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.457 -177.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 9.6 tt -73.28 85.88 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 CA-C-O 121.57 0.7 . . . . 0.0 109.62 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -78.57 -15.52 58.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.743 -177.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -79.68 156.62 27.49 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.199 0.523 . . . . 0.0 111.676 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 66' ' ' LYS . 36.5 ttmt -96.57 -0.02 49.37 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.499 178.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 65.06 37.26 6.85 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.565 -177.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.441 ' O ' ' HG2' ' A' ' 72' ' ' GLU . . . -53.86 -35.12 61.18 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -176.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -73.19 -25.67 60.87 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.176 0.512 . . . . 0.0 110.476 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -78.75 -23.35 45.43 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.797 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -89.33 -3.68 58.39 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.759 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 47.3 mm-40 -99.37 157.12 16.63 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.96 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -61.09 -19.95 62.03 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 118.22 0.463 . . . . 0.0 110.917 177.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -63.81 -6.75 6.27 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.965 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.67 -19.92 44.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.731 0.3 . . . . 0.0 111.249 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -133.3 -36.55 0.99 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.422 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.521 -177.941 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.074 0 N-CA-C 111.659 -0.576 . . . . 0.0 111.659 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.1 m -72.1 -48.52 43.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.216 0.531 . . . . 0.0 109.627 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 84.3 t -82.98 -45.96 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.779 178.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -87.45 88.25 7.63 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.356 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 44.5 pttt -122.07 15.62 10.74 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.927 -0.483 . . . . 0.0 110.836 177.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.3 tp 55.99 29.32 14.15 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.166 175.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.2 m 63.44 20.02 12.02 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-O 121.261 0.553 . . . . 0.0 111.139 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.11 5.17 10.64 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.149 0.499 . . . . 0.0 110.966 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -69.42 -29.52 67.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.207 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.23 -22.63 63.84 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.48 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -78.41 -47.23 18.0 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.611 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.9 tp -58.96 -42.46 89.94 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.765 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -66.4 -38.34 87.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.846 178.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -63.68 -52.55 60.16 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.166 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.8 mp -65.03 -26.93 68.47 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -80.51 -33.35 36.49 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.804 0.335 . . . . 0.0 110.571 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -85.04 -34.54 22.27 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.574 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -76.9 -67.52 0.7 Allowed 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 65.4 -69.27 0.1 Allowed 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 172.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 50.1 p-80 -138.28 3.64 2.38 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.567 0.222 . . . . 0.0 111.535 -175.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -66.08 -48.27 71.54 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -176.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -71.57 -32.92 68.62 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.371 -177.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.97 -25.92 56.29 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.906 -0.317 . . . . 0.0 110.606 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -72.0 -52.0 19.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.002 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.9 tp -65.09 -30.77 71.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.562 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -72.46 -29.0 63.28 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.125 0.488 . . . . 0.0 109.759 178.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -69.96 -42.43 73.21 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.2 mt -66.55 -22.48 66.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.175 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -85.07 -31.96 23.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.08 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.3 m -77.52 -36.82 52.12 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.252 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -143.06 145.58 33.02 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 178.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -166.9 -33.8 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 118.233 0.47 . . . . 0.0 110.452 -175.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -123.41 -172.67 2.56 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.355 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -64.1 -27.06 68.84 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.823 -177.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -49.73 -36.69 26.47 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -177.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -67.04 -56.61 9.34 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.077 0.465 . . . . 0.0 112.118 -178.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -86.21 -18.23 32.71 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -173.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -63.27 -38.49 91.36 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.194 0.521 . . . . 0.0 109.671 176.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -75.27 -29.95 60.29 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.671 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.34 -27.43 59.2 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-O 121.077 0.465 . . . . 0.0 109.824 178.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -69.9 -42.85 72.83 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -62.82 -43.78 97.9 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.045 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -58.14 -36.53 73.1 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.009 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.17 -19.28 63.99 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.025 0.44 . . . . 0.0 110.701 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.1 tp -90.3 -36.69 14.54 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.777 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -81.93 -34.56 29.8 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -177.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.07 -32.13 68.73 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.223 177.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -75.17 -27.95 59.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 177.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.7 tp -68.81 -34.75 76.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.474 177.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.74 -26.0 61.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.788 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -67.62 -48.08 67.79 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.28 176.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.5 tttm 63.76 9.04 4.12 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.066 175.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 50.38 79.29 0.09 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.318 0.647 . . . . 0.0 111.33 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -61.39 99.11 0.1 Allowed 'General case' 0 C--N 1.344 0.357 0 CA-C-O 121.136 0.493 . . . . 0.0 110.191 178.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -101.14 -5.96 24.95 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.293 -177.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.434 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 31.4 tp -97.45 17.96 16.39 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.136 0.493 . . . . 0.0 110.97 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.5 p-10 -65.73 124.95 23.8 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.03 0.443 . . . . 0.0 109.871 178.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -129.0 -37.14 0.4 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.028 -1.082 . . . . 0.0 112.8 -178.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.18 -178.4 6.55 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.98 0.39 . . . . 0.0 110.298 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.0 mp -80.88 -59.6 2.61 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.503 ' HA ' ' O ' ' A' ' 65' ' ' GLU . 53.9 ttp180 48.14 70.47 0.44 Allowed 'General case' 0 CA--C 1.551 0.989 0 O-C-N 123.826 0.704 . . . . 0.0 111.295 176.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -63.28 -36.04 82.35 Favored 'General case' 0 C--N 1.344 0.358 0 O-C-N 122.021 -0.424 . . . . 0.0 111.694 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 14.0 tt -141.44 -37.93 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.571 -0.452 . . . . 0.0 112.114 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -149.89 -61.02 0.21 Allowed 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.395 -0.522 . . . . 0.0 112.261 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.503 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 38.0 mt-10 -106.9 -152.5 0.48 Allowed 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.101 -175.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.9 pttm -70.94 -27.6 63.87 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.091 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 59.6 19.18 7.75 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.601 0.761 . . . . 0.0 112.469 176.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.87 -23.73 61.56 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.933 0.397 . . . . 0.0 111.395 -177.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.25 0.94 35.21 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.505 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 70' ' ' ARG . 24.4 mtm180 -123.36 15.58 9.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.619 179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -116.04 -5.46 11.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.526 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.495 ' HG3' ' H ' ' A' ' 73' ' ' LYS . 10.8 tp10 66.4 -176.93 0.19 Allowed 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -176.297 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.495 ' H ' ' HG3' ' A' ' 72' ' ' GLU . 16.9 mttp -87.62 178.63 6.71 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 178.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -108.57 168.19 9.51 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 176.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 63.6 27.54 14.94 Favored 'General case' 0 C--N 1.358 0.975 0 CA-C-O 121.097 0.475 . . . . 0.0 110.441 -177.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -88.14 13.72 10.72 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.056 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.216 -178.911 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.318 0 N-CA-C 112.053 -0.419 . . . . 0.0 112.053 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.9 p -97.38 179.35 4.91 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.5 p -82.89 146.44 7.05 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 176.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -88.74 176.96 6.86 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 119.079 0.854 . . . . 0.0 110.683 -177.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -83.95 -39.13 20.14 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -178.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 pp -68.19 -16.72 64.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.028 178.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.7 m -70.64 -38.28 73.84 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.04 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.407 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -79.13 -29.15 42.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.051 178.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -68.71 -25.01 64.55 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.022 178.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.87 -33.43 75.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.639 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -82.48 -35.61 27.28 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 8' ' ' ALA . 93.2 mt -60.99 -45.41 94.92 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.833 177.289 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -66.72 -38.94 87.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.785 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -57.28 -46.04 83.49 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.544 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.6 mt -74.3 -30.51 62.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -73.23 -37.21 66.46 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.046 0.451 . . . . 0.0 110.257 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -75.8 -16.91 60.03 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.046 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -87.04 -44.23 11.73 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.521 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 66.57 105.53 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.844 0.858 . . . . 0.0 111.487 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -67.31 -29.05 68.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.92 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -61.68 -44.72 96.41 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.171 0.51 . . . . 0.0 110.074 178.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -65.75 -27.37 68.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.691 -177.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.81 -27.37 61.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.333 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -79.98 -49.21 12.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.946 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.8 mp -62.53 -34.84 77.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.619 178.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -66.07 -46.12 78.9 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -58.01 -48.1 81.04 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.814 -1.084 . . . . 0.0 110.971 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.8 tp -74.05 -30.03 62.2 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.979 -177.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -80.79 -29.45 36.1 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.274 -176.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.461 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 77.3 p -89.4 -8.08 53.84 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.748 -178.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' A' ' 30' ' ' SER . 4.2 mm-40 71.56 30.21 2.49 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-O 121.283 0.564 . . . . 0.0 110.214 -176.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.0 tpp180 -73.63 81.15 1.52 Allowed 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.818 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.417 ' HE2' ' CD ' ' A' ' 31' ' ' GLU . 83.8 m-70 -79.29 -179.31 6.68 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.706 -0.621 . . . . 0.0 110.389 179.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.642 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 4.0 p-10 -69.72 -32.84 71.64 Favored 'General case' 0 CA--C 1.518 -0.259 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.084 -176.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -55.55 -37.91 68.6 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -66.7 -40.05 88.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.858 0.361 . . . . 0.0 110.656 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -70.14 -36.49 74.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.265 179.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.642 ' HG2' ' O ' ' A' ' 34' ' ' ASP . 33.4 mmtp -63.81 -46.36 85.5 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -65.0 -31.93 73.41 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.503 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.06 -26.73 68.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.056 0.455 . . . . 0.0 110.353 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.432 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 40.0 tt0 -88.34 -50.65 6.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.338 178.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.0 mtm180 -63.17 -31.86 73.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.026 -178.045 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -68.14 -33.73 75.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.006 0.431 . . . . 0.0 109.946 177.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.85 -25.58 56.35 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.092 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.447 ' O ' HD22 ' A' ' 49' ' ' LEU . 88.5 mt -70.3 -28.44 65.18 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.313 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -82.54 -36.32 26.44 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.01 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -69.66 -30.86 68.64 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.205 0.526 . . . . 0.0 109.634 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -62.5 -36.68 83.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.462 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.447 HD22 ' O ' ' A' ' 45' ' ' LEU . 4.3 mm? -88.39 -35.78 16.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.211 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.48 -37.16 79.87 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.656 0.265 . . . . 0.0 111.524 -179.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -90.35 -15.92 30.18 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.061 0.458 . . . . 0.0 110.005 178.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.431 ' C ' ' H ' ' A' ' 54' ' ' GLU . 60.9 mttp 60.6 34.12 20.25 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.457 -176.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -75.98 19.45 0.22 Allowed 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.993 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.431 ' H ' ' C ' ' A' ' 52' ' ' LYS . 28.8 mt-10 -79.89 63.48 4.44 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.245 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -76.31 -8.66 57.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.218 0.532 . . . . 0.0 110.812 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.479 HD21 ' H ' ' A' ' 56' ' ' LEU . 2.6 pt? -82.21 13.43 3.49 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.586 177.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -72.09 -9.39 58.35 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.487 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -138.18 -174.13 13.27 Favored Glycine 0 CA--C 1.533 1.191 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 74.82 -36.14 0.31 Allowed 'General case' 0 N--CA 1.494 1.742 0 CA-C-N 118.395 1.098 . . . . 0.0 112.176 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.4 mt -74.65 -49.59 20.89 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 37.4 ttp-105 62.75 19.18 11.24 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.239 176.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 58.14 45.87 16.9 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.488 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.5 pt -82.03 -3.12 6.7 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 120.664 0.269 . . . . 0.0 111.275 178.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 76.73 -41.46 0.4 Allowed 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 173.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -69.57 -49.75 51.21 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -175.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -74.99 -25.42 58.82 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -174.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -84.21 -8.82 58.94 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 62.47 25.45 15.16 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 121.401 0.619 . . . . 0.0 110.184 -178.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -82.0 9.89 7.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.453 -177.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 27.7 ptt180 -68.83 -41.14 78.94 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.28 -0.568 . . . . 0.0 109.586 177.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp 54.04 38.23 28.52 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.541 178.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -79.81 -72.77 0.38 Allowed 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -176.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -160.89 38.81 0.15 Allowed 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 -177.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -47.48 -58.67 3.93 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 123.347 0.404 . . . . 0.0 111.645 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 47.11 29.43 1.12 Allowed 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 176.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -76.96 -26.64 54.22 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.897 -178.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 . . . . . 0 C--O 1.244 0.787 0 CA-C-O 118.402 -0.809 . . . . 0.0 110.579 178.527 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.189 0 N-CA-C 112.112 -0.395 . . . . 0.0 112.112 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 p -92.06 95.89 10.03 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 120.909 0.385 . . . . 0.0 110.501 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.425 HG22 ' H ' ' A' ' 4' ' ' GLU . 9.3 p -107.13 171.51 2.11 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.425 ' H ' HG22 ' A' ' 3' ' ' VAL . 5.9 mp0 -94.81 178.55 5.54 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 118.364 0.529 . . . . 0.0 110.314 -178.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -161.22 -162.35 0.9 Allowed 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -177.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.4 tp 66.18 16.82 10.58 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.48 0.657 . . . . 0.0 111.054 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.3 t -105.01 -171.64 1.95 Allowed 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 61.53 12.9 4.74 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 120.947 0.403 . . . . 0.0 111.83 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -64.14 -36.3 83.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.504 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.6 -25.81 64.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -79.02 -46.85 17.33 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.2 tp -60.77 -44.05 97.27 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.713 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -68.91 -33.71 74.21 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.226 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.8 ttp180 -68.15 -52.42 34.85 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.246 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.04 -29.89 71.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.804 -178.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -78.11 -33.82 50.38 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -89.47 -29.92 18.66 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.629 -0.429 . . . . 0.0 111.105 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -68.65 -47.89 65.39 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 60.34 -164.09 0.23 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.779 177.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -112.78 -174.9 2.55 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.424 ' H ' ' CD ' ' A' ' 21' ' ' GLU . 1.1 mp0 -69.18 -25.7 64.47 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.145 0.498 . . . . 0.0 110.566 -178.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -62.02 -30.02 70.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.82 -176.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.72 -25.93 62.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.912 0.387 . . . . 0.0 110.834 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -88.38 -52.42 5.21 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.99 0.424 . . . . 0.0 110.747 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.96 -33.72 74.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.655 -175.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -71.67 -37.19 70.81 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.962 -178.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 27' ' ' ARG . 50.9 mtm180 -67.68 -43.31 80.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.83 0.348 . . . . 0.0 110.333 178.491 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 73.7 mt -68.59 -26.43 65.38 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -73.93 -19.88 60.55 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.349 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.3 p -78.06 -9.85 59.34 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.158 -179.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 61.18 56.74 2.64 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.549 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.9 tpt180 -60.11 -22.61 63.01 Favored 'General case' 0 C--N 1.346 0.438 0 CA-C-O 120.725 0.298 . . . . 0.0 111.003 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -60.1 -20.81 60.04 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.836 178.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -59.73 -30.64 68.96 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.679 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -68.87 -31.47 70.43 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.1 0.476 . . . . 0.0 109.937 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -77.45 -44.81 27.73 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.708 177.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -57.54 -47.5 81.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.13 177.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -63.75 -30.81 71.87 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.79 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -63.12 -38.93 93.14 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.041 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.69 -30.81 18.84 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.588 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -75.93 -39.0 57.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.622 -177.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.6 ttp-105 -58.8 -41.77 87.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.103 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -65.57 -30.35 71.08 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.566 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.401 ' O ' ' HG3' ' A' ' 48' ' ' LYS . . . -67.97 -31.86 71.88 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.737 -179.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.8 tp -89.92 -31.59 17.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.629 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -74.21 -34.6 63.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.997 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -67.97 -27.79 66.89 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.622 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.442 ' O ' ' HA ' ' A' ' 52' ' ' LYS . 99.4 mttt -71.4 -18.99 62.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.051 0.453 . . . . 0.0 109.997 177.617 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.3 mt -89.32 -46.16 8.96 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.904 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.72 -41.52 23.45 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -90.01 -15.85 31.02 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.159 0.504 . . . . 0.0 110.142 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 48' ' ' LYS . 61.7 mttp 67.38 -170.22 0.19 Allowed 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.608 -178.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -126.98 38.89 4.02 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 122.256 -0.278 . . . . 0.0 111.604 -176.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.447 ' OE2' ' HD2' ' A' ' 61' ' ' ARG . 40.5 mt-10 74.66 142.67 0.07 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.363 0.665 . . . . 0.0 111.719 177.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -142.23 -39.43 0.36 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.744 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.9 mt -64.95 -59.07 4.57 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.905 0.383 . . . . 0.0 110.678 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -81.8 149.02 28.58 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.35 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -89.24 -29.53 16.93 Favored Glycine 0 C--N 1.315 -0.637 0 N-CA-C 110.521 -1.031 . . . . 0.0 110.521 176.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 55.76 -164.69 0.13 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.011 0.525 . . . . 0.0 111.604 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -121.22 33.87 5.4 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.447 ' HD2' ' OE2' ' A' ' 54' ' ' GLU . 25.8 mtp180 -62.13 -54.06 46.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.345 -177.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -69.03 -26.9 65.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.95 0.405 . . . . 0.0 110.736 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.7 mm -75.58 -30.9 22.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.59 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.8 t30 74.05 -47.16 0.64 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.257 1.023 . . . . 0.0 111.892 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -111.6 110.18 20.46 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.992 0.425 . . . . 0.0 111.367 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -79.08 -15.89 57.53 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.821 178.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -72.08 -25.06 61.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.196 -178.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 60.89 21.52 11.71 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -67.76 -41.25 83.63 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.26 0.552 . . . . 0.0 109.863 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.583 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 77.2 mtp180 -73.73 -24.82 59.95 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.074 178.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.1 tttm 62.26 12.27 5.05 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.859 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 62.24 19.19 10.79 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.062 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.583 ' HG2' ' O ' ' A' ' 70' ' ' ARG . 25.8 pttm -91.81 172.46 8.46 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.228 -176.228 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -127.17 -37.59 2.05 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 177.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.78 -157.34 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.694 174.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -90.28 -29.42 18.15 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.806 -0.357 . . . . 0.0 111.567 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 . . . . . 0 C--O 1.247 0.955 0 C-N-CA 123.135 0.574 . . . . 0.0 111.829 -179.527 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.466 0 N-CA-C 112.27 -0.332 . . . . 0.0 112.27 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 p -101.75 26.33 7.55 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -176.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.1 m -79.75 -5.19 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-O 120.977 0.418 . . . . 0.0 110.919 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -168.43 174.72 6.73 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -87.43 -16.24 35.42 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.987 0.423 . . . . 0.0 111.144 -178.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 pp -156.31 174.12 15.87 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.134 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.4 p -104.48 -22.22 13.33 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 120.834 0.349 . . . . 0.0 110.266 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 68.5 4.63 4.38 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.785 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -109.94 -22.6 11.77 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.6 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.88 -28.3 69.94 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.373 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -78.77 -23.64 45.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.226 0.536 . . . . 0.0 110.146 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.8 mt -85.51 -19.47 31.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.37 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -55.23 -28.81 55.83 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.026 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -61.42 -41.31 96.97 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.064 0.459 . . . . 0.0 110.47 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.2 tp -66.84 -27.65 67.71 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.081 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -83.35 -50.99 7.8 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.317 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -59.9 -36.23 76.55 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.943 -177.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -86.25 -7.54 58.44 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.933 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 55.84 31.06 16.96 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.931 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -60.23 -38.82 84.6 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.648 -178.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -65.31 -40.94 94.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.896 0.379 . . . . 0.0 110.26 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.96 -36.01 82.16 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.175 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.29 -23.83 61.25 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 121.02 0.438 . . . . 0.0 110.584 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -77.53 -56.92 4.13 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.872 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.458 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 9.8 mp -66.66 -31.62 72.41 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.522 -177.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -61.11 -45.43 94.71 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.017 0.437 . . . . 0.0 110.915 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.572 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 62.4 mtt180 -70.23 -19.94 63.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.902 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.3 mt -82.71 -23.59 34.01 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.098 0.475 . . . . 0.0 109.778 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 98.4 mttt -85.54 -27.11 25.78 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.795 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.1 p -71.12 -42.87 68.66 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.068 0.461 . . . . 0.0 110.176 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' A' ' 27' ' ' ARG . 6.6 mm-40 -73.95 -8.54 56.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.271 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -77.0 -6.11 51.37 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.034 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 38.0 m-70 -88.2 22.8 2.32 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.895 178.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -72.44 171.51 12.16 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.391 -178.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -62.84 -20.5 65.14 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 -177.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -53.45 -46.12 69.77 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.353 178.588 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 87.4 tttt -72.35 -43.53 63.93 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.52 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -58.27 -41.88 85.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.645 -178.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -62.75 -34.5 77.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.053 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.96 -29.76 58.41 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.845 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 45.8 mt-10 -71.58 -46.49 59.16 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.073 0.463 . . . . 0.0 109.77 178.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.2 ttt-85 -64.97 -39.06 92.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.094 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -70.87 -28.71 64.77 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.656 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.8 -27.2 64.69 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.885 0.374 . . . . 0.0 110.641 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.8 mt -82.81 -27.78 30.68 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.128 0.49 . . . . 0.0 109.789 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -85.44 -23.31 27.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.852 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.5 -32.07 71.09 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.313 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -71.76 -32.93 68.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.132 0.491 . . . . 0.0 110.302 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.2 tp -75.56 -44.07 45.21 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.293 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.49 -23.19 62.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.759 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -81.31 -19.66 42.41 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.209 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp 64.18 27.95 14.02 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.873 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -79.91 -157.34 0.14 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.346 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -69.98 78.98 0.48 Allowed 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.554 0.693 . . . . 0.0 111.699 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -79.41 -15.12 58.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.228 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -60.05 -25.31 65.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.476 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -62.9 -32.54 73.84 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.921 0.391 . . . . 0.0 110.927 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -87.79 6.45 83.43 Favored Glycine 0 C--O 1.229 -0.173 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.246 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -123.3 -74.5 0.61 Allowed 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 90.5 mt 51.04 -141.96 0.74 Allowed 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.287 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -98.28 10.44 40.67 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 177.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -85.81 17.26 3.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.094 -176.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 32.1 pt -89.9 18.64 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.454 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -76.15 -164.39 0.38 Allowed 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.172 -178.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 59.13 36.97 24.23 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.324 0.583 . . . . 0.0 109.718 -177.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -85.82 -0.93 56.61 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.483 -178.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.452 ' HB3' ' HG2' ' A' ' 70' ' ' ARG . 41.7 mt-10 64.64 24.95 13.05 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 115.154 -0.93 . . . . 0.0 113.146 173.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 56.08 29.23 14.18 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 177.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 65.08 27.61 12.46 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.452 ' HG2' ' HB3' ' A' ' 67' ' ' GLU . 6.6 ptp180 -59.56 -35.47 74.32 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.285 0.564 . . . . 0.0 109.515 176.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 48.7 tttm -65.13 -37.32 87.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.055 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.63 -31.67 71.77 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.021 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -95.94 -35.9 11.27 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.876 0.369 . . . . 0.0 111.135 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -72.69 -38.39 67.56 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.118 -178.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.31 18.32 11.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.086 0.47 . . . . 0.0 110.653 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -63.03 -24.64 68.01 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.886 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 . . . . . 0 C--O 1.244 0.785 0 CA-C-O 118.926 -0.559 . . . . 0.0 110.707 179.11 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.515 0 N-CA-C 112.161 -0.376 . . . . 0.0 112.161 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 p -62.92 -74.55 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.936 0.398 . . . . 0.0 110.939 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.7 p -88.74 -32.13 5.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.246 0.546 . . . . 0.0 110.251 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -81.33 71.07 8.31 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.409 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -96.01 -33.82 11.99 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 176.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 73.6 mt -138.47 -47.75 0.52 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.066 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.9 m 58.68 -87.43 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.487 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -158.01 20.35 0.25 Allowed 'General case' 0 C--O 1.239 0.513 0 CA-C-O 120.797 0.332 . . . . 0.0 110.875 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -69.39 -29.11 66.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.33 -178.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.92 -27.08 61.65 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.31 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -72.43 -48.99 36.84 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.81 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.4 tp -61.51 -38.03 85.85 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.407 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -58.81 -45.55 89.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.554 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -65.42 -43.95 88.93 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.927 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.451 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 87.3 mt -63.7 -34.53 78.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -75.78 -21.83 57.0 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.672 0.272 . . . . 0.0 111.385 -177.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -64.46 -24.67 67.7 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 120.896 0.379 . . . . 0.0 111.08 179.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -101.84 -1.05 33.07 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.244 0.545 . . . . 0.0 110.352 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.451 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 96.9 mtt180 -114.08 90.39 3.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.147 -179.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -95.38 29.62 2.48 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.441 -177.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.62 -44.45 93.45 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.482 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -71.09 -24.94 62.4 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.342 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.16 -29.83 48.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.853 0.359 . . . . 0.0 110.532 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -77.35 -44.71 28.45 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 120.99 0.424 . . . . 0.0 109.888 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.2 tp -62.66 -27.61 69.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.13 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -74.84 -36.48 62.37 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.1 ttp85 -68.35 -47.69 66.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.871 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.7 mt -66.96 -23.84 66.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.621 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.2 tttm -68.95 -34.96 76.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.553 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.3 t -90.73 -33.78 15.63 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.274 177.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -95.19 65.8 2.86 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.672 -177.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 33' ' ' HIS . 1.5 tmt_? -69.71 -24.53 63.58 Favored 'General case' 0 C--N 1.343 0.312 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 177.374 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.463 ' HB2' ' O ' ' A' ' 32' ' ' ARG . 54.0 m80 82.95 173.64 0.09 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.577 1.151 . . . . 0.0 111.911 179.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -178.37 159.23 1.19 Allowed 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.532 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 56.5 t-80 71.78 -58.2 0.59 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.013 0.525 . . . . 0.0 111.576 -178.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.41 ' OD2' ' HB3' ' A' ' 33' ' ' HIS . 6.6 p-10 -55.79 -40.38 72.6 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 120.998 0.427 . . . . 0.0 110.81 -179.265 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -73.99 -45.94 46.88 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.681 178.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -61.82 -51.94 66.2 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -176.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 35' ' ' HIS . 22.7 mm-40 -62.15 -33.67 74.94 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.631 0.253 . . . . 0.0 111.529 -176.661 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.44 -28.07 23.75 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.799 0.333 . . . . 0.0 111.323 -178.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -75.82 -32.53 59.87 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -63.94 -33.32 75.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.394 177.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -69.12 -37.64 78.45 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.705 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.85 -28.84 67.9 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 120.896 0.379 . . . . 0.0 110.704 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.2 mt -80.78 -18.81 46.4 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.728 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -85.74 -32.07 22.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.842 -178.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -66.02 -26.29 67.45 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.056 0.455 . . . . 0.0 110.248 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -66.46 -32.3 73.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.815 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.0 tp -69.42 -40.6 77.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.083 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.87 -26.39 63.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.851 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -74.69 -47.41 31.73 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.191 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.44 -20.88 64.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.951 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -63.06 -42.96 99.82 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.534 176.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -70.68 -43.11 69.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.521 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 71.43 -40.29 0.47 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.054 0.942 . . . . 0.0 113.08 177.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 29.5 tp -71.42 -10.37 59.65 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.674 0.273 . . . . 0.0 111.65 -177.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -65.12 122.36 16.89 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.024 0.44 . . . . 0.0 110.328 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.72 -11.76 56.34 Favored Glycine 0 C--N 1.313 -0.748 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.984 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.92 -21.62 18.52 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -177.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.9 mt -79.4 100.72 7.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.933 0.396 . . . . 0.0 110.846 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -100.92 -20.64 15.37 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.846 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 33.7 t80 61.59 25.07 15.06 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-O 121.516 0.674 . . . . 0.0 110.718 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.7 tt -96.59 151.45 4.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.41 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -93.61 170.46 9.57 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -74.18 -32.28 63.01 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 118.556 0.616 . . . . 0.0 109.429 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.515 ' HG2' ' H ' ' A' ' 67' ' ' GLU . 44.8 tttp 65.1 178.05 0.19 Allowed 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.073 177.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.515 ' H ' ' HG2' ' A' ' 66' ' ' LYS . 40.0 mt-10 55.68 37.47 28.91 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-O 120.922 0.391 . . . . 0.0 111.655 178.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.96 -18.1 61.41 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.507 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 61.16 25.68 15.66 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.916 178.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -75.5 -2.52 29.29 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.861 -178.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -69.79 -17.11 63.39 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.92 -10.75 55.81 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.842 0.353 . . . . 0.0 111.729 -178.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -78.29 -16.31 57.88 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 176.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 65.4 -66.78 0.14 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.115 0.966 . . . . 0.0 112.101 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.12 -46.41 1.66 Allowed 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -160.72 -28.9 0.06 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.364 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 C--N 1.319 -0.723 0 CA-C-O 118.774 -0.632 . . . . 0.0 109.951 -178.653 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.258 0 N-CA-C 111.694 -0.562 . . . . 0.0 111.694 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 m -120.99 -6.65 9.51 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-O 120.533 0.206 . . . . 0.0 111.061 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.4 m -73.8 -23.01 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 120.954 0.407 . . . . 0.0 110.918 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -83.78 -8.96 59.12 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.184 0.516 . . . . 0.0 109.693 177.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -121.09 30.5 6.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.803 -178.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.32 -17.04 63.29 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.305 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.0 m -71.85 -17.51 62.13 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.471 0.653 . . . . 0.0 109.849 176.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.419 ' HA ' ' OE1' ' A' ' 11' ' ' GLU . . . -108.9 24.64 12.82 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.69 178.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -55.8 -41.14 73.69 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.906 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.95 -31.27 70.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.778 0.323 . . . . 0.0 110.785 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.419 ' OE1' ' HA ' ' A' ' 8' ' ' ALA . 1.4 mp0 -75.78 -40.25 55.52 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.8 mt -61.85 -44.06 97.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.272 178.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -68.05 -40.21 82.86 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.87 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -61.16 -43.84 98.26 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-O 120.862 0.363 . . . . 0.0 110.133 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.3 tp -66.48 -31.57 72.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.696 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -74.38 -37.73 63.35 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 120.927 0.394 . . . . 0.0 110.308 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -77.1 -30.81 55.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.594 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -69.35 -32.94 72.34 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.19 0.519 . . . . 0.0 109.661 178.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 75.4 mtp85 -82.55 80.1 8.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.12 176.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 -87.25 -7.1 58.24 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.644 -179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.535 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 34.3 mt-10 -55.05 -50.99 67.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.762 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.525 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 45.1 mt-10 -64.39 -29.38 70.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.076 -177.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.71 -26.57 64.41 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.098 0.475 . . . . 0.0 110.268 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -86.92 -34.05 19.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.787 177.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.552 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 88.6 mt -65.43 -35.92 82.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.31 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.525 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 45.9 mt-10 -63.21 -35.41 80.24 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.104 0.478 . . . . 0.0 110.258 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 35.8 ttm105 -69.37 -40.42 77.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.581 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.4 tp -65.74 -28.74 69.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.241 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.552 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 56.0 mtpt -79.68 -21.76 44.28 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.133 178.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.5 m -77.27 -26.34 52.32 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -79.81 -14.67 58.52 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.126 177.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.453 ' HG2' ' ND1' ' A' ' 33' ' ' HIS . 39.2 ttm180 -61.41 134.1 56.53 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.73 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.453 ' ND1' ' HG2' ' A' ' 32' ' ' ARG . 71.2 m80 68.55 4.6 4.39 Favored 'General case' 0 C--N 1.366 1.314 0 C-N-CA 122.679 0.391 . . . . 0.0 111.707 -177.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -116.71 -19.6 9.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.889 0.376 . . . . 0.0 110.612 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -52.84 -43.21 65.86 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.571 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -61.15 -30.47 70.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.209 -178.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -70.01 -45.05 68.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.167 178.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -68.76 -34.83 76.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.805 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -67.65 -35.38 78.78 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.746 0.308 . . . . 0.0 110.446 177.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.29 -24.8 57.57 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.143 0.497 . . . . 0.0 109.661 178.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -72.37 -45.22 60.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.364 -0.834 . . . . 0.0 108.91 178.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -63.91 -49.99 70.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.929 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -59.3 -31.81 69.47 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.612 -176.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.57 -31.74 73.09 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 120.777 0.322 . . . . 0.0 110.893 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.3 mt -91.07 -30.93 16.48 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 120.991 0.424 . . . . 0.0 110.244 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -69.68 -34.79 74.44 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.466 -175.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -68.04 -25.38 65.34 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.747 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -78.28 -57.75 3.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.82 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.41 -16.56 64.3 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -175.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.12 -40.54 37.81 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.393 -0.523 . . . . 0.0 111.229 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -91.24 -48.59 6.84 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 120.955 0.407 . . . . 0.0 111.324 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -89.52 174.91 7.51 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.936 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -139.05 137.16 36.02 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.226 -177.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -85.91 -5.78 59.18 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 121.504 0.668 . . . . 0.0 109.703 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -54.67 -33.83 61.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.891 -1.05 . . . . 0.0 111.315 178.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 78.7 mt -66.19 -25.67 67.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.003 0.43 . . . . 0.0 111.16 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -93.58 3.86 54.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.441 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 87.88 9.62 70.88 Favored Glycine 0 C--O 1.236 0.232 0 C-N-CA 120.64 -0.791 . . . . 0.0 111.641 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 64.61 -85.29 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.267 0.627 . . . . 0.0 111.578 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.1 mt -152.64 157.96 41.72 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.378 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 69.7 mtt-85 -108.12 -172.93 2.16 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 176.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -97.32 166.84 11.36 Favored 'General case' 0 N--CA 1.435 -1.19 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 175.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.5 pt -75.97 -17.42 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 120.527 -0.469 . . . . 0.0 112.037 -175.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -87.16 -3.51 59.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.705 0.288 . . . . 0.0 111.584 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -87.15 -5.66 58.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.303 0.573 . . . . 0.0 109.763 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.509 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 49.6 tttm -158.52 44.97 0.3 Allowed 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -179.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -71.02 5.56 1.99 Allowed 'General case' 0 C--N 1.342 0.252 0 CA-C-N 116.24 -0.436 . . . . 0.0 112.172 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.45 -16.45 55.36 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.989 0.423 . . . . 0.0 110.187 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.509 ' HG2' ' O ' ' A' ' 66' ' ' LYS . 17.7 mm-40 -63.33 -26.94 68.99 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.549 176.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -84.59 -7.21 59.33 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.383 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 99.2 mttt 67.89 -178.62 0.22 Allowed 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -175.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -150.67 -33.78 0.16 Allowed 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 119.513 -0.875 . . . . 0.0 112.546 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -113.0 -18.96 12.08 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -173.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -73.79 -31.06 63.09 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.42 -164.23 1.28 Allowed 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.824 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -114.26 -26.17 8.13 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.145 0.498 . . . . 0.0 110.003 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 . . . . . 0 N--CA 1.443 -0.802 0 CA-C-O 118.395 -0.812 . . . . 0.0 109.39 179.931 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.299 0 N-CA-C 112.124 -0.39 . . . . 0.0 112.124 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -75.6 -4.69 41.46 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -177.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -69.83 -8.15 9.89 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-O 121.143 0.497 . . . . 0.0 110.972 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -120.08 172.24 7.89 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -85.11 48.66 1.6 Allowed 'General case' 0 CA--C 1.536 0.418 0 O-C-N 122.156 -0.34 . . . . 0.0 111.85 -177.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.8 tp -65.41 -53.68 39.61 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.085 0.469 . . . . 0.0 110.222 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.6 p -107.7 177.32 4.86 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.524 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -118.48 20.43 13.02 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 121.135 0.493 . . . . 0.0 110.832 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -63.55 -30.27 71.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.804 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.31 -29.18 62.52 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.58 178.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -73.83 -43.35 59.0 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.7 mt -60.68 -40.86 93.7 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.327 177.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -58.63 -41.34 85.73 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.601 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.462 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 34.3 ttm105 -69.63 -48.78 58.78 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.063 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.67 -24.26 67.71 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -72.98 -28.61 62.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.087 178.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -89.92 -32.82 16.67 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.811 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 41.4 mt-10 -78.13 -65.84 0.92 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.726 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.3 mtm-85 59.24 22.27 10.51 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.317 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.428 ' O ' ' HG3' ' A' ' 24' ' ' GLU . 52.0 m80 -83.91 0.37 48.07 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -176.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.491 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 47.1 mt-10 -55.43 -57.13 13.14 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.014 0.435 . . . . 0.0 110.822 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -68.41 -24.44 64.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.314 -178.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.25 -30.95 69.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.978 0.418 . . . . 0.0 110.099 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.524 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 42.3 mt-10 -80.87 -38.49 28.04 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 177.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.503 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 88.2 mt -62.46 -35.97 81.0 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.286 -179.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -60.7 -41.6 95.52 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.952 0.406 . . . . 0.0 110.268 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -64.73 -40.11 94.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.157 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' A' ' 24' ' ' GLU . 42.5 mt -73.04 -28.86 62.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.299 -178.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.503 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 73.8 mmtt -82.86 -27.52 30.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.909 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.7 m -89.18 -28.71 19.82 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.175 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -131.83 122.75 26.25 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.725 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -90.56 72.67 6.86 Favored 'General case' 0 N--CA 1.435 -1.181 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 176.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.517 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 11.6 p80 -53.73 -19.0 3.59 Favored 'General case' 0 C--N 1.362 1.116 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -178.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 t70 57.42 33.51 23.39 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.613 0.765 . . . . 0.0 112.34 175.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 73.84 -36.58 0.34 Allowed 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 175.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -54.26 -49.09 70.34 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -177.296 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.549 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 53.3 mtpt -61.08 -35.9 78.21 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.64 -179.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -66.56 -37.89 85.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.937 0.398 . . . . 0.0 110.729 -178.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -69.25 -28.82 66.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.408 177.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.11 -23.78 60.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.285 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.549 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 69.4 mt-10 -72.32 -53.96 10.88 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.772 178.358 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -66.8 -44.69 80.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.75 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -60.95 -43.48 98.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.811 -178.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.38 -27.1 46.77 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.747 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.3 tp -73.89 -39.3 63.99 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.151 -178.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -86.04 -28.18 24.3 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.181 -178.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -68.57 -36.29 78.55 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.443 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -80.24 -27.33 38.71 Favored 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.051 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.1 tp -70.0 -33.34 71.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.01 0.433 . . . . 0.0 110.355 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.06 -23.92 24.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 178.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -82.0 -39.65 23.29 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.361 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 73.65 -3.28 2.53 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 115.371 -0.832 . . . . 0.0 112.368 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 63.05 -163.77 0.26 Allowed 'General case' 0 C--O 1.237 0.422 0 C-N-CA 123.312 0.645 . . . . 0.0 111.449 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -107.59 135.39 49.12 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 36.5 p-80 -158.44 -173.16 4.16 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.033 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.63 -54.68 28.1 Favored 'General case' 0 C--N 1.338 0.09 0 CA-C-O 120.573 0.225 . . . . 0.0 110.984 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 48.1 t30 63.38 95.61 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.468 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -144.54 31.17 1.81 Allowed Glycine 0 C--N 1.312 -0.805 0 C-N-CA 120.147 -1.025 . . . . 0.0 112.319 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 62.18 32.41 17.31 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 120.844 0.354 . . . . 0.0 110.38 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.25 108.51 0.54 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.497 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.539 ' HD3' ' OE1' ' A' ' 65' ' ' GLU . 73.3 mtt180 -139.96 -170.77 3.02 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -127.82 175.22 8.5 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.737 -179.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 11.8 tt -78.28 -23.99 13.64 Favored 'Isoleucine or valine' 0 C--N 1.344 0.363 0 CA-C-O 121.48 0.657 . . . . 0.0 110.556 -178.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -98.95 37.5 1.52 Allowed 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.767 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.539 ' OE1' ' HD3' ' A' ' 61' ' ' ARG . 30.2 tt0 -52.36 -40.32 61.84 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.562 -179.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -78.12 -7.77 57.42 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.747 -177.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 64.12 15.5 9.34 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 122.869 0.468 . . . . 0.0 111.029 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.5 -2.47 58.16 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -175.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 61.12 23.41 13.61 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-O 120.745 0.307 . . . . 0.0 111.109 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 70' ' ' ARG . 53.0 mtp180 63.66 18.59 11.21 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.355 -177.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt 64.74 10.6 6.15 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.303 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 41.55 37.19 0.66 Allowed 'General case' 0 C--N 1.36 1.025 0 C-N-CA 124.058 0.943 . . . . 0.0 111.559 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -55.09 159.66 2.38 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.583 -176.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -81.77 -4.81 57.3 Favored 'General case' 0 C--N 1.344 0.35 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -174.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 63.11 24.45 14.45 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 120.831 0.348 . . . . 0.0 110.637 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 66.31 66.72 0.47 Allowed 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.683 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 . . . . . 0 C--O 1.252 1.212 0 CA-C-O 118.863 -0.589 . . . . 0.0 112.255 176.519 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.378 0 N-CA-C 111.707 -0.557 . . . . 0.0 111.707 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -113.03 -33.1 6.15 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.787 0.327 . . . . 0.0 111.041 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.6 t -75.01 -40.05 44.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -109.22 163.94 12.91 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 176.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -91.32 9.81 29.96 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 118.429 0.559 . . . . 0.0 111.208 -178.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.5 mt -105.06 -164.4 1.04 Allowed 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 176.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 45.0 p -96.27 174.95 6.63 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.505 -0.478 . . . . 0.0 109.923 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.95 -27.53 49.31 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 120.397 -0.521 . . . . 0.0 109.955 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -72.91 -31.24 64.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.333 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.57 -32.48 72.43 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.354 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -75.23 -42.5 55.19 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.993 0.425 . . . . 0.0 110.247 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 86.3 mt -64.99 -38.58 91.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.862 178.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -65.14 -41.84 94.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.426 178.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -56.46 -50.35 71.98 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.744 178.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.9 mt -67.55 -27.67 67.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.683 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -82.81 -38.55 22.95 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.887 0.375 . . . . 0.0 110.775 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -69.63 -30.13 67.78 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -75.83 -15.72 60.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.125 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 71.73 124.39 0.03 OUTLIER 'General case' 0 C--N 1.343 0.286 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.004 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -70.15 -49.29 51.99 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.616 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 70.27 -59.15 0.53 Allowed 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 177.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -62.47 -28.13 69.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.525 0.203 . . . . 0.0 111.179 -176.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.94 -28.48 68.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.023 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -86.86 -37.81 17.36 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 75.9 mt -71.01 -32.06 68.74 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.035 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -76.05 -39.72 54.93 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 177.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -62.07 -34.39 76.18 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.096 -0.957 . . . . 0.0 109.882 178.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.9 tp -61.04 -31.46 71.1 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.234 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -72.47 -28.66 63.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.341 . . . . 0.0 110.459 -178.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.7 m -91.06 -26.75 19.01 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.073 0.463 . . . . 0.0 110.587 177.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -73.03 -33.97 66.05 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.174 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -94.92 163.25 13.41 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -97.37 172.59 7.67 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 118.978 0.808 . . . . 0.0 110.262 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -136.72 106.13 6.09 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.452 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 10.8 t-80 -162.74 -46.16 0.04 OUTLIER 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.919 -177.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -57.64 -36.94 72.51 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.111 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -60.61 -44.51 96.23 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.925 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 41' ' ' GLU . 49.0 tttm -74.59 -23.18 58.7 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.603 -178.26 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.452 ' HG3' ' O ' ' A' ' 35' ' ' HIS . 46.9 mt-10 -69.4 -30.8 68.85 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 175.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.98 -20.33 52.84 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.422 ' HB3' ' O ' ' A' ' 38' ' ' LYS . 1.5 tm-20 -71.59 -46.05 60.39 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 175.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.11 -47.16 84.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.964 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -63.06 -29.75 71.06 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.383 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.59 -26.58 68.06 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.792 0.33 . . . . 0.0 111.07 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.3 tp -84.35 -29.93 25.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.043 179.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -75.12 -36.16 61.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.769 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -71.16 -28.71 64.45 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 120.867 0.365 . . . . 0.0 110.761 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -83.82 -42.54 16.34 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.588 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.9 tp -62.45 -25.88 68.21 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.028 0.442 . . . . 0.0 110.885 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.7 -18.46 37.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.95 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -88.91 -51.39 5.65 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.258 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 49.0 pttt -165.27 -171.29 2.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.671 178.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 64.1 11.85 6.53 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.903 0.858 . . . . 0.0 109.928 -176.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -60.78 145.66 48.89 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -100.78 -39.83 7.63 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.8 mt 56.43 -171.79 0.08 Allowed 'General case' 0 CA--C 1.542 0.669 0 O-C-N 123.665 0.603 . . . . 0.0 111.277 -178.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.435 ' HB3' HD13 ' A' ' 63' ' ' ILE . 95.2 m-20 60.76 8.49 1.82 Allowed 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 178.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 65.89 16.72 64.32 Favored Glycine 0 CA--C 1.519 0.318 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.996 -177.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 60.1 23.24 12.48 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 121.056 0.455 . . . . 0.0 110.958 -178.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.0 mt -90.2 132.54 35.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.121 0.486 . . . . 0.0 111.621 -178.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -89.7 -10.99 43.69 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.371 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -64.63 -19.08 65.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.751 -178.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.435 HD13 ' HB3' ' A' ' 57' ' ' ASN . 37.8 mt -68.8 -31.13 49.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.103 0.478 . . . . 0.0 110.281 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -84.24 -14.19 50.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.435 0.636 . . . . 0.0 109.794 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -91.33 107.99 19.58 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.583 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -76.85 -26.32 54.16 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.591 178.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 53.63 43.45 31.12 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 123.686 0.617 . . . . 0.0 110.303 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.14 -2.73 29.05 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.421 -179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.42 ' HG3' ' H ' ' A' ' 71' ' ' LYS . 9.6 tp10 70.02 -74.68 0.08 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.382 0.673 . . . . 0.0 111.652 178.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.464 ' HG2' ' O ' ' A' ' 70' ' ' ARG . 54.7 ttp180 62.52 19.27 11.11 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 121.552 0.691 . . . . 0.0 110.654 179.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.42 ' H ' ' HG3' ' A' ' 69' ' ' GLU . 86.8 tttt -65.6 -43.43 89.71 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.348 -176.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -81.62 -6.38 58.95 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.146 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.592 ' HG2' ' OXT' ' A' ' 77' ' ' GLN . 46.3 tttp 61.25 -165.13 0.23 Allowed 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.564 ' H ' ' HG2' ' A' ' 73' ' ' LYS . 5.7 tp10 66.85 9.55 6.88 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 176.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.82 -47.44 21.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.473 0.654 . . . . 0.0 109.242 178.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -131.44 -36.98 1.24 Allowed 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 115.065 -0.97 . . . . 0.0 108.726 175.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.592 ' OXT' ' HG2' ' A' ' 73' ' ' LYS . 35.9 tt0 . . . . . 0 C--O 1.25 1.112 0 CA-C-N 114.825 -1.08 . . . . 0.0 108.284 175.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 CA--C 1.534 0.35 0 CA-C-O 120.83 0.348 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -82.04 -44.5 16.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.708 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.44 -44.02 92.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.338 -178.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.448 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 14.0 t -68.02 -20.23 64.98 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.38 -178.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.65 -30.16 70.35 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.701 0.286 . . . . 0.0 111.001 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -84.25 -26.14 28.88 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 120.961 0.41 . . . . 0.0 110.14 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.15 -31.65 49.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.318 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 7' ' ' THR . 16.8 mm-40 -76.47 -36.92 57.61 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.018 0.437 . . . . 0.0 109.827 178.257 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.1 tp -64.49 -33.21 75.37 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.585 177.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -69.4 -27.79 65.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.623 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.406 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 46.1 mtp180 -64.79 -34.94 79.54 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 120.996 0.427 . . . . 0.0 110.105 177.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.1 mt -68.23 -24.87 64.96 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.121 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -79.92 -16.09 55.99 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.637 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -90.83 -32.7 15.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.993 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 28.4 mm-40 -70.03 -55.27 9.97 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-O 120.726 0.298 . . . . 0.0 110.672 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.4 mtm-85 63.97 174.83 0.18 Allowed 'General case' 0 C--O 1.238 0.481 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 175.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -129.81 -14.57 4.01 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.253 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.4 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 1.6 mp0 -54.45 -49.18 70.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.864 -178.213 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -66.89 -29.93 69.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.787 0.327 . . . . 0.0 111.095 -177.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.86 -21.85 37.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.112 0.482 . . . . 0.0 110.663 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -85.67 -40.46 16.14 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 21' ' ' GLU . 96.8 mt -69.98 -26.48 64.11 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.766 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -60.88 -34.08 74.08 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.252 0.548 . . . . 0.0 110.202 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -69.24 -46.22 67.86 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.343 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.7 tp -73.69 -25.15 60.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.716 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -66.82 -22.29 66.01 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.797 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.9 t -73.96 -26.62 60.58 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 56.09 29.46 14.61 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.349 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.434 ' HA ' ' ND1' ' A' ' 35' ' ' HIS . 53.6 mtp85 68.85 14.47 8.92 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.428 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -71.76 -24.49 61.77 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -70.28 -21.9 62.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.164 177.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.434 ' ND1' ' HA ' ' A' ' 32' ' ' ARG . 59.9 m80 -73.79 -33.9 64.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.537 177.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -66.25 -30.55 71.02 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.47 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -57.67 -42.19 83.1 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.762 177.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -71.44 -26.66 62.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.501 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -73.57 -25.48 60.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.892 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.77 -28.42 68.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.628 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.472 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -73.25 -34.74 66.02 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.029 0.442 . . . . 0.0 110.038 176.905 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.9 mmt-85 -72.35 -44.17 62.99 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -61.44 -34.33 75.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.856 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.66 -23.17 65.3 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.803 0.335 . . . . 0.0 111.095 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 86.3 mt -73.38 -33.95 65.3 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.428 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -87.38 -31.38 20.14 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.21 -32.06 73.54 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.722 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -88.72 -42.85 11.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.684 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.03 -44.61 92.03 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.589 -177.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.83 -21.02 59.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.532 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.7 t70 . . . . . 0 C--N 1.326 -0.455 0 CA-C-O 120.799 0.333 . . . . 0.0 110.768 179.853 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.9 tttp 53.52 28.58 7.89 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.881 176.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.5 mt -70.13 -31.3 68.76 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 120.868 0.366 . . . . 0.0 110.615 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.417 ' C ' ' H ' ' A' ' 9' ' ' ASP . 24.6 p -84.52 -27.57 27.3 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.15 0.5 . . . . 0.0 109.653 176.551 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.44 ' C ' ' H ' ' A' ' 10' ' ' ALA . . . 68.99 -12.67 0.38 Allowed 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 115.208 -0.905 . . . . 0.0 112.622 177.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.417 ' H ' ' C ' ' A' ' 7' ' ' THR . 59.5 m-20 70.94 -25.1 0.17 Allowed 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.704 0.801 . . . . 0.0 112.236 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.44 ' H ' ' C ' ' A' ' 8' ' ' ALA . . . -63.93 -25.23 68.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.342 -179.378 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -64.52 -29.18 70.22 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.695 0.283 . . . . 0.0 110.922 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.5 tp -74.83 -40.64 60.95 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -61.27 -44.15 97.71 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.024 178.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.562 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 60.7 mtp180 -65.22 -45.77 83.37 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.444 178.462 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.0 tp -58.86 -31.8 68.86 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.907 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -60.92 -45.11 95.98 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.443 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . 80.4 m-20 -73.27 -33.7 65.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.845 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.562 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 11.2 mm-40 -61.71 -37.44 84.19 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 121.407 0.623 . . . . 0.0 110.473 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -89.3 -2.28 58.39 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.086 -177.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.9 m170 -102.9 -47.57 4.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.892 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 65.91 -60.71 0.29 Allowed 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 123.831 0.852 . . . . 0.0 112.892 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -69.63 -27.97 65.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.911 0.386 . . . . 0.0 110.593 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.632 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -68.5 -25.16 64.82 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.888 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.443 ' HG2' ' HB3' ' A' ' 17' ' ' ASN . 40.2 mt-10 -66.66 -39.39 88.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.209 0.528 . . . . 0.0 110.096 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.401 ' O ' ' HE3' ' A' ' 29' ' ' LYS . 43.7 mt -72.33 -20.6 61.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.598 178.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -86.44 -41.93 14.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.813 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.632 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 22.9 mtp180 -59.12 -34.12 71.66 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.25 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.7 tp -65.5 -26.39 67.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.975 0.416 . . . . 0.0 110.705 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 78.9 mttt -87.32 -29.94 21.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.018 0.437 . . . . 0.0 110.182 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.2 t -90.39 -32.25 16.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.18 -176.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -94.07 18.0 11.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.156 0.503 . . . . 0.0 111.02 -176.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 2.9 ptp180 -77.65 -8.15 57.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.666 178.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -114.71 170.83 8.03 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -171.41 -33.06 0.02 OUTLIER 'General case' 0 C--N 1.343 0.304 0 CA-C-O 120.755 0.312 . . . . 0.0 111.409 -178.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.523 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 72.4 m80 -66.32 -49.71 66.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.561 -177.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -57.04 -37.02 71.18 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.63 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -64.92 -51.69 60.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.448 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -61.93 -36.56 81.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.406 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' A' ' 35' ' ' HIS . 49.9 mt-10 -61.73 -32.31 72.53 Favored 'General case' 0 C--O 1.227 -0.112 0 CA-C-O 120.681 0.276 . . . . 0.0 110.593 178.289 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.72 -34.97 27.08 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.833 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -67.71 -41.85 82.89 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.964 0.412 . . . . 0.0 110.556 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -64.78 -50.93 64.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.616 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -65.33 -31.81 73.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.686 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.73 -20.68 61.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.963 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.6 tp -89.65 -35.56 15.75 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.809 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -70.91 -28.89 64.86 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.722 0.296 . . . . 0.0 110.524 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -66.87 -34.88 78.77 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -74.21 -31.95 62.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.942 0.401 . . . . 0.0 110.658 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.3 tp -75.35 -23.5 57.22 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.933 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.82 -16.17 57.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.961 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.7 t70 . . . . . 0 C--N 1.319 -0.733 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.777 179.94 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 . . . . . 0 CA--C 1.551 1.018 0 N-CA-C 110.356 -0.238 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 44.5 pttt -122.07 15.62 10.74 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.927 -0.483 . . . . 0.0 110.836 177.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.3 tp 55.99 29.32 14.15 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.166 175.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.2 m 63.44 20.02 12.02 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-O 121.261 0.553 . . . . 0.0 111.139 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.11 5.17 10.64 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.149 0.499 . . . . 0.0 110.966 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -69.42 -29.52 67.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.207 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.23 -22.63 63.84 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.48 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -78.41 -47.23 18.0 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.611 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.9 tp -58.96 -42.46 89.94 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.765 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -66.4 -38.34 87.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.846 178.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -63.68 -52.55 60.16 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.166 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.8 mp -65.03 -26.93 68.47 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -80.51 -33.35 36.49 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.804 0.335 . . . . 0.0 110.571 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -85.04 -34.54 22.27 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.574 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -76.9 -67.52 0.7 Allowed 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 65.4 -69.27 0.1 Allowed 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 172.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 50.1 p-80 -138.28 3.64 2.38 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.567 0.222 . . . . 0.0 111.535 -175.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -66.08 -48.27 71.54 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -176.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -71.57 -32.92 68.62 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.371 -177.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.97 -25.92 56.29 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.906 -0.317 . . . . 0.0 110.606 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -72.0 -52.0 19.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.002 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.9 tp -65.09 -30.77 71.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.562 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -72.46 -29.0 63.28 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.125 0.488 . . . . 0.0 109.759 178.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -69.96 -42.43 73.21 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.2 mt -66.55 -22.48 66.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.175 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -85.07 -31.96 23.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.08 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.3 m -77.52 -36.82 52.12 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.252 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -143.06 145.58 33.02 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 178.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -166.9 -33.8 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 118.233 0.47 . . . . 0.0 110.452 -175.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -123.41 -172.67 2.56 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.355 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -64.1 -27.06 68.84 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.823 -177.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -49.73 -36.69 26.47 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -177.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -67.04 -56.61 9.34 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.077 0.465 . . . . 0.0 112.118 -178.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -86.21 -18.23 32.71 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -173.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -63.27 -38.49 91.36 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.194 0.521 . . . . 0.0 109.671 176.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -75.27 -29.95 60.29 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.671 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.34 -27.43 59.2 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-O 121.077 0.465 . . . . 0.0 109.824 178.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -69.9 -42.85 72.83 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -62.82 -43.78 97.9 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.045 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -58.14 -36.53 73.1 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.009 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.17 -19.28 63.99 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.025 0.44 . . . . 0.0 110.701 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.1 tp -90.3 -36.69 14.54 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.777 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -81.93 -34.56 29.8 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -177.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.07 -32.13 68.73 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.223 177.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -75.17 -27.95 59.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 177.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.7 tp -68.81 -34.75 76.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.474 177.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.74 -26.0 61.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.788 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.8 t70 . . . . . 0 N--CA 1.464 0.262 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.28 176.994 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 . . . . . 0 N--CA 1.447 -0.589 0 CA-C-O 120.637 0.256 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -83.95 -39.13 20.14 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -178.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 pp -68.19 -16.72 64.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.028 178.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.7 m -70.64 -38.28 73.84 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.04 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.418 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -79.13 -29.15 42.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.051 178.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -68.71 -25.01 64.55 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.022 178.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.87 -33.43 75.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.639 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -82.48 -35.61 27.28 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 8' ' ' ALA . 93.2 mt -60.99 -45.41 94.92 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.833 177.289 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -66.72 -38.94 87.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.785 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -57.28 -46.04 83.49 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.544 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.6 mt -74.3 -30.51 62.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -73.23 -37.21 66.46 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.046 0.451 . . . . 0.0 110.257 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -75.8 -16.91 60.03 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.046 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -87.04 -44.23 11.73 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.521 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 66.57 105.53 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.844 0.858 . . . . 0.0 111.487 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -67.31 -29.05 68.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.92 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.44 ' HG2' HD13 ' A' ' 25' ' ' LEU . 16.7 tt0 -61.68 -44.72 96.41 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.171 0.51 . . . . 0.0 110.074 178.661 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -65.75 -27.37 68.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.691 -177.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.81 -27.37 61.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.333 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -79.98 -49.21 12.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.946 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.44 HD13 ' HG2' ' A' ' 21' ' ' GLU . 9.8 mp -62.53 -34.84 77.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.619 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -66.07 -46.12 78.9 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -58.01 -48.1 81.04 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.814 -1.084 . . . . 0.0 110.971 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.8 tp -74.05 -30.03 62.2 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.979 -177.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -80.79 -29.45 36.1 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.274 -176.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.468 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 77.3 p -89.4 -8.08 53.84 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.748 -178.091 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' A' ' 30' ' ' SER . 4.2 mm-40 71.56 30.21 2.49 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-O 121.283 0.564 . . . . 0.0 110.214 -176.387 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.0 tpp180 -73.63 81.15 1.52 Allowed 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.818 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -79.29 -179.31 6.68 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.706 -0.621 . . . . 0.0 110.389 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.651 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 4.0 p-10 -69.72 -32.84 71.64 Favored 'General case' 0 CA--C 1.518 -0.259 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.084 -176.674 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -55.55 -37.91 68.6 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -66.7 -40.05 88.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.858 0.361 . . . . 0.0 110.656 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -70.14 -36.49 74.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.265 179.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.651 ' HG2' ' O ' ' A' ' 34' ' ' ASP . 33.4 mmtp -63.81 -46.36 85.5 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -65.0 -31.93 73.41 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.503 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.06 -26.73 68.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.056 0.455 . . . . 0.0 110.353 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 40.0 tt0 -88.34 -50.65 6.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.338 178.444 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.0 mtm180 -63.17 -31.86 73.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.026 -178.045 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -68.14 -33.73 75.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.006 0.431 . . . . 0.0 109.946 177.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.85 -25.58 56.35 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.092 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 88.5 mt -70.3 -28.44 65.18 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.313 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -82.54 -36.32 26.44 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.01 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -69.66 -30.86 68.64 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.205 0.526 . . . . 0.0 109.634 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -62.5 -36.68 83.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.462 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 45' ' ' LEU . 4.3 mm? -88.39 -35.78 16.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.211 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.48 -37.16 79.87 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.656 0.265 . . . . 0.0 111.524 -179.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 C--N 1.325 -0.463 0 CA-C-O 121.061 0.458 . . . . 0.0 110.005 178.63 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -161.22 -162.35 0.9 Allowed 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -177.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.4 tp 66.18 16.82 10.58 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.48 0.657 . . . . 0.0 111.054 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.3 t -105.01 -171.64 1.95 Allowed 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 61.53 12.9 4.74 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 120.947 0.403 . . . . 0.0 111.83 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -64.14 -36.3 83.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.504 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.6 -25.81 64.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -79.02 -46.85 17.33 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.2 tp -60.77 -44.05 97.27 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.713 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -68.91 -33.71 74.21 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.226 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 14' ' ' ARG . 44.8 ttp180 -68.15 -52.42 34.85 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.246 179.073 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.04 -29.89 71.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.804 -178.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -78.11 -33.82 50.38 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -89.47 -29.92 18.66 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.629 -0.429 . . . . 0.0 111.105 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -68.65 -47.89 65.39 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 60.34 -164.09 0.23 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.779 177.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -112.78 -174.9 2.55 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.48 ' CD ' ' H ' ' A' ' 21' ' ' GLU . 1.1 mp0 -69.18 -25.7 64.47 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.145 0.498 . . . . 0.0 110.566 -178.461 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -62.02 -30.02 70.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.82 -176.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.72 -25.93 62.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.912 0.387 . . . . 0.0 110.834 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -88.38 -52.42 5.21 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.99 0.424 . . . . 0.0 110.747 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.96 -33.72 74.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.655 -175.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -71.67 -37.19 70.81 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.962 -178.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 27' ' ' ARG . 50.9 mtm180 -67.68 -43.31 80.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.83 0.348 . . . . 0.0 110.333 178.491 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 73.7 mt -68.59 -26.43 65.38 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -73.93 -19.88 60.55 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.349 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.3 p -78.06 -9.85 59.34 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.158 -179.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 61.18 56.74 2.64 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.549 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.9 tpt180 -60.11 -22.61 63.01 Favored 'General case' 0 C--N 1.346 0.438 0 CA-C-O 120.725 0.298 . . . . 0.0 111.003 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -60.1 -20.81 60.04 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.836 178.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -59.73 -30.64 68.96 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.679 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -68.87 -31.47 70.43 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.1 0.476 . . . . 0.0 109.937 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -77.45 -44.81 27.73 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.708 177.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -57.54 -47.5 81.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.13 177.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -63.75 -30.81 71.87 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.79 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -63.12 -38.93 93.14 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.041 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.69 -30.81 18.84 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.588 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -75.93 -39.0 57.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.622 -177.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.6 ttp-105 -58.8 -41.77 87.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.103 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -65.57 -30.35 71.08 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.566 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 48' ' ' LYS . . . -67.97 -31.86 71.88 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.737 -179.499 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.8 tp -89.92 -31.59 17.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.629 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -74.21 -34.6 63.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.997 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -67.97 -27.79 66.89 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.622 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 44' ' ' ALA . 99.4 mttt -71.4 -18.99 62.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.051 0.453 . . . . 0.0 109.997 177.617 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.3 mt -89.32 -46.16 8.96 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.904 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.72 -41.52 23.45 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.8 t70 . . . . . 0 C--O 1.237 0.421 0 CA-C-O 121.159 0.504 . . . . 0.0 110.142 -179.691 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 . . . . . 0 CA--C 1.546 0.791 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -87.43 -16.24 35.42 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.987 0.423 . . . . 0.0 111.144 -178.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 pp -156.31 174.12 15.87 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.134 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.4 p -104.48 -22.22 13.33 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 120.834 0.349 . . . . 0.0 110.266 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 68.5 4.63 4.38 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.785 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -109.94 -22.6 11.77 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.6 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.88 -28.3 69.94 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.373 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -78.77 -23.64 45.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.226 0.536 . . . . 0.0 110.146 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.8 mt -85.51 -19.47 31.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.37 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -55.23 -28.81 55.83 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.026 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -61.42 -41.31 96.97 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.064 0.459 . . . . 0.0 110.47 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.488 HD12 ' HB3' ' A' ' 20' ' ' HIS . 24.2 tp -66.84 -27.65 67.71 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.081 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -83.35 -50.99 7.8 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.317 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -59.9 -36.23 76.55 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.943 -177.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -86.25 -7.54 58.44 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.933 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 55.84 31.06 16.96 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.931 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.488 ' HB3' HD12 ' A' ' 15' ' ' LEU . 53.7 t-80 -60.23 -38.82 84.6 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.648 -178.182 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -65.31 -40.94 94.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.896 0.379 . . . . 0.0 110.26 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.96 -36.01 82.16 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.175 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.29 -23.83 61.25 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 121.02 0.438 . . . . 0.0 110.584 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -77.53 -56.92 4.13 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.872 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.455 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 9.8 mp -66.66 -31.62 72.41 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.522 -177.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -61.11 -45.43 94.71 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.017 0.437 . . . . 0.0 110.915 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.586 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 62.4 mtt180 -70.23 -19.94 63.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.902 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.3 mt -82.71 -23.59 34.01 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.098 0.475 . . . . 0.0 109.778 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 98.4 mttt -85.54 -27.11 25.78 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.795 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.1 p -71.12 -42.87 68.66 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.068 0.461 . . . . 0.0 110.176 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.586 ' HG2' ' O ' ' A' ' 27' ' ' ARG . 6.6 mm-40 -73.95 -8.54 56.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.271 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -77.0 -6.11 51.37 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.034 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -88.2 22.8 2.32 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.895 178.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -72.44 171.51 12.16 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.391 -178.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -62.84 -20.5 65.14 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 -177.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -53.45 -46.12 69.77 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.353 178.588 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.45 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 87.4 tttt -72.35 -43.53 63.93 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.52 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -58.27 -41.88 85.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.645 -178.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -62.75 -34.5 77.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.053 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.96 -29.76 58.41 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.845 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 45.8 mt-10 -71.58 -46.49 59.16 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.073 0.463 . . . . 0.0 109.77 178.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.2 ttt-85 -64.97 -39.06 92.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.094 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -70.87 -28.71 64.77 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.656 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.8 -27.2 64.69 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.885 0.374 . . . . 0.0 110.641 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.8 mt -82.81 -27.78 30.68 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.128 0.49 . . . . 0.0 109.789 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -85.44 -23.31 27.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.852 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.5 -32.07 71.09 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.313 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -71.76 -32.93 68.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.132 0.491 . . . . 0.0 110.302 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.2 tp -75.56 -44.07 45.21 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.293 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.49 -23.19 62.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.759 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.0 t70 . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.209 179.616 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 CA--C 1.549 0.915 0 CA-C-O 120.798 0.332 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -96.01 -33.82 11.99 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 176.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 73.6 mt -138.47 -47.75 0.52 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.066 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.9 m 58.68 -87.43 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.487 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -158.01 20.35 0.25 Allowed 'General case' 0 C--O 1.239 0.513 0 CA-C-O 120.797 0.332 . . . . 0.0 110.875 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -69.39 -29.11 66.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.33 -178.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.92 -27.08 61.65 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.31 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -72.43 -48.99 36.84 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.81 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.4 tp -61.51 -38.03 85.85 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.407 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -58.81 -45.55 89.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.554 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -65.42 -43.95 88.93 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.927 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.444 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 87.3 mt -63.7 -34.53 78.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -75.78 -21.83 57.0 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.672 0.272 . . . . 0.0 111.385 -177.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -64.46 -24.67 67.7 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 120.896 0.379 . . . . 0.0 111.08 179.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -101.84 -1.05 33.07 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.244 0.545 . . . . 0.0 110.352 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 96.9 mtt180 -114.08 90.39 3.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.147 -179.1 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -95.38 29.62 2.48 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.441 -177.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.62 -44.45 93.45 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.482 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -71.09 -24.94 62.4 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.342 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.16 -29.83 48.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.853 0.359 . . . . 0.0 110.532 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -77.35 -44.71 28.45 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 120.99 0.424 . . . . 0.0 109.888 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.2 tp -62.66 -27.61 69.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.13 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -74.84 -36.48 62.37 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.1 ttp85 -68.35 -47.69 66.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.871 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.7 mt -66.96 -23.84 66.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.621 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.2 tttm -68.95 -34.96 76.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.553 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.3 t -90.73 -33.78 15.63 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.274 177.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -95.19 65.8 2.86 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.672 -177.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.457 ' O ' ' HB2' ' A' ' 33' ' ' HIS . 1.5 tmt_? -69.71 -24.53 63.58 Favored 'General case' 0 C--N 1.343 0.312 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 177.374 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.457 ' HB2' ' O ' ' A' ' 32' ' ' ARG . 54.0 m80 82.95 173.64 0.09 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.577 1.151 . . . . 0.0 111.911 179.003 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -178.37 159.23 1.19 Allowed 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.541 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 56.5 t-80 71.78 -58.2 0.59 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.013 0.525 . . . . 0.0 111.576 -178.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.416 ' OD2' ' HB3' ' A' ' 33' ' ' HIS . 6.6 p-10 -55.79 -40.38 72.6 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 120.998 0.427 . . . . 0.0 110.81 -179.265 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -73.99 -45.94 46.88 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.681 178.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -61.82 -51.94 66.2 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -176.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 35' ' ' HIS . 22.7 mm-40 -62.15 -33.67 74.94 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.631 0.253 . . . . 0.0 111.529 -176.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.44 -28.07 23.75 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.799 0.333 . . . . 0.0 111.323 -178.034 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -75.82 -32.53 59.87 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 42' ' ' ARG . 38.7 ttm180 -63.94 -33.32 75.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.394 177.324 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -69.12 -37.64 78.45 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.705 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.85 -28.84 67.9 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 120.896 0.379 . . . . 0.0 110.704 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.2 mt -80.78 -18.81 46.4 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.728 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -85.74 -32.07 22.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.842 -178.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -66.02 -26.29 67.45 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.056 0.455 . . . . 0.0 110.248 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -66.46 -32.3 73.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.815 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.0 tp -69.42 -40.6 77.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.083 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.87 -26.39 63.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.851 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.7 t70 . . . . . 0 C--O 1.237 0.422 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.191 178.739 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 121.184 0.516 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -121.09 30.5 6.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.803 -178.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.32 -17.04 63.29 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.305 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.0 m -71.85 -17.51 62.13 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.471 0.653 . . . . 0.0 109.849 176.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.435 ' HA ' ' OE1' ' A' ' 11' ' ' GLU . . . -108.9 24.64 12.82 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.69 178.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -55.8 -41.14 73.69 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.906 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.95 -31.27 70.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.778 0.323 . . . . 0.0 110.785 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.435 ' OE1' ' HA ' ' A' ' 8' ' ' ALA . 1.4 mp0 -75.78 -40.25 55.52 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 8' ' ' ALA . 94.8 mt -61.85 -44.06 97.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.272 178.107 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -68.05 -40.21 82.86 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.87 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -61.16 -43.84 98.26 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-O 120.862 0.363 . . . . 0.0 110.133 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.3 tp -66.48 -31.57 72.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.696 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -74.38 -37.73 63.35 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 120.927 0.394 . . . . 0.0 110.308 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -77.1 -30.81 55.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.594 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -69.35 -32.94 72.34 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.19 0.519 . . . . 0.0 109.661 178.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 75.4 mtp85 -82.55 80.1 8.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.12 176.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 -87.25 -7.1 58.24 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.644 -179.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.546 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 34.3 mt-10 -55.05 -50.99 67.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.762 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.53 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 45.1 mt-10 -64.39 -29.38 70.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.076 -177.463 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.71 -26.57 64.41 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.098 0.475 . . . . 0.0 110.268 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -86.92 -34.05 19.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.787 177.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 21' ' ' GLU . 88.6 mt -65.43 -35.92 82.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.31 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 45.9 mt-10 -63.21 -35.41 80.24 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.104 0.478 . . . . 0.0 110.258 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 35.8 ttm105 -69.37 -40.42 77.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.581 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.4 tp -65.74 -28.74 69.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.241 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.545 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 56.0 mtpt -79.68 -21.76 44.28 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.133 178.075 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.5 m -77.27 -26.34 52.32 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -79.81 -14.67 58.52 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.126 177.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.462 ' HG2' ' ND1' ' A' ' 33' ' ' HIS . 39.2 ttm180 -61.41 134.1 56.53 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.73 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.462 ' ND1' ' HG2' ' A' ' 32' ' ' ARG . 71.2 m80 68.55 4.6 4.39 Favored 'General case' 0 C--N 1.366 1.314 0 C-N-CA 122.679 0.391 . . . . 0.0 111.707 -177.33 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -116.71 -19.6 9.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.889 0.376 . . . . 0.0 110.612 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -52.84 -43.21 65.86 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.571 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -61.15 -30.47 70.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.209 -178.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -70.01 -45.05 68.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.167 178.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -68.76 -34.83 76.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.805 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -67.65 -35.38 78.78 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.746 0.308 . . . . 0.0 110.446 177.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.29 -24.8 57.57 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.143 0.497 . . . . 0.0 109.661 178.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -72.37 -45.22 60.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.364 -0.834 . . . . 0.0 108.91 178.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -63.91 -49.99 70.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.929 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -59.3 -31.81 69.47 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.612 -176.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.57 -31.74 73.09 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 120.777 0.322 . . . . 0.0 110.893 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.3 mt -91.07 -30.93 16.48 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 120.991 0.424 . . . . 0.0 110.244 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -69.68 -34.79 74.44 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.466 -175.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -68.04 -25.38 65.34 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.747 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -78.28 -57.75 3.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.82 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.41 -16.56 64.3 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -175.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.12 -40.54 37.81 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.393 -0.523 . . . . 0.0 111.229 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 . . . . . 0 CA--C 1.511 -0.537 0 CA-C-O 120.955 0.407 . . . . 0.0 111.324 179.856 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 . . . . . 0 CA--C 1.551 1.004 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -85.11 48.66 1.6 Allowed 'General case' 0 CA--C 1.536 0.418 0 O-C-N 122.156 -0.34 . . . . 0.0 111.85 -177.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.8 tp -65.41 -53.68 39.61 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.085 0.469 . . . . 0.0 110.222 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.6 p -107.7 177.32 4.86 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.524 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -118.48 20.43 13.02 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 121.135 0.493 . . . . 0.0 110.832 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -63.55 -30.27 71.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.804 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.31 -29.18 62.52 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.58 178.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -73.83 -43.35 59.0 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.7 mt -60.68 -40.86 93.7 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.327 177.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -58.63 -41.34 85.73 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.601 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.465 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 34.3 ttm105 -69.63 -48.78 58.78 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.063 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.67 -24.26 67.71 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -72.98 -28.61 62.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.087 178.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -89.92 -32.82 16.67 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.811 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 41.4 mt-10 -78.13 -65.84 0.92 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.726 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.3 mtm-85 59.24 22.27 10.51 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.317 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.432 ' O ' ' HG3' ' A' ' 24' ' ' GLU . 52.0 m80 -83.91 0.37 48.07 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -176.505 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.502 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 47.1 mt-10 -55.43 -57.13 13.14 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.014 0.435 . . . . 0.0 110.822 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -68.41 -24.44 64.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.314 -178.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.25 -30.95 69.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.978 0.418 . . . . 0.0 110.099 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.533 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 42.3 mt-10 -80.87 -38.49 28.04 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 177.325 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.514 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 88.2 mt -62.46 -35.97 81.0 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.286 -179.219 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -60.7 -41.6 95.52 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.952 0.406 . . . . 0.0 110.268 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -64.73 -40.11 94.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.157 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 24' ' ' GLU . 42.5 mt -73.04 -28.86 62.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.299 -178.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 73.8 mmtt -82.86 -27.52 30.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.909 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.7 m -89.18 -28.71 19.82 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.175 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -131.83 122.75 26.25 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.725 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -90.56 72.67 6.86 Favored 'General case' 0 N--CA 1.435 -1.181 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 176.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.551 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 11.6 p80 -53.73 -19.0 3.59 Favored 'General case' 0 C--N 1.362 1.116 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -178.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 t70 57.42 33.51 23.39 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.613 0.765 . . . . 0.0 112.34 175.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 73.84 -36.58 0.34 Allowed 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 175.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -54.26 -49.09 70.34 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -177.296 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.564 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 53.3 mtpt -61.08 -35.9 78.21 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.64 -179.111 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -66.56 -37.89 85.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.937 0.398 . . . . 0.0 110.729 -178.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -69.25 -28.82 66.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.408 177.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.11 -23.78 60.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.285 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.564 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 69.4 mt-10 -72.32 -53.96 10.88 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.772 178.358 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -66.8 -44.69 80.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.75 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -60.95 -43.48 98.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.811 -178.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.38 -27.1 46.77 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.747 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.3 tp -73.89 -39.3 63.99 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.151 -178.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -86.04 -28.18 24.3 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.181 -178.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -68.57 -36.29 78.55 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.443 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -80.24 -27.33 38.71 Favored 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.051 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.1 tp -70.0 -33.34 71.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.01 0.433 . . . . 0.0 110.355 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.06 -23.92 24.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 178.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.9 t70 . . . . . 0 N--CA 1.469 0.516 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.361 -179.779 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 . . . . . 0 CA--C 1.549 0.926 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -91.32 9.81 29.96 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 118.429 0.559 . . . . 0.0 111.208 -178.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.5 mt -105.06 -164.4 1.04 Allowed 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 176.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 45.0 p -96.27 174.95 6.63 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.505 -0.478 . . . . 0.0 109.923 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.405 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -77.95 -27.53 49.31 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 120.397 -0.521 . . . . 0.0 109.955 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -72.91 -31.24 64.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.333 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.57 -32.48 72.43 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.354 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -75.23 -42.5 55.19 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.993 0.425 . . . . 0.0 110.247 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 8' ' ' ALA . 86.3 mt -64.99 -38.58 91.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.862 178.002 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -65.14 -41.84 94.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.426 178.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -56.46 -50.35 71.98 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.744 178.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.9 mt -67.55 -27.67 67.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.683 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -82.81 -38.55 22.95 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.887 0.375 . . . . 0.0 110.775 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -69.63 -30.13 67.78 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -75.83 -15.72 60.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.125 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 71.73 124.39 0.03 OUTLIER 'General case' 0 C--N 1.343 0.286 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.004 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -70.15 -49.29 51.99 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.616 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 70.27 -59.15 0.53 Allowed 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 177.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -62.47 -28.13 69.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.525 0.203 . . . . 0.0 111.179 -176.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.94 -28.48 68.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.023 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -86.86 -37.81 17.36 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 75.9 mt -71.01 -32.06 68.74 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.035 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -76.05 -39.72 54.93 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 177.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -62.07 -34.39 76.18 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.096 -0.957 . . . . 0.0 109.882 178.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.9 tp -61.04 -31.46 71.1 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.234 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -72.47 -28.66 63.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.341 . . . . 0.0 110.459 -178.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.7 m -91.06 -26.75 19.01 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.073 0.463 . . . . 0.0 110.587 177.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -73.03 -33.97 66.05 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.174 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -94.92 163.25 13.41 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -97.37 172.59 7.67 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 118.978 0.808 . . . . 0.0 110.262 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -136.72 106.13 6.09 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.456 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 10.8 t-80 -162.74 -46.16 0.04 OUTLIER 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.919 -177.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -57.64 -36.94 72.51 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.111 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -60.61 -44.51 96.23 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.925 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.433 ' O ' ' HB3' ' A' ' 41' ' ' GLU . 49.0 tttm -74.59 -23.18 58.7 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.603 -178.26 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 35' ' ' HIS . 46.9 mt-10 -69.4 -30.8 68.85 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 175.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.98 -20.33 52.84 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.433 ' HB3' ' O ' ' A' ' 38' ' ' LYS . 1.5 tm-20 -71.59 -46.05 60.39 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 175.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.11 -47.16 84.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.964 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -63.06 -29.75 71.06 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.383 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.59 -26.58 68.06 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.792 0.33 . . . . 0.0 111.07 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.3 tp -84.35 -29.93 25.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.043 179.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -75.12 -36.16 61.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.769 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -71.16 -28.71 64.45 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 120.867 0.365 . . . . 0.0 110.761 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -83.82 -42.54 16.34 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.588 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.9 tp -62.45 -25.88 68.21 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.028 0.442 . . . . 0.0 110.885 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.7 -18.46 37.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.95 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.0 t70 . . . . . 0 C--N 1.324 -0.533 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.258 179.038 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.227 0 N-CA-C 111.982 -0.447 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -123.4 19.34 9.72 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.422 0.629 . . . . 0.0 109.418 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.9 t -57.88 -29.32 35.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.367 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -55.66 -29.87 60.04 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.271 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -82.04 -44.5 16.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.708 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.44 -44.02 92.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.338 -178.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.448 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 14.0 t -68.02 -20.23 64.98 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.38 -178.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.65 -30.16 70.35 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.701 0.286 . . . . 0.0 111.001 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -84.25 -26.14 28.88 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 120.961 0.41 . . . . 0.0 110.14 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.15 -31.65 49.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.318 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 7' ' ' THR . 16.8 mm-40 -76.47 -36.92 57.61 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.018 0.437 . . . . 0.0 109.827 178.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.1 tp -64.49 -33.21 75.37 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.585 177.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -69.4 -27.79 65.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.623 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.406 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 46.1 mtp180 -64.79 -34.94 79.54 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 120.996 0.427 . . . . 0.0 110.105 177.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.1 mt -68.23 -24.87 64.96 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.121 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -79.92 -16.09 55.99 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.637 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -90.83 -32.7 15.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.993 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 28.4 mm-40 -70.03 -55.27 9.97 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-O 120.726 0.298 . . . . 0.0 110.672 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.4 mtm-85 63.97 174.83 0.18 Allowed 'General case' 0 C--O 1.238 0.481 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 175.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -129.81 -14.57 4.01 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.253 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.4 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 1.6 mp0 -54.45 -49.18 70.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.864 -178.213 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -66.89 -29.93 69.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.787 0.327 . . . . 0.0 111.095 -177.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.86 -21.85 37.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.112 0.482 . . . . 0.0 110.663 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -85.67 -40.46 16.14 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 21' ' ' GLU . 96.8 mt -69.98 -26.48 64.11 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.766 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -60.88 -34.08 74.08 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.252 0.548 . . . . 0.0 110.202 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -69.24 -46.22 67.86 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.343 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.7 tp -73.69 -25.15 60.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.716 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -66.82 -22.29 66.01 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.797 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.9 t -73.96 -26.62 60.58 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 56.09 29.46 14.61 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.349 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.434 ' HA ' ' ND1' ' A' ' 35' ' ' HIS . 53.6 mtp85 68.85 14.47 8.92 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.428 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -71.76 -24.49 61.77 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -70.28 -21.9 62.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.164 177.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.434 ' ND1' ' HA ' ' A' ' 32' ' ' ARG . 59.9 m80 -73.79 -33.9 64.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.537 177.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -66.25 -30.55 71.02 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.47 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -57.67 -42.19 83.1 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.762 177.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -71.44 -26.66 62.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.501 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -73.57 -25.48 60.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.892 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.77 -28.42 68.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.628 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.472 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -73.25 -34.74 66.02 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.029 0.442 . . . . 0.0 110.038 176.905 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.9 mmt-85 -72.35 -44.17 62.99 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -61.44 -34.33 75.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.856 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.66 -23.17 65.3 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.803 0.335 . . . . 0.0 111.095 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 86.3 mt -73.38 -33.95 65.3 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.428 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -87.38 -31.38 20.14 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.21 -32.06 73.54 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.722 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -88.72 -42.85 11.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.684 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.03 -44.61 92.03 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.589 -177.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.83 -21.02 59.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.532 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.31 -45.31 19.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.799 0.333 . . . . 0.0 110.768 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 49.3 tttt -66.37 -60.57 2.63 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.146 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.443 ' HG3' ' H ' ' A' ' 56' ' ' LEU . 11.4 pt20 43.69 27.67 0.18 Allowed 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.604 1.162 . . . . 0.0 113.785 177.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 53.88 32.65 15.55 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.459 0.304 . . . . 0.0 111.199 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 34.5 t60 60.89 42.84 12.5 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.165 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.493 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 42.1 tp 68.6 19.7 8.55 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 121.258 0.551 . . . . 0.0 110.041 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 68.0 20.57 9.09 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.561 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.24 42.16 1.64 Allowed Glycine 0 N--CA 1.468 0.814 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.548 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.81 0.88 42.43 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.846 0.323 . . . . 0.0 110.566 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.412 ' O ' HG12 ' A' ' 63' ' ' ILE . 3.7 mm? 63.07 26.27 15.33 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.007 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -97.41 -19.92 18.14 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.216 0.531 . . . . 0.0 110.768 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -82.87 0.72 42.83 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.814 -177.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 60' ' ' LEU . 38.6 pt -94.26 -173.68 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.901 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -76.34 72.12 3.06 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.732 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -60.32 -48.05 83.41 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 120.734 0.302 . . . . 0.0 111.779 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -60.77 -35.75 77.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.05 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 27.8 tt0 -72.89 -20.06 61.16 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.123 0.487 . . . . 0.0 110.682 -178.072 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.78 -25.02 59.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.465 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -93.2 -53.87 3.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.999 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 67' ' ' GLU . 16.0 ttm180 -129.98 126.59 38.14 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 177.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -88.42 -6.21 57.8 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 118.672 0.669 . . . . 0.0 111.122 -176.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 63.39 26.17 14.86 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.08 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -74.43 -18.44 60.65 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.342 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -71.64 -18.75 62.18 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.537 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.81 -166.42 1.5 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -72.2 -34.32 68.29 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.017 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.062 -0.97 . . . . 0.0 111.31 -179.323 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.432 0 N-CA-C 111.934 -0.467 . . . . 0.0 111.934 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 m 63.02 83.16 0.16 Allowed 'General case' 0 C--O 1.236 0.381 0 C-N-CA 122.96 0.504 . . . . 0.0 111.143 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.3 m -86.49 -25.45 6.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.82 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -78.59 -76.6 0.19 Allowed 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.9 tttp 53.52 28.58 7.89 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.881 176.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.5 mt -70.13 -31.3 68.76 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 120.868 0.366 . . . . 0.0 110.615 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.417 ' C ' ' H ' ' A' ' 9' ' ' ASP . 24.6 p -84.52 -27.57 27.3 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.15 0.5 . . . . 0.0 109.653 176.551 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.44 ' C ' ' H ' ' A' ' 10' ' ' ALA . . . 68.99 -12.67 0.38 Allowed 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 115.208 -0.905 . . . . 0.0 112.622 177.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.417 ' H ' ' C ' ' A' ' 7' ' ' THR . 59.5 m-20 70.94 -25.1 0.17 Allowed 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.704 0.801 . . . . 0.0 112.236 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.44 ' H ' ' C ' ' A' ' 8' ' ' ALA . . . -63.93 -25.23 68.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.342 -179.378 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -64.52 -29.18 70.22 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.695 0.283 . . . . 0.0 110.922 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.5 tp -74.83 -40.64 60.95 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -61.27 -44.15 97.71 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.024 178.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.562 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 60.7 mtp180 -65.22 -45.77 83.37 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.444 178.462 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.0 tp -58.86 -31.8 68.86 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.907 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -60.92 -45.11 95.98 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.443 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . 80.4 m-20 -73.27 -33.7 65.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.845 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.562 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 11.2 mm-40 -61.71 -37.44 84.19 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 121.407 0.623 . . . . 0.0 110.473 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -89.3 -2.28 58.39 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.086 -177.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.9 m170 -102.9 -47.57 4.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.892 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 65.91 -60.71 0.29 Allowed 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 123.831 0.852 . . . . 0.0 112.892 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -69.63 -27.97 65.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.911 0.386 . . . . 0.0 110.593 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.632 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -68.5 -25.16 64.82 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.888 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.443 ' HG2' ' HB3' ' A' ' 17' ' ' ASN . 40.2 mt-10 -66.66 -39.39 88.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.209 0.528 . . . . 0.0 110.096 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.401 ' O ' ' HE3' ' A' ' 29' ' ' LYS . 43.7 mt -72.33 -20.6 61.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.598 178.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -86.44 -41.93 14.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.813 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.632 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 22.9 mtp180 -59.12 -34.12 71.66 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.25 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.7 tp -65.5 -26.39 67.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.975 0.416 . . . . 0.0 110.705 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 78.9 mttt -87.32 -29.94 21.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.018 0.437 . . . . 0.0 110.182 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.2 t -90.39 -32.25 16.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.18 -176.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -94.07 18.0 11.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.156 0.503 . . . . 0.0 111.02 -176.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 2.9 ptp180 -77.65 -8.15 57.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.666 178.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -114.71 170.83 8.03 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -171.41 -33.06 0.02 OUTLIER 'General case' 0 C--N 1.343 0.304 0 CA-C-O 120.755 0.312 . . . . 0.0 111.409 -178.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.523 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 72.4 m80 -66.32 -49.71 66.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.561 -177.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -57.04 -37.02 71.18 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.63 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -64.92 -51.69 60.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.448 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -61.93 -36.56 81.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.406 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' A' ' 35' ' ' HIS . 49.9 mt-10 -61.73 -32.31 72.53 Favored 'General case' 0 C--O 1.227 -0.112 0 CA-C-O 120.681 0.276 . . . . 0.0 110.593 178.289 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.72 -34.97 27.08 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.833 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -67.71 -41.85 82.89 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.964 0.412 . . . . 0.0 110.556 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -64.78 -50.93 64.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.616 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -65.33 -31.81 73.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.686 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.73 -20.68 61.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.963 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.6 tp -89.65 -35.56 15.75 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.809 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -70.91 -28.89 64.86 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.722 0.296 . . . . 0.0 110.524 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -66.87 -34.88 78.77 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -74.21 -31.95 62.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.942 0.401 . . . . 0.0 110.658 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.3 tp -75.35 -23.5 57.22 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.933 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.82 -16.17 57.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.961 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -86.51 -45.69 10.87 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.777 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -77.81 -6.17 53.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.696 -175.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -170.72 -171.72 1.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 177.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.71 112.96 24.93 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -179.006 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -138.16 19.56 2.79 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.539 -177.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 99.4 mt -104.58 -40.08 6.15 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.063 0.459 . . . . 0.0 110.333 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -99.97 -51.82 3.59 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.11 15.85 3.03 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.071 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 55.3 26.26 8.38 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 121.189 0.519 . . . . 0.0 111.245 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.5 tp -107.19 129.56 54.84 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.965 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -76.22 -177.1 3.85 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.627 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -116.97 -15.75 10.58 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.457 -177.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 9.6 tt -73.28 85.88 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 CA-C-O 121.57 0.7 . . . . 0.0 109.62 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -78.57 -15.52 58.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.743 -177.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -79.68 156.62 27.49 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.199 0.523 . . . . 0.0 111.676 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 66' ' ' LYS . 36.5 ttmt -96.57 -0.02 49.37 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.499 178.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 65.06 37.26 6.85 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.565 -177.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.455 ' O ' ' HG2' ' A' ' 72' ' ' GLU . . . -53.86 -35.12 61.18 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -176.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -73.19 -25.67 60.87 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.176 0.512 . . . . 0.0 110.476 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -78.75 -23.35 45.43 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.797 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -89.33 -3.68 58.39 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.759 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 47.3 mm-40 -99.37 157.12 16.63 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.96 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -61.09 -19.95 62.03 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 118.22 0.463 . . . . 0.0 110.917 177.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -63.81 -6.75 6.27 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.965 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.67 -19.92 44.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.731 0.3 . . . . 0.0 111.249 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -133.3 -36.55 0.99 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.422 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.521 -177.941 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.074 0 N-CA-C 111.659 -0.576 . . . . 0.0 111.659 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.1 m -72.1 -48.52 43.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.216 0.531 . . . . 0.0 109.627 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 84.3 t -82.98 -45.96 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.779 178.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -87.45 88.25 7.63 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.356 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 44.5 pttt -122.07 15.62 10.74 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.927 -0.483 . . . . 0.0 110.836 177.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.3 tp 55.99 29.32 14.15 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.166 175.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.2 m 63.44 20.02 12.02 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-O 121.261 0.553 . . . . 0.0 111.139 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.11 5.17 10.64 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.149 0.499 . . . . 0.0 110.966 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -69.42 -29.52 67.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.207 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.23 -22.63 63.84 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.48 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -78.41 -47.23 18.0 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.611 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.9 tp -58.96 -42.46 89.94 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.765 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -66.4 -38.34 87.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.846 178.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -63.68 -52.55 60.16 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.166 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.8 mp -65.03 -26.93 68.47 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -80.51 -33.35 36.49 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.804 0.335 . . . . 0.0 110.571 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -85.04 -34.54 22.27 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.574 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -76.9 -67.52 0.7 Allowed 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 65.4 -69.27 0.1 Allowed 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 172.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 50.1 p-80 -138.28 3.64 2.38 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.567 0.222 . . . . 0.0 111.535 -175.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -66.08 -48.27 71.54 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -176.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -71.57 -32.92 68.62 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.371 -177.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.97 -25.92 56.29 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.906 -0.317 . . . . 0.0 110.606 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -72.0 -52.0 19.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.002 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.9 tp -65.09 -30.77 71.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.562 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -72.46 -29.0 63.28 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.125 0.488 . . . . 0.0 109.759 178.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -69.96 -42.43 73.21 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.2 mt -66.55 -22.48 66.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.175 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -85.07 -31.96 23.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.08 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.3 m -77.52 -36.82 52.12 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.252 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -143.06 145.58 33.02 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 178.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -166.9 -33.8 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 118.233 0.47 . . . . 0.0 110.452 -175.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -123.41 -172.67 2.56 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.355 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -64.1 -27.06 68.84 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.823 -177.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -49.73 -36.69 26.47 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -177.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -67.04 -56.61 9.34 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.077 0.465 . . . . 0.0 112.118 -178.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -86.21 -18.23 32.71 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -173.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -63.27 -38.49 91.36 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.194 0.521 . . . . 0.0 109.671 176.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -75.27 -29.95 60.29 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.671 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.34 -27.43 59.2 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-O 121.077 0.465 . . . . 0.0 109.824 178.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -69.9 -42.85 72.83 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -62.82 -43.78 97.9 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.045 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -58.14 -36.53 73.1 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.009 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.17 -19.28 63.99 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.025 0.44 . . . . 0.0 110.701 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.1 tp -90.3 -36.69 14.54 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.777 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -81.93 -34.56 29.8 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -177.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.07 -32.13 68.73 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.223 177.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -75.17 -27.95 59.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 177.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.7 tp -68.81 -34.75 76.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.474 177.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.74 -26.0 61.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.788 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -67.62 -48.08 67.79 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.28 176.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.5 tttm 63.76 9.04 4.12 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.066 175.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 50.38 79.29 0.09 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.318 0.647 . . . . 0.0 111.33 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -61.39 99.11 0.1 Allowed 'General case' 0 C--N 1.344 0.357 0 CA-C-O 121.136 0.493 . . . . 0.0 110.191 178.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -101.14 -5.96 24.95 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.293 -177.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.446 ' O ' ' HG ' ' A' ' 56' ' ' LEU . 31.4 tp -97.45 17.96 16.39 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.136 0.493 . . . . 0.0 110.97 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.5 p-10 -65.73 124.95 23.8 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.03 0.443 . . . . 0.0 109.871 178.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -129.0 -37.14 0.4 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.028 -1.082 . . . . 0.0 112.8 -178.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.18 -178.4 6.55 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.98 0.39 . . . . 0.0 110.298 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.0 mp -80.88 -59.6 2.61 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.509 ' HA ' ' O ' ' A' ' 65' ' ' GLU . 53.9 ttp180 48.14 70.47 0.44 Allowed 'General case' 0 CA--C 1.551 0.989 0 O-C-N 123.826 0.704 . . . . 0.0 111.295 176.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.42 ' HB2' ' HG3' ' A' ' 67' ' ' GLU . 92.1 m-85 -63.28 -36.04 82.35 Favored 'General case' 0 C--N 1.344 0.358 0 O-C-N 122.021 -0.424 . . . . 0.0 111.694 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 14.0 tt -141.44 -37.93 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.571 -0.452 . . . . 0.0 112.114 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -149.89 -61.02 0.21 Allowed 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.395 -0.522 . . . . 0.0 112.261 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.509 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 38.0 mt-10 -106.9 -152.5 0.48 Allowed 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.101 -175.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.421 ' HG3' ' H ' ' A' ' 68' ' ' ALA . 25.9 pttm -70.94 -27.6 63.87 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.091 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.42 ' HG3' ' HB2' ' A' ' 62' ' ' TYR . 58.2 mm-40 59.6 19.18 7.75 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.601 0.761 . . . . 0.0 112.469 176.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.421 ' H ' ' HG3' ' A' ' 66' ' ' LYS . . . -71.87 -23.73 61.56 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.933 0.397 . . . . 0.0 111.395 -177.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.25 0.94 35.21 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.505 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -123.36 15.58 9.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.619 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -116.04 -5.46 11.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.526 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.497 ' HG3' ' H ' ' A' ' 73' ' ' LYS . 10.8 tp10 66.4 -176.93 0.19 Allowed 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -176.297 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.497 ' H ' ' HG3' ' A' ' 72' ' ' GLU . 16.9 mttp -87.62 178.63 6.71 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 178.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -108.57 168.19 9.51 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 176.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 63.6 27.54 14.94 Favored 'General case' 0 C--N 1.358 0.975 0 CA-C-O 121.097 0.475 . . . . 0.0 110.441 -177.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -88.14 13.72 10.72 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.056 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.216 -178.911 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.318 0 N-CA-C 112.053 -0.419 . . . . 0.0 112.053 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.9 p -97.38 179.35 4.91 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.5 p -82.89 146.44 7.05 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 176.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -88.74 176.96 6.86 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 119.079 0.854 . . . . 0.0 110.683 -177.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -83.95 -39.13 20.14 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -178.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 pp -68.19 -16.72 64.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.028 178.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.7 m -70.64 -38.28 73.84 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.04 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.418 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -79.13 -29.15 42.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.051 178.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -68.71 -25.01 64.55 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.022 178.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.87 -33.43 75.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.639 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -82.48 -35.61 27.28 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 8' ' ' ALA . 93.2 mt -60.99 -45.41 94.92 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.833 177.289 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -66.72 -38.94 87.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.785 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -57.28 -46.04 83.49 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.544 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.6 mt -74.3 -30.51 62.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -73.23 -37.21 66.46 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.046 0.451 . . . . 0.0 110.257 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 63.8 t30 -75.8 -16.91 60.03 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.046 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -87.04 -44.23 11.73 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.521 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 66.57 105.53 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.844 0.858 . . . . 0.0 111.487 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -67.31 -29.05 68.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.92 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.44 ' HG2' HD13 ' A' ' 25' ' ' LEU . 16.7 tt0 -61.68 -44.72 96.41 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.171 0.51 . . . . 0.0 110.074 178.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -65.75 -27.37 68.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.691 -177.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.81 -27.37 61.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.333 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -79.98 -49.21 12.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.946 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.44 HD13 ' HG2' ' A' ' 21' ' ' GLU . 9.8 mp -62.53 -34.84 77.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.619 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -66.07 -46.12 78.9 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -58.01 -48.1 81.04 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.814 -1.084 . . . . 0.0 110.971 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.8 tp -74.05 -30.03 62.2 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.979 -177.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -80.79 -29.45 36.1 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.274 -176.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.468 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 77.3 p -89.4 -8.08 53.84 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.748 -178.091 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' A' ' 30' ' ' SER . 4.2 mm-40 71.56 30.21 2.49 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-O 121.283 0.564 . . . . 0.0 110.214 -176.387 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.0 tpp180 -73.63 81.15 1.52 Allowed 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.818 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -79.29 -179.31 6.68 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.706 -0.621 . . . . 0.0 110.389 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.651 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 4.0 p-10 -69.72 -32.84 71.64 Favored 'General case' 0 CA--C 1.518 -0.259 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.084 -176.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -55.55 -37.91 68.6 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -66.7 -40.05 88.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.858 0.361 . . . . 0.0 110.656 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -70.14 -36.49 74.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.265 179.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.651 ' HG2' ' O ' ' A' ' 34' ' ' ASP . 33.4 mmtp -63.81 -46.36 85.5 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -65.0 -31.93 73.41 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.503 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.06 -26.73 68.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.056 0.455 . . . . 0.0 110.353 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 40.0 tt0 -88.34 -50.65 6.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.338 178.444 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.0 mtm180 -63.17 -31.86 73.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.026 -178.045 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -68.14 -33.73 75.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.006 0.431 . . . . 0.0 109.946 177.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.85 -25.58 56.35 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.092 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 88.5 mt -70.3 -28.44 65.18 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.313 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -82.54 -36.32 26.44 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.01 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -69.66 -30.86 68.64 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.205 0.526 . . . . 0.0 109.634 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -62.5 -36.68 83.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.462 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 45' ' ' LEU . 4.3 mm? -88.39 -35.78 16.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.211 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.48 -37.16 79.87 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.656 0.265 . . . . 0.0 111.524 -179.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -90.35 -15.92 30.18 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.061 0.458 . . . . 0.0 110.005 178.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.9 mttp 60.6 34.12 20.25 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.457 -176.088 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -75.98 19.45 0.22 Allowed 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.993 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -79.89 63.48 4.44 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.245 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -76.31 -8.66 57.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.218 0.532 . . . . 0.0 110.812 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.648 ' H ' HD23 ' A' ' 56' ' ' LEU . 2.6 pt? -82.21 13.43 3.49 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.586 177.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -72.09 -9.39 58.35 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.487 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -138.18 -174.13 13.27 Favored Glycine 0 CA--C 1.533 1.191 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 74.82 -36.14 0.31 Allowed 'General case' 0 N--CA 1.494 1.742 0 CA-C-N 118.395 1.098 . . . . 0.0 112.176 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.4 mt -74.65 -49.59 20.89 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 61' ' ' ARG . 37.4 ttp-105 62.75 19.18 11.24 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.239 176.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 58.14 45.87 16.9 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.488 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.4 HD11 ' HG2' ' A' ' 66' ' ' LYS . 20.5 pt -82.03 -3.12 6.7 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 120.664 0.269 . . . . 0.0 111.275 178.443 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 76.73 -41.46 0.4 Allowed 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 173.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -69.57 -49.75 51.21 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -175.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.4 ' HG2' HD11 ' A' ' 63' ' ' ILE . 70.2 mmtt -74.99 -25.42 58.82 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -174.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -84.21 -8.82 58.94 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 62.47 25.45 15.16 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 121.401 0.619 . . . . 0.0 110.184 -178.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -82.0 9.89 7.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.453 -177.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.44 ' HG3' ' H ' ' A' ' 72' ' ' GLU . 27.7 ptt180 -68.83 -41.14 78.94 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.28 -0.568 . . . . 0.0 109.586 177.368 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp 54.04 38.23 28.52 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.541 178.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.44 ' H ' ' HG3' ' A' ' 70' ' ' ARG . 24.3 tt0 -79.81 -72.77 0.38 Allowed 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -176.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -160.89 38.81 0.15 Allowed 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 -177.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -47.48 -58.67 3.93 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 123.347 0.404 . . . . 0.0 111.645 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 47.11 29.43 1.12 Allowed 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 176.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -76.96 -26.64 54.22 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.897 -178.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 . . . . . 0 C--O 1.244 0.787 0 CA-C-O 118.402 -0.809 . . . . 0.0 110.579 178.527 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.189 0 N-CA-C 112.112 -0.395 . . . . 0.0 112.112 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 p -92.06 95.89 10.03 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 120.909 0.385 . . . . 0.0 110.501 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.447 HG22 ' H ' ' A' ' 4' ' ' GLU . 9.3 p -107.13 171.51 2.11 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.447 ' H ' HG22 ' A' ' 3' ' ' VAL . 5.9 mp0 -94.81 178.55 5.54 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 118.364 0.529 . . . . 0.0 110.314 -178.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -161.22 -162.35 0.9 Allowed 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -177.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.4 tp 66.18 16.82 10.58 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.48 0.657 . . . . 0.0 111.054 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.3 t -105.01 -171.64 1.95 Allowed 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 61.53 12.9 4.74 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 120.947 0.403 . . . . 0.0 111.83 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -64.14 -36.3 83.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.504 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.6 -25.81 64.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -79.02 -46.85 17.33 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.2 tp -60.77 -44.05 97.27 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.713 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -68.91 -33.71 74.21 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.226 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 14' ' ' ARG . 44.8 ttp180 -68.15 -52.42 34.85 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.246 179.073 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.04 -29.89 71.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.804 -178.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -78.11 -33.82 50.38 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -89.47 -29.92 18.66 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.629 -0.429 . . . . 0.0 111.105 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -68.65 -47.89 65.39 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 60.34 -164.09 0.23 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.779 177.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -112.78 -174.9 2.55 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.48 ' CD ' ' H ' ' A' ' 21' ' ' GLU . 1.1 mp0 -69.18 -25.7 64.47 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.145 0.498 . . . . 0.0 110.566 -178.461 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -62.02 -30.02 70.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.82 -176.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.72 -25.93 62.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.912 0.387 . . . . 0.0 110.834 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -88.38 -52.42 5.21 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.99 0.424 . . . . 0.0 110.747 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.96 -33.72 74.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.655 -175.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -71.67 -37.19 70.81 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.962 -178.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 27' ' ' ARG . 50.9 mtm180 -67.68 -43.31 80.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.83 0.348 . . . . 0.0 110.333 178.491 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 73.7 mt -68.59 -26.43 65.38 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -73.93 -19.88 60.55 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.349 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.3 p -78.06 -9.85 59.34 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.158 -179.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 61.18 56.74 2.64 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.549 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.9 tpt180 -60.11 -22.61 63.01 Favored 'General case' 0 C--N 1.346 0.438 0 CA-C-O 120.725 0.298 . . . . 0.0 111.003 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -60.1 -20.81 60.04 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.836 178.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -59.73 -30.64 68.96 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.679 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -68.87 -31.47 70.43 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.1 0.476 . . . . 0.0 109.937 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -77.45 -44.81 27.73 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.708 177.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -57.54 -47.5 81.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.13 177.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -63.75 -30.81 71.87 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.79 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -63.12 -38.93 93.14 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.041 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.69 -30.81 18.84 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.588 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -75.93 -39.0 57.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.622 -177.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.6 ttp-105 -58.8 -41.77 87.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.103 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -65.57 -30.35 71.08 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.566 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 48' ' ' LYS . . . -67.97 -31.86 71.88 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.737 -179.499 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.8 tp -89.92 -31.59 17.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.629 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -74.21 -34.6 63.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.997 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -67.97 -27.79 66.89 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.622 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 52' ' ' LYS . 99.4 mttt -71.4 -18.99 62.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.051 0.453 . . . . 0.0 109.997 177.617 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.3 mt -89.32 -46.16 8.96 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.904 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.72 -41.52 23.45 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -90.01 -15.85 31.02 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.159 0.504 . . . . 0.0 110.142 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 48' ' ' LYS . 61.7 mttp 67.38 -170.22 0.19 Allowed 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.608 -178.164 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -126.98 38.89 4.02 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 122.256 -0.278 . . . . 0.0 111.604 -176.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.453 ' OE2' ' HD2' ' A' ' 61' ' ' ARG . 40.5 mt-10 74.66 142.67 0.07 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.363 0.665 . . . . 0.0 111.719 177.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -142.23 -39.43 0.36 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.744 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.9 mt -64.95 -59.07 4.57 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.905 0.383 . . . . 0.0 110.678 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -81.8 149.02 28.58 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.35 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -89.24 -29.53 16.93 Favored Glycine 0 C--N 1.315 -0.637 0 N-CA-C 110.521 -1.031 . . . . 0.0 110.521 176.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 55.76 -164.69 0.13 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.011 0.525 . . . . 0.0 111.604 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -121.22 33.87 5.4 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.453 ' HD2' ' OE2' ' A' ' 54' ' ' GLU . 25.8 mtp180 -62.13 -54.06 46.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.345 -177.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -69.03 -26.9 65.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.95 0.405 . . . . 0.0 110.736 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.7 mm -75.58 -30.9 22.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.59 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.8 t30 74.05 -47.16 0.64 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.257 1.023 . . . . 0.0 111.892 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -111.6 110.18 20.46 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.992 0.425 . . . . 0.0 111.367 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -79.08 -15.89 57.53 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.821 178.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -72.08 -25.06 61.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.196 -178.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 60.89 21.52 11.71 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -67.76 -41.25 83.63 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.26 0.552 . . . . 0.0 109.863 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.589 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 77.2 mtp180 -73.73 -24.82 59.95 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.074 178.304 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.1 tttm 62.26 12.27 5.05 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.859 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 62.24 19.19 10.79 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.062 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 70' ' ' ARG . 25.8 pttm -91.81 172.46 8.46 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.228 -176.228 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -127.17 -37.59 2.05 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 177.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.78 -157.34 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.694 174.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -90.28 -29.42 18.15 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.806 -0.357 . . . . 0.0 111.567 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 . . . . . 0 C--O 1.247 0.955 0 C-N-CA 123.135 0.574 . . . . 0.0 111.829 -179.527 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.466 0 N-CA-C 112.27 -0.332 . . . . 0.0 112.27 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 p -101.75 26.33 7.55 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -176.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.1 m -79.75 -5.19 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-O 120.977 0.418 . . . . 0.0 110.919 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -168.43 174.72 6.73 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -87.43 -16.24 35.42 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.987 0.423 . . . . 0.0 111.144 -178.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 pp -156.31 174.12 15.87 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.134 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.4 p -104.48 -22.22 13.33 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 120.834 0.349 . . . . 0.0 110.266 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 68.5 4.63 4.38 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.785 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -109.94 -22.6 11.77 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.6 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.88 -28.3 69.94 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.373 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -78.77 -23.64 45.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.226 0.536 . . . . 0.0 110.146 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.8 mt -85.51 -19.47 31.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.37 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -55.23 -28.81 55.83 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.026 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -61.42 -41.31 96.97 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.064 0.459 . . . . 0.0 110.47 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.488 HD12 ' HB3' ' A' ' 20' ' ' HIS . 24.2 tp -66.84 -27.65 67.71 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.081 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -83.35 -50.99 7.8 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.317 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -59.9 -36.23 76.55 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.943 -177.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -86.25 -7.54 58.44 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.933 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 55.84 31.06 16.96 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.931 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.488 ' HB3' HD12 ' A' ' 15' ' ' LEU . 53.7 t-80 -60.23 -38.82 84.6 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.648 -178.182 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -65.31 -40.94 94.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.896 0.379 . . . . 0.0 110.26 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.96 -36.01 82.16 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.175 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.29 -23.83 61.25 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 121.02 0.438 . . . . 0.0 110.584 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -77.53 -56.92 4.13 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.872 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.455 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 9.8 mp -66.66 -31.62 72.41 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.522 -177.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -61.11 -45.43 94.71 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.017 0.437 . . . . 0.0 110.915 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.586 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 62.4 mtt180 -70.23 -19.94 63.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.902 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.3 mt -82.71 -23.59 34.01 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.098 0.475 . . . . 0.0 109.778 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 98.4 mttt -85.54 -27.11 25.78 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.795 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.1 p -71.12 -42.87 68.66 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.068 0.461 . . . . 0.0 110.176 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.586 ' HG2' ' O ' ' A' ' 27' ' ' ARG . 6.6 mm-40 -73.95 -8.54 56.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.271 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -77.0 -6.11 51.37 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.034 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 57.3 m80 -88.2 22.8 2.32 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.895 178.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -72.44 171.51 12.16 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.391 -178.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -62.84 -20.5 65.14 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 -177.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -53.45 -46.12 69.77 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.353 178.588 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.45 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 87.4 tttt -72.35 -43.53 63.93 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.52 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -58.27 -41.88 85.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.645 -178.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -62.75 -34.5 77.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.053 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.96 -29.76 58.41 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.845 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 45.8 mt-10 -71.58 -46.49 59.16 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.073 0.463 . . . . 0.0 109.77 178.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.2 ttt-85 -64.97 -39.06 92.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.094 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -70.87 -28.71 64.77 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.656 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.8 -27.2 64.69 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.885 0.374 . . . . 0.0 110.641 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.8 mt -82.81 -27.78 30.68 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.128 0.49 . . . . 0.0 109.789 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -85.44 -23.31 27.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.852 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.5 -32.07 71.09 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.313 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -71.76 -32.93 68.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.132 0.491 . . . . 0.0 110.302 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.2 tp -75.56 -44.07 45.21 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.293 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.49 -23.19 62.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.759 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -81.31 -19.66 42.41 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.209 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp 64.18 27.95 14.02 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.873 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -79.91 -157.34 0.14 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.346 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.416 ' HG2' ' H ' ' A' ' 54' ' ' GLU . 7.2 pt-20 -69.98 78.98 0.48 Allowed 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.554 0.693 . . . . 0.0 111.699 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -79.41 -15.12 58.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.228 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.425 ' H ' HD22 ' A' ' 56' ' ' LEU . 3.1 mm? -60.05 -25.31 65.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.476 -179.15 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -62.9 -32.54 73.84 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.921 0.391 . . . . 0.0 110.927 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -87.79 6.45 83.43 Favored Glycine 0 C--O 1.229 -0.173 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.246 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -123.3 -74.5 0.61 Allowed 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 90.5 mt 51.04 -141.96 0.74 Allowed 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.287 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -98.28 10.44 40.67 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 177.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -85.81 17.26 3.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.094 -176.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 32.1 pt -89.9 18.64 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.454 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -76.15 -164.39 0.38 Allowed 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.172 -178.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 59.13 36.97 24.23 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.324 0.583 . . . . 0.0 109.718 -177.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -85.82 -0.93 56.61 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.483 -178.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.491 ' HB3' ' HG2' ' A' ' 70' ' ' ARG . 41.7 mt-10 64.64 24.95 13.05 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 115.154 -0.93 . . . . 0.0 113.146 173.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 56.08 29.23 14.18 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 177.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 65.08 27.61 12.46 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.491 ' HG2' ' HB3' ' A' ' 67' ' ' GLU . 6.6 ptp180 -59.56 -35.47 74.32 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.285 0.564 . . . . 0.0 109.515 176.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 48.7 tttm -65.13 -37.32 87.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.055 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.63 -31.67 71.77 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.021 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -95.94 -35.9 11.27 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.876 0.369 . . . . 0.0 111.135 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -72.69 -38.39 67.56 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.118 -178.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.31 18.32 11.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.086 0.47 . . . . 0.0 110.653 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -63.03 -24.64 68.01 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.886 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 . . . . . 0 C--O 1.244 0.785 0 CA-C-O 118.926 -0.559 . . . . 0.0 110.707 179.11 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.515 0 N-CA-C 112.161 -0.376 . . . . 0.0 112.161 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 p -62.92 -74.55 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.936 0.398 . . . . 0.0 110.939 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.7 p -88.74 -32.13 5.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.246 0.546 . . . . 0.0 110.251 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -81.33 71.07 8.31 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.409 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -96.01 -33.82 11.99 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 176.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 73.6 mt -138.47 -47.75 0.52 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.066 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.9 m 58.68 -87.43 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.487 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -158.01 20.35 0.25 Allowed 'General case' 0 C--O 1.239 0.513 0 CA-C-O 120.797 0.332 . . . . 0.0 110.875 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -69.39 -29.11 66.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.33 -178.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.92 -27.08 61.65 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.31 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -72.43 -48.99 36.84 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.81 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.4 tp -61.51 -38.03 85.85 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.407 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -58.81 -45.55 89.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.554 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -65.42 -43.95 88.93 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.927 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.444 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 87.3 mt -63.7 -34.53 78.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -75.78 -21.83 57.0 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.672 0.272 . . . . 0.0 111.385 -177.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -64.46 -24.67 67.7 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 120.896 0.379 . . . . 0.0 111.08 179.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -101.84 -1.05 33.07 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.244 0.545 . . . . 0.0 110.352 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 96.9 mtt180 -114.08 90.39 3.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.147 -179.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -95.38 29.62 2.48 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.441 -177.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.62 -44.45 93.45 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.482 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -71.09 -24.94 62.4 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.342 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.16 -29.83 48.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.853 0.359 . . . . 0.0 110.532 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -77.35 -44.71 28.45 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 120.99 0.424 . . . . 0.0 109.888 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.2 tp -62.66 -27.61 69.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.13 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -74.84 -36.48 62.37 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.1 ttp85 -68.35 -47.69 66.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.871 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.7 mt -66.96 -23.84 66.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.621 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.2 tttm -68.95 -34.96 76.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.553 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.3 t -90.73 -33.78 15.63 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.274 177.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -95.19 65.8 2.86 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.672 -177.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.457 ' O ' ' HB2' ' A' ' 33' ' ' HIS . 1.5 tmt_? -69.71 -24.53 63.58 Favored 'General case' 0 C--N 1.343 0.312 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 177.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.457 ' HB2' ' O ' ' A' ' 32' ' ' ARG . 54.0 m80 82.95 173.64 0.09 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.577 1.151 . . . . 0.0 111.911 179.003 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -178.37 159.23 1.19 Allowed 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.541 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 56.5 t-80 71.78 -58.2 0.59 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.013 0.525 . . . . 0.0 111.576 -178.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.416 ' OD2' ' HB3' ' A' ' 33' ' ' HIS . 6.6 p-10 -55.79 -40.38 72.6 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 120.998 0.427 . . . . 0.0 110.81 -179.265 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -73.99 -45.94 46.88 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.681 178.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -61.82 -51.94 66.2 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -176.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 35' ' ' HIS . 22.7 mm-40 -62.15 -33.67 74.94 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.631 0.253 . . . . 0.0 111.529 -176.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.44 -28.07 23.75 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.799 0.333 . . . . 0.0 111.323 -178.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -75.82 -32.53 59.87 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 42' ' ' ARG . 38.7 ttm180 -63.94 -33.32 75.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.394 177.324 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -69.12 -37.64 78.45 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.705 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.85 -28.84 67.9 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 120.896 0.379 . . . . 0.0 110.704 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.2 mt -80.78 -18.81 46.4 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.728 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -85.74 -32.07 22.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.842 -178.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -66.02 -26.29 67.45 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.056 0.455 . . . . 0.0 110.248 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -66.46 -32.3 73.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.815 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.0 tp -69.42 -40.6 77.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.083 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.87 -26.39 63.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.851 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -74.69 -47.41 31.73 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.191 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.44 -20.88 64.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.951 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -63.06 -42.96 99.82 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.534 176.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -70.68 -43.11 69.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.521 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 71.43 -40.29 0.47 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.054 0.942 . . . . 0.0 113.08 177.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 29.5 tp -71.42 -10.37 59.65 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.674 0.273 . . . . 0.0 111.65 -177.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -65.12 122.36 16.89 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.024 0.44 . . . . 0.0 110.328 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.72 -11.76 56.34 Favored Glycine 0 C--N 1.313 -0.748 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.984 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.92 -21.62 18.52 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -177.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.9 mt -79.4 100.72 7.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.933 0.396 . . . . 0.0 110.846 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -100.92 -20.64 15.37 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.846 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 33.7 t80 61.59 25.07 15.06 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-O 121.516 0.674 . . . . 0.0 110.718 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.7 tt -96.59 151.45 4.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.41 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -93.61 170.46 9.57 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -74.18 -32.28 63.01 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 118.556 0.616 . . . . 0.0 109.429 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.538 ' HG2' ' H ' ' A' ' 67' ' ' GLU . 44.8 tttp 65.1 178.05 0.19 Allowed 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.073 177.106 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.538 ' H ' ' HG2' ' A' ' 66' ' ' LYS . 40.0 mt-10 55.68 37.47 28.91 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-O 120.922 0.391 . . . . 0.0 111.655 178.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.96 -18.1 61.41 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.507 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 61.16 25.68 15.66 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.916 178.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -75.5 -2.52 29.29 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.861 -178.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -69.79 -17.11 63.39 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.92 -10.75 55.81 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.842 0.353 . . . . 0.0 111.729 -178.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -78.29 -16.31 57.88 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 176.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 65.4 -66.78 0.14 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.115 0.966 . . . . 0.0 112.101 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.12 -46.41 1.66 Allowed 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -160.72 -28.9 0.06 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.364 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 C--N 1.319 -0.723 0 CA-C-O 118.774 -0.632 . . . . 0.0 109.951 -178.653 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.258 0 N-CA-C 111.694 -0.562 . . . . 0.0 111.694 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 m -120.99 -6.65 9.51 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-O 120.533 0.206 . . . . 0.0 111.061 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.4 m -73.8 -23.01 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 120.954 0.407 . . . . 0.0 110.918 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -83.78 -8.96 59.12 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.184 0.516 . . . . 0.0 109.693 177.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -121.09 30.5 6.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.803 -178.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.32 -17.04 63.29 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.305 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.0 m -71.85 -17.51 62.13 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.471 0.653 . . . . 0.0 109.849 176.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.435 ' HA ' ' OE1' ' A' ' 11' ' ' GLU . . . -108.9 24.64 12.82 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.69 178.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -55.8 -41.14 73.69 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.906 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.95 -31.27 70.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.778 0.323 . . . . 0.0 110.785 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.435 ' OE1' ' HA ' ' A' ' 8' ' ' ALA . 1.4 mp0 -75.78 -40.25 55.52 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 8' ' ' ALA . 94.8 mt -61.85 -44.06 97.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.272 178.107 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -68.05 -40.21 82.86 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.87 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -61.16 -43.84 98.26 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-O 120.862 0.363 . . . . 0.0 110.133 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.3 tp -66.48 -31.57 72.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.696 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -74.38 -37.73 63.35 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 120.927 0.394 . . . . 0.0 110.308 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -77.1 -30.81 55.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.594 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -69.35 -32.94 72.34 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.19 0.519 . . . . 0.0 109.661 178.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 75.4 mtp85 -82.55 80.1 8.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.12 176.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 -87.25 -7.1 58.24 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.644 -179.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.546 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 34.3 mt-10 -55.05 -50.99 67.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.762 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.53 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 45.1 mt-10 -64.39 -29.38 70.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.076 -177.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.71 -26.57 64.41 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.098 0.475 . . . . 0.0 110.268 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -86.92 -34.05 19.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.787 177.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 21' ' ' GLU . 88.6 mt -65.43 -35.92 82.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.31 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 45.9 mt-10 -63.21 -35.41 80.24 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.104 0.478 . . . . 0.0 110.258 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 35.8 ttm105 -69.37 -40.42 77.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.581 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.4 tp -65.74 -28.74 69.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.241 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.545 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 56.0 mtpt -79.68 -21.76 44.28 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.133 178.075 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.5 m -77.27 -26.34 52.32 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -79.81 -14.67 58.52 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.126 177.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.462 ' HG2' ' ND1' ' A' ' 33' ' ' HIS . 39.2 ttm180 -61.41 134.1 56.53 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.73 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.462 ' ND1' ' HG2' ' A' ' 32' ' ' ARG . 71.2 m80 68.55 4.6 4.39 Favored 'General case' 0 C--N 1.366 1.314 0 C-N-CA 122.679 0.391 . . . . 0.0 111.707 -177.33 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -116.71 -19.6 9.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.889 0.376 . . . . 0.0 110.612 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -52.84 -43.21 65.86 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.571 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -61.15 -30.47 70.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.209 -178.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -70.01 -45.05 68.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.167 178.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -68.76 -34.83 76.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.805 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -67.65 -35.38 78.78 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.746 0.308 . . . . 0.0 110.446 177.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.29 -24.8 57.57 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.143 0.497 . . . . 0.0 109.661 178.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -72.37 -45.22 60.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.364 -0.834 . . . . 0.0 108.91 178.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -63.91 -49.99 70.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.929 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -59.3 -31.81 69.47 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.612 -176.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.57 -31.74 73.09 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 120.777 0.322 . . . . 0.0 110.893 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.3 mt -91.07 -30.93 16.48 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 120.991 0.424 . . . . 0.0 110.244 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -69.68 -34.79 74.44 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.466 -175.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -68.04 -25.38 65.34 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.747 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -78.28 -57.75 3.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.82 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.41 -16.56 64.3 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -175.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.12 -40.54 37.81 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.393 -0.523 . . . . 0.0 111.229 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -91.24 -48.59 6.84 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 120.955 0.407 . . . . 0.0 111.324 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -89.52 174.91 7.51 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.936 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.0 pt20 -139.05 137.16 36.02 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.226 -177.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -85.91 -5.78 59.18 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 121.504 0.668 . . . . 0.0 109.703 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -54.67 -33.83 61.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.891 -1.05 . . . . 0.0 111.315 178.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 78.7 mt -66.19 -25.67 67.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.003 0.43 . . . . 0.0 111.16 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -93.58 3.86 54.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.441 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 87.88 9.62 70.88 Favored Glycine 0 C--O 1.236 0.232 0 C-N-CA 120.64 -0.791 . . . . 0.0 111.641 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 64.61 -85.29 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.267 0.627 . . . . 0.0 111.578 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.1 mt -152.64 157.96 41.72 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.378 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 69.7 mtt-85 -108.12 -172.93 2.16 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 176.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -97.32 166.84 11.36 Favored 'General case' 0 N--CA 1.435 -1.19 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 175.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.5 pt -75.97 -17.42 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 120.527 -0.469 . . . . 0.0 112.037 -175.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -87.16 -3.51 59.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.705 0.288 . . . . 0.0 111.584 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -87.15 -5.66 58.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.303 0.573 . . . . 0.0 109.763 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.527 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 49.6 tttm -158.52 44.97 0.3 Allowed 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -179.337 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -71.02 5.56 1.99 Allowed 'General case' 0 C--N 1.342 0.252 0 CA-C-N 116.24 -0.436 . . . . 0.0 112.172 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.45 -16.45 55.36 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.989 0.423 . . . . 0.0 110.187 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 66' ' ' LYS . 17.7 mm-40 -63.33 -26.94 68.99 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.549 176.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -84.59 -7.21 59.33 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.383 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 99.2 mttt 67.89 -178.62 0.22 Allowed 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -175.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -150.67 -33.78 0.16 Allowed 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 119.513 -0.875 . . . . 0.0 112.546 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -113.0 -18.96 12.08 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -173.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -73.79 -31.06 63.09 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.42 -164.23 1.28 Allowed 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.824 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -114.26 -26.17 8.13 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.145 0.498 . . . . 0.0 110.003 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 . . . . . 0 N--CA 1.443 -0.802 0 CA-C-O 118.395 -0.812 . . . . 0.0 109.39 179.931 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.299 0 N-CA-C 112.124 -0.39 . . . . 0.0 112.124 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -75.6 -4.69 41.46 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -177.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -69.83 -8.15 9.89 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-O 121.143 0.497 . . . . 0.0 110.972 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -120.08 172.24 7.89 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -85.11 48.66 1.6 Allowed 'General case' 0 CA--C 1.536 0.418 0 O-C-N 122.156 -0.34 . . . . 0.0 111.85 -177.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.8 tp -65.41 -53.68 39.61 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.085 0.469 . . . . 0.0 110.222 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.6 p -107.7 177.32 4.86 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.524 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -118.48 20.43 13.02 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 121.135 0.493 . . . . 0.0 110.832 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -63.55 -30.27 71.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.804 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.31 -29.18 62.52 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.58 178.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -73.83 -43.35 59.0 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.7 mt -60.68 -40.86 93.7 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.327 177.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -58.63 -41.34 85.73 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.601 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.465 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 34.3 ttm105 -69.63 -48.78 58.78 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.063 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.67 -24.26 67.71 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -72.98 -28.61 62.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.087 178.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -89.92 -32.82 16.67 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.811 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 41.4 mt-10 -78.13 -65.84 0.92 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.726 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.3 mtm-85 59.24 22.27 10.51 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.317 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.432 ' O ' ' HG3' ' A' ' 24' ' ' GLU . 52.0 m80 -83.91 0.37 48.07 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -176.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.502 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 47.1 mt-10 -55.43 -57.13 13.14 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.014 0.435 . . . . 0.0 110.822 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -68.41 -24.44 64.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.314 -178.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.25 -30.95 69.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.978 0.418 . . . . 0.0 110.099 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.533 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 42.3 mt-10 -80.87 -38.49 28.04 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 177.325 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.514 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 88.2 mt -62.46 -35.97 81.0 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.286 -179.219 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -60.7 -41.6 95.52 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.952 0.406 . . . . 0.0 110.268 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -64.73 -40.11 94.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.157 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 24' ' ' GLU . 42.5 mt -73.04 -28.86 62.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.299 -178.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 73.8 mmtt -82.86 -27.52 30.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.909 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.7 m -89.18 -28.71 19.82 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.175 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -131.83 122.75 26.25 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.725 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -90.56 72.67 6.86 Favored 'General case' 0 N--CA 1.435 -1.181 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 176.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.551 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 11.6 p80 -53.73 -19.0 3.59 Favored 'General case' 0 C--N 1.362 1.116 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -178.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 t70 57.42 33.51 23.39 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.613 0.765 . . . . 0.0 112.34 175.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 73.84 -36.58 0.34 Allowed 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 175.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -54.26 -49.09 70.34 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -177.296 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.564 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 53.3 mtpt -61.08 -35.9 78.21 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.64 -179.111 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -66.56 -37.89 85.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.937 0.398 . . . . 0.0 110.729 -178.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -69.25 -28.82 66.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.408 177.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.11 -23.78 60.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.285 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.564 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 69.4 mt-10 -72.32 -53.96 10.88 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.772 178.358 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -66.8 -44.69 80.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.75 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -60.95 -43.48 98.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.811 -178.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.38 -27.1 46.77 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.747 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.3 tp -73.89 -39.3 63.99 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.151 -178.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -86.04 -28.18 24.3 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.181 -178.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -68.57 -36.29 78.55 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.443 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -80.24 -27.33 38.71 Favored 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.051 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.1 tp -70.0 -33.34 71.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.01 0.433 . . . . 0.0 110.355 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.06 -23.92 24.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 178.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -82.0 -39.65 23.29 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.361 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 73.65 -3.28 2.53 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 115.371 -0.832 . . . . 0.0 112.368 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 63.05 -163.77 0.26 Allowed 'General case' 0 C--O 1.237 0.422 0 C-N-CA 123.312 0.645 . . . . 0.0 111.449 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -107.59 135.39 49.12 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 36.5 p-80 -158.44 -173.16 4.16 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.033 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.63 -54.68 28.1 Favored 'General case' 0 C--N 1.338 0.09 0 CA-C-O 120.573 0.225 . . . . 0.0 110.984 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 48.1 t30 63.38 95.61 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.468 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -144.54 31.17 1.81 Allowed Glycine 0 C--N 1.312 -0.805 0 C-N-CA 120.147 -1.025 . . . . 0.0 112.319 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 62.18 32.41 17.31 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 120.844 0.354 . . . . 0.0 110.38 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.25 108.51 0.54 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.497 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.559 ' HD3' ' OE1' ' A' ' 65' ' ' GLU . 73.3 mtt180 -139.96 -170.77 3.02 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -127.82 175.22 8.5 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.737 -179.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 11.8 tt -78.28 -23.99 13.64 Favored 'Isoleucine or valine' 0 C--N 1.344 0.363 0 CA-C-O 121.48 0.657 . . . . 0.0 110.556 -178.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -98.95 37.5 1.52 Allowed 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.767 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.559 ' OE1' ' HD3' ' A' ' 61' ' ' ARG . 30.2 tt0 -52.36 -40.32 61.84 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.562 -179.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -78.12 -7.77 57.42 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.747 -177.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 64.12 15.5 9.34 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 122.869 0.468 . . . . 0.0 111.029 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.5 -2.47 58.16 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -175.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 61.12 23.41 13.61 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-O 120.745 0.307 . . . . 0.0 111.109 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 70' ' ' ARG . 53.0 mtp180 63.66 18.59 11.21 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.355 -177.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt 64.74 10.6 6.15 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.303 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 41.55 37.19 0.66 Allowed 'General case' 0 C--N 1.36 1.025 0 C-N-CA 124.058 0.943 . . . . 0.0 111.559 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -55.09 159.66 2.38 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.583 -176.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.463 ' HG3' ' H ' ' A' ' 76' ' ' GLU . 9.8 pt-20 -81.77 -4.81 57.3 Favored 'General case' 0 C--N 1.344 0.35 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -174.388 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 63.11 24.45 14.45 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 120.831 0.348 . . . . 0.0 110.637 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.463 ' H ' ' HG3' ' A' ' 74' ' ' GLU . 34.0 tt0 66.31 66.72 0.47 Allowed 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.683 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 . . . . . 0 C--O 1.252 1.212 0 CA-C-O 118.863 -0.589 . . . . 0.0 112.255 176.519 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.378 0 N-CA-C 111.707 -0.557 . . . . 0.0 111.707 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -113.03 -33.1 6.15 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.787 0.327 . . . . 0.0 111.041 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.6 t -75.01 -40.05 44.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -109.22 163.94 12.91 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 176.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -91.32 9.81 29.96 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 118.429 0.559 . . . . 0.0 111.208 -178.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.5 mt -105.06 -164.4 1.04 Allowed 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 176.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 45.0 p -96.27 174.95 6.63 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.505 -0.478 . . . . 0.0 109.923 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.405 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -77.95 -27.53 49.31 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 120.397 -0.521 . . . . 0.0 109.955 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -72.91 -31.24 64.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.333 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.57 -32.48 72.43 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.354 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -75.23 -42.5 55.19 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.993 0.425 . . . . 0.0 110.247 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 8' ' ' ALA . 86.3 mt -64.99 -38.58 91.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.862 178.002 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -65.14 -41.84 94.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.426 178.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -56.46 -50.35 71.98 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.744 178.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.9 mt -67.55 -27.67 67.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.683 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -82.81 -38.55 22.95 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.887 0.375 . . . . 0.0 110.775 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -69.63 -30.13 67.78 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -75.83 -15.72 60.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.125 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 71.73 124.39 0.03 OUTLIER 'General case' 0 C--N 1.343 0.286 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.004 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -70.15 -49.29 51.99 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.616 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 70.27 -59.15 0.53 Allowed 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 177.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -62.47 -28.13 69.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.525 0.203 . . . . 0.0 111.179 -176.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.94 -28.48 68.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.023 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -86.86 -37.81 17.36 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 75.9 mt -71.01 -32.06 68.74 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.035 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -76.05 -39.72 54.93 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 177.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -62.07 -34.39 76.18 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.096 -0.957 . . . . 0.0 109.882 178.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.9 tp -61.04 -31.46 71.1 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.234 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -72.47 -28.66 63.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.341 . . . . 0.0 110.459 -178.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.7 m -91.06 -26.75 19.01 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.073 0.463 . . . . 0.0 110.587 177.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -73.03 -33.97 66.05 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.174 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -94.92 163.25 13.41 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -97.37 172.59 7.67 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 118.978 0.808 . . . . 0.0 110.262 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -136.72 106.13 6.09 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.456 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 10.8 t-80 -162.74 -46.16 0.04 OUTLIER 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.919 -177.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -57.64 -36.94 72.51 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.111 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -60.61 -44.51 96.23 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.925 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.433 ' O ' ' HB3' ' A' ' 41' ' ' GLU . 49.0 tttm -74.59 -23.18 58.7 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.603 -178.26 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 35' ' ' HIS . 46.9 mt-10 -69.4 -30.8 68.85 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 175.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.98 -20.33 52.84 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.433 ' HB3' ' O ' ' A' ' 38' ' ' LYS . 1.5 tm-20 -71.59 -46.05 60.39 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 175.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.11 -47.16 84.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.964 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -63.06 -29.75 71.06 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.383 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.59 -26.58 68.06 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.792 0.33 . . . . 0.0 111.07 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.3 tp -84.35 -29.93 25.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.043 179.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -75.12 -36.16 61.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.769 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -71.16 -28.71 64.45 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 120.867 0.365 . . . . 0.0 110.761 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -83.82 -42.54 16.34 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.588 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.9 tp -62.45 -25.88 68.21 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.028 0.442 . . . . 0.0 110.885 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.7 -18.46 37.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.95 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -88.91 -51.39 5.65 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.258 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 49.0 pttt -165.27 -171.29 2.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.671 178.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 52.5 tt0 64.1 11.85 6.53 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.903 0.858 . . . . 0.0 109.928 -176.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -60.78 145.66 48.89 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -100.78 -39.83 7.63 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.8 mt 56.43 -171.79 0.08 Allowed 'General case' 0 CA--C 1.542 0.669 0 O-C-N 123.665 0.603 . . . . 0.0 111.277 -178.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.517 ' HB3' HD12 ' A' ' 63' ' ' ILE . 95.2 m-20 60.76 8.49 1.82 Allowed 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 178.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 65.89 16.72 64.32 Favored Glycine 0 CA--C 1.519 0.318 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.996 -177.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 60.1 23.24 12.48 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 121.056 0.455 . . . . 0.0 110.958 -178.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.0 mt -90.2 132.54 35.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.121 0.486 . . . . 0.0 111.621 -178.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -89.7 -10.99 43.69 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.371 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -64.63 -19.08 65.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.751 -178.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.517 HD12 ' HB3' ' A' ' 57' ' ' ASN . 37.8 mt -68.8 -31.13 49.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.103 0.478 . . . . 0.0 110.281 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -84.24 -14.19 50.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.435 0.636 . . . . 0.0 109.794 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -91.33 107.99 19.58 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.583 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -76.85 -26.32 54.16 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.591 178.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 53.63 43.45 31.12 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 123.686 0.617 . . . . 0.0 110.303 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.14 -2.73 29.05 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.421 -179.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.509 ' HG3' ' H ' ' A' ' 71' ' ' LYS . 9.6 tp10 70.02 -74.68 0.08 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.382 0.673 . . . . 0.0 111.652 178.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 70' ' ' ARG . 54.7 ttp180 62.52 19.27 11.11 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 121.552 0.691 . . . . 0.0 110.654 179.548 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.509 ' H ' ' HG3' ' A' ' 69' ' ' GLU . 86.8 tttt -65.6 -43.43 89.71 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.348 -176.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -81.62 -6.38 58.95 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.146 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.608 ' HG2' ' OXT' ' A' ' 77' ' ' GLN . 46.3 tttp 61.25 -165.13 0.23 Allowed 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.594 ' H ' ' HG2' ' A' ' 73' ' ' LYS . 5.7 tp10 66.85 9.55 6.88 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 176.128 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.82 -47.44 21.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.473 0.654 . . . . 0.0 109.242 178.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -131.44 -36.98 1.24 Allowed 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 115.065 -0.97 . . . . 0.0 108.726 175.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.608 ' OXT' ' HG2' ' A' ' 73' ' ' LYS . 35.9 tt0 . . . . . 0 C--O 1.25 1.112 0 CA-C-N 114.825 -1.08 . . . . 0.0 108.284 175.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 . . . . . 0 CA--C 1.534 0.35 0 CA-C-O 120.83 0.348 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -82.04 -44.5 16.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.708 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.44 -44.02 92.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.338 -178.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.448 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 14.0 t -68.02 -20.23 64.98 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.38 -178.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.65 -30.16 70.35 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.701 0.286 . . . . 0.0 111.001 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -84.25 -26.14 28.88 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 120.961 0.41 . . . . 0.0 110.14 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.15 -31.65 49.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.318 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 7' ' ' THR . 16.8 mm-40 -76.47 -36.92 57.61 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.018 0.437 . . . . 0.0 109.827 178.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.1 tp -64.49 -33.21 75.37 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.585 177.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -69.4 -27.79 65.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.623 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.406 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 46.1 mtp180 -64.79 -34.94 79.54 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 120.996 0.427 . . . . 0.0 110.105 177.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.1 mt -68.23 -24.87 64.96 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.121 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -79.92 -16.09 55.99 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.637 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -90.83 -32.7 15.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.993 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 28.4 mm-40 -70.03 -55.27 9.97 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-O 120.726 0.298 . . . . 0.0 110.672 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.4 mtm-85 63.97 174.83 0.18 Allowed 'General case' 0 C--O 1.238 0.481 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 175.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -129.81 -14.57 4.01 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.253 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.4 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 1.6 mp0 -54.45 -49.18 70.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.864 -178.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -66.89 -29.93 69.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.787 0.327 . . . . 0.0 111.095 -177.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.86 -21.85 37.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.112 0.482 . . . . 0.0 110.663 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -85.67 -40.46 16.14 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 21' ' ' GLU . 96.8 mt -69.98 -26.48 64.11 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.766 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -60.88 -34.08 74.08 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.252 0.548 . . . . 0.0 110.202 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -69.24 -46.22 67.86 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.343 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.7 tp -73.69 -25.15 60.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.716 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -66.82 -22.29 66.01 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.797 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.9 t -73.96 -26.62 60.58 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 56.09 29.46 14.61 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.349 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.434 ' HA ' ' ND1' ' A' ' 35' ' ' HIS . 53.6 mtp85 68.85 14.47 8.92 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.428 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -71.76 -24.49 61.77 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -70.28 -21.9 62.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.164 177.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.434 ' ND1' ' HA ' ' A' ' 32' ' ' ARG . 59.9 m80 -73.79 -33.9 64.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.537 177.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -66.25 -30.55 71.02 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.47 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -57.67 -42.19 83.1 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.762 177.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -71.44 -26.66 62.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.501 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -73.57 -25.48 60.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.892 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.77 -28.42 68.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.628 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.472 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -73.25 -34.74 66.02 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.029 0.442 . . . . 0.0 110.038 176.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.9 mmt-85 -72.35 -44.17 62.99 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -61.44 -34.33 75.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.856 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.66 -23.17 65.3 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.803 0.335 . . . . 0.0 111.095 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 86.3 mt -73.38 -33.95 65.3 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.428 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -87.38 -31.38 20.14 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.21 -32.06 73.54 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.722 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -88.72 -42.85 11.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.684 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.03 -44.61 92.03 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.589 -177.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.83 -21.02 59.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.532 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.7 t70 . . . . . 0 C--N 1.326 -0.455 0 CA-C-O 120.799 0.333 . . . . 0.0 110.768 179.853 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.9 tttp 53.52 28.58 7.89 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.881 176.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.5 mt -70.13 -31.3 68.76 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 120.868 0.366 . . . . 0.0 110.615 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.417 ' C ' ' H ' ' A' ' 9' ' ' ASP . 24.6 p -84.52 -27.57 27.3 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.15 0.5 . . . . 0.0 109.653 176.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.44 ' C ' ' H ' ' A' ' 10' ' ' ALA . . . 68.99 -12.67 0.38 Allowed 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 115.208 -0.905 . . . . 0.0 112.622 177.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.417 ' H ' ' C ' ' A' ' 7' ' ' THR . 59.5 m-20 70.94 -25.1 0.17 Allowed 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.704 0.801 . . . . 0.0 112.236 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.44 ' H ' ' C ' ' A' ' 8' ' ' ALA . . . -63.93 -25.23 68.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.342 -179.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -64.52 -29.18 70.22 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.695 0.283 . . . . 0.0 110.922 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.5 tp -74.83 -40.64 60.95 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -61.27 -44.15 97.71 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.024 178.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.562 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 60.7 mtp180 -65.22 -45.77 83.37 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.444 178.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.0 tp -58.86 -31.8 68.86 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.907 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -60.92 -45.11 95.98 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.443 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . 80.4 m-20 -73.27 -33.7 65.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.845 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.562 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 11.2 mm-40 -61.71 -37.44 84.19 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 121.407 0.623 . . . . 0.0 110.473 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -89.3 -2.28 58.39 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.086 -177.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.9 m170 -102.9 -47.57 4.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.892 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 65.91 -60.71 0.29 Allowed 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 123.831 0.852 . . . . 0.0 112.892 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -69.63 -27.97 65.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.911 0.386 . . . . 0.0 110.593 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.632 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -68.5 -25.16 64.82 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.888 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.443 ' HG2' ' HB3' ' A' ' 17' ' ' ASN . 40.2 mt-10 -66.66 -39.39 88.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.209 0.528 . . . . 0.0 110.096 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.401 ' O ' ' HE3' ' A' ' 29' ' ' LYS . 43.7 mt -72.33 -20.6 61.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.598 178.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -86.44 -41.93 14.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.813 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.632 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 22.9 mtp180 -59.12 -34.12 71.66 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.25 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.7 tp -65.5 -26.39 67.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.975 0.416 . . . . 0.0 110.705 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 78.9 mttt -87.32 -29.94 21.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.018 0.437 . . . . 0.0 110.182 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.2 t -90.39 -32.25 16.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.18 -176.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -94.07 18.0 11.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.156 0.503 . . . . 0.0 111.02 -176.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 2.9 ptp180 -77.65 -8.15 57.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.666 178.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -114.71 170.83 8.03 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -171.41 -33.06 0.02 OUTLIER 'General case' 0 C--N 1.343 0.304 0 CA-C-O 120.755 0.312 . . . . 0.0 111.409 -178.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.523 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 72.4 m80 -66.32 -49.71 66.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.561 -177.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -57.04 -37.02 71.18 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.63 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -64.92 -51.69 60.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.448 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -61.93 -36.56 81.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.406 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' A' ' 35' ' ' HIS . 49.9 mt-10 -61.73 -32.31 72.53 Favored 'General case' 0 C--O 1.227 -0.112 0 CA-C-O 120.681 0.276 . . . . 0.0 110.593 178.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.72 -34.97 27.08 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.833 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -67.71 -41.85 82.89 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.964 0.412 . . . . 0.0 110.556 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -64.78 -50.93 64.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.616 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -65.33 -31.81 73.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.686 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.73 -20.68 61.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.963 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.6 tp -89.65 -35.56 15.75 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.809 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -70.91 -28.89 64.86 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.722 0.296 . . . . 0.0 110.524 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -66.87 -34.88 78.77 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -74.21 -31.95 62.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.942 0.401 . . . . 0.0 110.658 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.3 tp -75.35 -23.5 57.22 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.933 179.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.82 -16.17 57.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.961 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.7 t70 . . . . . 0 C--N 1.319 -0.733 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.777 179.94 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 . . . . . 0 CA--C 1.551 1.018 0 N-CA-C 110.356 -0.238 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 44.5 pttt -122.07 15.62 10.74 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.927 -0.483 . . . . 0.0 110.836 177.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.3 tp 55.99 29.32 14.15 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.166 175.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.2 m 63.44 20.02 12.02 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-O 121.261 0.553 . . . . 0.0 111.139 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.11 5.17 10.64 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.149 0.499 . . . . 0.0 110.966 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -69.42 -29.52 67.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.207 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.23 -22.63 63.84 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.48 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -78.41 -47.23 18.0 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.611 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.9 tp -58.96 -42.46 89.94 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.765 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -66.4 -38.34 87.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.846 178.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -63.68 -52.55 60.16 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.166 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.8 mp -65.03 -26.93 68.47 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -80.51 -33.35 36.49 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.804 0.335 . . . . 0.0 110.571 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -85.04 -34.54 22.27 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.574 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -76.9 -67.52 0.7 Allowed 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 65.4 -69.27 0.1 Allowed 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 172.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 50.1 p-80 -138.28 3.64 2.38 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.567 0.222 . . . . 0.0 111.535 -175.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -66.08 -48.27 71.54 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -176.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -71.57 -32.92 68.62 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.371 -177.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.97 -25.92 56.29 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.906 -0.317 . . . . 0.0 110.606 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -72.0 -52.0 19.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.002 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.9 tp -65.09 -30.77 71.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.562 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -72.46 -29.0 63.28 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.125 0.488 . . . . 0.0 109.759 178.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -69.96 -42.43 73.21 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.2 mt -66.55 -22.48 66.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.175 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -85.07 -31.96 23.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.08 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.3 m -77.52 -36.82 52.12 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.252 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -143.06 145.58 33.02 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 178.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -166.9 -33.8 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 118.233 0.47 . . . . 0.0 110.452 -175.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -123.41 -172.67 2.56 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.355 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -64.1 -27.06 68.84 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.823 -177.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -49.73 -36.69 26.47 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -177.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -67.04 -56.61 9.34 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.077 0.465 . . . . 0.0 112.118 -178.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -86.21 -18.23 32.71 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -173.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -63.27 -38.49 91.36 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.194 0.521 . . . . 0.0 109.671 176.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -75.27 -29.95 60.29 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.671 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.34 -27.43 59.2 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-O 121.077 0.465 . . . . 0.0 109.824 178.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -69.9 -42.85 72.83 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -62.82 -43.78 97.9 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.045 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -58.14 -36.53 73.1 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.009 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.17 -19.28 63.99 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.025 0.44 . . . . 0.0 110.701 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.1 tp -90.3 -36.69 14.54 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.777 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -81.93 -34.56 29.8 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -177.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.07 -32.13 68.73 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.223 177.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -75.17 -27.95 59.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 177.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.7 tp -68.81 -34.75 76.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.474 177.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.74 -26.0 61.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.788 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.8 t70 . . . . . 0 N--CA 1.464 0.262 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.28 176.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 . . . . . 0 N--CA 1.447 -0.589 0 CA-C-O 120.637 0.256 . . . . 0.0 110.683 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -83.95 -39.13 20.14 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -178.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 pp -68.19 -16.72 64.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.028 178.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.7 m -70.64 -38.28 73.84 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.04 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.418 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -79.13 -29.15 42.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.051 178.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -68.71 -25.01 64.55 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.022 178.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.87 -33.43 75.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.639 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -82.48 -35.61 27.28 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 8' ' ' ALA . 93.2 mt -60.99 -45.41 94.92 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.833 177.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -66.72 -38.94 87.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.785 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -57.28 -46.04 83.49 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.544 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.6 mt -74.3 -30.51 62.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -73.23 -37.21 66.46 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.046 0.451 . . . . 0.0 110.257 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -75.8 -16.91 60.03 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.046 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -87.04 -44.23 11.73 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.521 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 66.57 105.53 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.844 0.858 . . . . 0.0 111.487 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -67.31 -29.05 68.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.92 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.44 ' HG2' HD13 ' A' ' 25' ' ' LEU . 16.7 tt0 -61.68 -44.72 96.41 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.171 0.51 . . . . 0.0 110.074 178.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -65.75 -27.37 68.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.691 -177.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.81 -27.37 61.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.333 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -79.98 -49.21 12.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.946 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.44 HD13 ' HG2' ' A' ' 21' ' ' GLU . 9.8 mp -62.53 -34.84 77.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.619 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -66.07 -46.12 78.9 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -58.01 -48.1 81.04 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.814 -1.084 . . . . 0.0 110.971 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.8 tp -74.05 -30.03 62.2 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.979 -177.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -80.79 -29.45 36.1 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.274 -176.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.468 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 77.3 p -89.4 -8.08 53.84 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.748 -178.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' A' ' 30' ' ' SER . 4.2 mm-40 71.56 30.21 2.49 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-O 121.283 0.564 . . . . 0.0 110.214 -176.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.0 tpp180 -73.63 81.15 1.52 Allowed 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.818 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -79.29 -179.31 6.68 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.706 -0.621 . . . . 0.0 110.389 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.651 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 4.0 p-10 -69.72 -32.84 71.64 Favored 'General case' 0 CA--C 1.518 -0.259 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.084 -176.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -55.55 -37.91 68.6 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -66.7 -40.05 88.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.858 0.361 . . . . 0.0 110.656 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -70.14 -36.49 74.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.265 179.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.651 ' HG2' ' O ' ' A' ' 34' ' ' ASP . 33.4 mmtp -63.81 -46.36 85.5 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -65.0 -31.93 73.41 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.503 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.06 -26.73 68.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.056 0.455 . . . . 0.0 110.353 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 40.0 tt0 -88.34 -50.65 6.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.338 178.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.0 mtm180 -63.17 -31.86 73.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.026 -178.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -68.14 -33.73 75.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.006 0.431 . . . . 0.0 109.946 177.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.85 -25.58 56.35 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.092 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 88.5 mt -70.3 -28.44 65.18 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.313 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -82.54 -36.32 26.44 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.01 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -69.66 -30.86 68.64 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.205 0.526 . . . . 0.0 109.634 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -62.5 -36.68 83.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.462 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 45' ' ' LEU . 4.3 mm? -88.39 -35.78 16.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.211 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.48 -37.16 79.87 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.656 0.265 . . . . 0.0 111.524 -179.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 C--N 1.325 -0.463 0 CA-C-O 121.061 0.458 . . . . 0.0 110.005 178.63 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 . . . . . 0 N--CA 1.45 -0.428 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -161.22 -162.35 0.9 Allowed 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -177.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.4 tp 66.18 16.82 10.58 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.48 0.657 . . . . 0.0 111.054 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.3 t -105.01 -171.64 1.95 Allowed 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 61.53 12.9 4.74 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 120.947 0.403 . . . . 0.0 111.83 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -64.14 -36.3 83.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.504 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.6 -25.81 64.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -79.02 -46.85 17.33 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.2 tp -60.77 -44.05 97.27 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.713 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -68.91 -33.71 74.21 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.226 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 14' ' ' ARG . 44.8 ttp180 -68.15 -52.42 34.85 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.246 179.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.04 -29.89 71.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.804 -178.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -78.11 -33.82 50.38 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -89.47 -29.92 18.66 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.629 -0.429 . . . . 0.0 111.105 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -68.65 -47.89 65.39 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 60.34 -164.09 0.23 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.779 177.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -112.78 -174.9 2.55 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.48 ' CD ' ' H ' ' A' ' 21' ' ' GLU . 1.1 mp0 -69.18 -25.7 64.47 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.145 0.498 . . . . 0.0 110.566 -178.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -62.02 -30.02 70.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.82 -176.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.72 -25.93 62.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.912 0.387 . . . . 0.0 110.834 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -88.38 -52.42 5.21 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.99 0.424 . . . . 0.0 110.747 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.96 -33.72 74.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.655 -175.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -71.67 -37.19 70.81 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.962 -178.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 27' ' ' ARG . 50.9 mtm180 -67.68 -43.31 80.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.83 0.348 . . . . 0.0 110.333 178.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 73.7 mt -68.59 -26.43 65.38 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -73.93 -19.88 60.55 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.349 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.3 p -78.06 -9.85 59.34 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.158 -179.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 61.18 56.74 2.64 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.549 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.9 tpt180 -60.11 -22.61 63.01 Favored 'General case' 0 C--N 1.346 0.438 0 CA-C-O 120.725 0.298 . . . . 0.0 111.003 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -60.1 -20.81 60.04 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.836 178.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -59.73 -30.64 68.96 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.679 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -68.87 -31.47 70.43 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.1 0.476 . . . . 0.0 109.937 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -77.45 -44.81 27.73 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.708 177.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -57.54 -47.5 81.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.13 177.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -63.75 -30.81 71.87 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.79 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -63.12 -38.93 93.14 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.041 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.69 -30.81 18.84 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.588 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -75.93 -39.0 57.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.622 -177.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.6 ttp-105 -58.8 -41.77 87.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.103 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -65.57 -30.35 71.08 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.566 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 48' ' ' LYS . . . -67.97 -31.86 71.88 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.737 -179.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.8 tp -89.92 -31.59 17.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.629 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -74.21 -34.6 63.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.997 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -67.97 -27.79 66.89 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.622 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 44' ' ' ALA . 99.4 mttt -71.4 -18.99 62.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.051 0.453 . . . . 0.0 109.997 177.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.3 mt -89.32 -46.16 8.96 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.904 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.72 -41.52 23.45 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.8 t70 . . . . . 0 C--O 1.237 0.421 0 CA-C-O 121.159 0.504 . . . . 0.0 110.142 -179.691 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 . . . . . 0 CA--C 1.546 0.791 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -87.43 -16.24 35.42 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.987 0.423 . . . . 0.0 111.144 -178.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 pp -156.31 174.12 15.87 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.134 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.4 p -104.48 -22.22 13.33 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 120.834 0.349 . . . . 0.0 110.266 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 68.5 4.63 4.38 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.785 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -109.94 -22.6 11.77 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.6 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.88 -28.3 69.94 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.373 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -78.77 -23.64 45.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.226 0.536 . . . . 0.0 110.146 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.8 mt -85.51 -19.47 31.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.37 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -55.23 -28.81 55.83 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.026 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -61.42 -41.31 96.97 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.064 0.459 . . . . 0.0 110.47 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.488 HD12 ' HB3' ' A' ' 20' ' ' HIS . 24.2 tp -66.84 -27.65 67.71 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.081 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -83.35 -50.99 7.8 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.317 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -59.9 -36.23 76.55 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.943 -177.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -86.25 -7.54 58.44 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.933 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 55.84 31.06 16.96 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.931 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.488 ' HB3' HD12 ' A' ' 15' ' ' LEU . 53.7 t-80 -60.23 -38.82 84.6 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.648 -178.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -65.31 -40.94 94.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.896 0.379 . . . . 0.0 110.26 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.96 -36.01 82.16 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.175 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.29 -23.83 61.25 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 121.02 0.438 . . . . 0.0 110.584 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -77.53 -56.92 4.13 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.872 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.455 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 9.8 mp -66.66 -31.62 72.41 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.522 -177.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -61.11 -45.43 94.71 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.017 0.437 . . . . 0.0 110.915 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.586 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 62.4 mtt180 -70.23 -19.94 63.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.902 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.3 mt -82.71 -23.59 34.01 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.098 0.475 . . . . 0.0 109.778 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 98.4 mttt -85.54 -27.11 25.78 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.795 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.1 p -71.12 -42.87 68.66 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.068 0.461 . . . . 0.0 110.176 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.586 ' HG2' ' O ' ' A' ' 27' ' ' ARG . 6.6 mm-40 -73.95 -8.54 56.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.271 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -77.0 -6.11 51.37 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.034 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 38.0 m-70 -88.2 22.8 2.32 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.895 178.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -72.44 171.51 12.16 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.391 -178.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -62.84 -20.5 65.14 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 -177.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -53.45 -46.12 69.77 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.353 178.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.45 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 87.4 tttt -72.35 -43.53 63.93 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.52 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -58.27 -41.88 85.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.645 -178.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -62.75 -34.5 77.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.053 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.96 -29.76 58.41 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.845 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 45.8 mt-10 -71.58 -46.49 59.16 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.073 0.463 . . . . 0.0 109.77 178.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.2 ttt-85 -64.97 -39.06 92.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.094 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -70.87 -28.71 64.77 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.656 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.8 -27.2 64.69 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.885 0.374 . . . . 0.0 110.641 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.8 mt -82.81 -27.78 30.68 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.128 0.49 . . . . 0.0 109.789 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -85.44 -23.31 27.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.852 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.5 -32.07 71.09 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.313 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -71.76 -32.93 68.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.132 0.491 . . . . 0.0 110.302 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.2 tp -75.56 -44.07 45.21 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.293 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.49 -23.19 62.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.759 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.0 t70 . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.209 179.616 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 . . . . . 0 CA--C 1.549 0.915 0 CA-C-O 120.798 0.332 . . . . 0.0 111.409 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -96.01 -33.82 11.99 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 176.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 73.6 mt -138.47 -47.75 0.52 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.066 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.9 m 58.68 -87.43 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.487 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -158.01 20.35 0.25 Allowed 'General case' 0 C--O 1.239 0.513 0 CA-C-O 120.797 0.332 . . . . 0.0 110.875 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -69.39 -29.11 66.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.33 -178.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.92 -27.08 61.65 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.31 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -72.43 -48.99 36.84 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.81 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.4 tp -61.51 -38.03 85.85 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.407 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -58.81 -45.55 89.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.554 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -65.42 -43.95 88.93 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.927 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.444 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 87.3 mt -63.7 -34.53 78.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -75.78 -21.83 57.0 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.672 0.272 . . . . 0.0 111.385 -177.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -64.46 -24.67 67.7 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 120.896 0.379 . . . . 0.0 111.08 179.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -101.84 -1.05 33.07 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.244 0.545 . . . . 0.0 110.352 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 96.9 mtt180 -114.08 90.39 3.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.147 -179.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -95.38 29.62 2.48 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.441 -177.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.62 -44.45 93.45 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.482 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -71.09 -24.94 62.4 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.342 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.16 -29.83 48.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.853 0.359 . . . . 0.0 110.532 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -77.35 -44.71 28.45 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 120.99 0.424 . . . . 0.0 109.888 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.2 tp -62.66 -27.61 69.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.13 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -74.84 -36.48 62.37 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.1 ttp85 -68.35 -47.69 66.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.871 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.7 mt -66.96 -23.84 66.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.621 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.2 tttm -68.95 -34.96 76.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.553 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.3 t -90.73 -33.78 15.63 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.274 177.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -95.19 65.8 2.86 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.672 -177.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.457 ' O ' ' HB2' ' A' ' 33' ' ' HIS . 1.5 tmt_? -69.71 -24.53 63.58 Favored 'General case' 0 C--N 1.343 0.312 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 177.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.457 ' HB2' ' O ' ' A' ' 32' ' ' ARG . 54.0 m80 82.95 173.64 0.09 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.577 1.151 . . . . 0.0 111.911 179.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -178.37 159.23 1.19 Allowed 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.541 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 56.5 t-80 71.78 -58.2 0.59 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.013 0.525 . . . . 0.0 111.576 -178.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.416 ' OD2' ' HB3' ' A' ' 33' ' ' HIS . 6.6 p-10 -55.79 -40.38 72.6 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 120.998 0.427 . . . . 0.0 110.81 -179.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -73.99 -45.94 46.88 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.681 178.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -61.82 -51.94 66.2 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -176.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 35' ' ' HIS . 22.7 mm-40 -62.15 -33.67 74.94 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.631 0.253 . . . . 0.0 111.529 -176.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.44 -28.07 23.75 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.799 0.333 . . . . 0.0 111.323 -178.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -75.82 -32.53 59.87 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 42' ' ' ARG . 38.7 ttm180 -63.94 -33.32 75.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.394 177.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -69.12 -37.64 78.45 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.705 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.85 -28.84 67.9 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 120.896 0.379 . . . . 0.0 110.704 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.2 mt -80.78 -18.81 46.4 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.728 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -85.74 -32.07 22.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.842 -178.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -66.02 -26.29 67.45 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.056 0.455 . . . . 0.0 110.248 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -66.46 -32.3 73.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.815 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.0 tp -69.42 -40.6 77.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.083 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.87 -26.39 63.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.851 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.7 t70 . . . . . 0 C--O 1.237 0.422 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.191 178.739 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 . . . . . 0 N--CA 1.455 -0.224 0 CA-C-O 121.184 0.516 . . . . 0.0 109.693 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -121.09 30.5 6.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.803 -178.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.32 -17.04 63.29 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.305 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.0 m -71.85 -17.51 62.13 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.471 0.653 . . . . 0.0 109.849 176.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.435 ' HA ' ' OE1' ' A' ' 11' ' ' GLU . . . -108.9 24.64 12.82 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.69 178.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -55.8 -41.14 73.69 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.906 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.95 -31.27 70.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.778 0.323 . . . . 0.0 110.785 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.435 ' OE1' ' HA ' ' A' ' 8' ' ' ALA . 1.4 mp0 -75.78 -40.25 55.52 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 8' ' ' ALA . 94.8 mt -61.85 -44.06 97.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.272 178.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -68.05 -40.21 82.86 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.87 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -61.16 -43.84 98.26 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-O 120.862 0.363 . . . . 0.0 110.133 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.3 tp -66.48 -31.57 72.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.696 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -74.38 -37.73 63.35 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 120.927 0.394 . . . . 0.0 110.308 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -77.1 -30.81 55.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.594 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -69.35 -32.94 72.34 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.19 0.519 . . . . 0.0 109.661 178.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 75.4 mtp85 -82.55 80.1 8.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.12 176.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 -87.25 -7.1 58.24 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.644 -179.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.546 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 34.3 mt-10 -55.05 -50.99 67.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.762 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.53 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 45.1 mt-10 -64.39 -29.38 70.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.076 -177.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.71 -26.57 64.41 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.098 0.475 . . . . 0.0 110.268 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -86.92 -34.05 19.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.787 177.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 21' ' ' GLU . 88.6 mt -65.43 -35.92 82.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.31 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 45.9 mt-10 -63.21 -35.41 80.24 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.104 0.478 . . . . 0.0 110.258 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 35.8 ttm105 -69.37 -40.42 77.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.581 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.4 tp -65.74 -28.74 69.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.241 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.545 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 56.0 mtpt -79.68 -21.76 44.28 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.133 178.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.5 m -77.27 -26.34 52.32 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -79.81 -14.67 58.52 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.126 177.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.462 ' HG2' ' ND1' ' A' ' 33' ' ' HIS . 39.2 ttm180 -61.41 134.1 56.53 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.73 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.462 ' ND1' ' HG2' ' A' ' 32' ' ' ARG . 71.2 m80 68.55 4.6 4.39 Favored 'General case' 0 C--N 1.366 1.314 0 C-N-CA 122.679 0.391 . . . . 0.0 111.707 -177.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -116.71 -19.6 9.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.889 0.376 . . . . 0.0 110.612 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -52.84 -43.21 65.86 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.571 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -61.15 -30.47 70.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.209 -178.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -70.01 -45.05 68.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.167 178.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -68.76 -34.83 76.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.805 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -67.65 -35.38 78.78 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.746 0.308 . . . . 0.0 110.446 177.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.29 -24.8 57.57 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.143 0.497 . . . . 0.0 109.661 178.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -72.37 -45.22 60.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.364 -0.834 . . . . 0.0 108.91 178.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -63.91 -49.99 70.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.929 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -59.3 -31.81 69.47 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.612 -176.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.57 -31.74 73.09 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 120.777 0.322 . . . . 0.0 110.893 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.3 mt -91.07 -30.93 16.48 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 120.991 0.424 . . . . 0.0 110.244 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -69.68 -34.79 74.44 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.466 -175.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -68.04 -25.38 65.34 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.747 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -78.28 -57.75 3.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.82 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.41 -16.56 64.3 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -175.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.12 -40.54 37.81 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.393 -0.523 . . . . 0.0 111.229 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 . . . . . 0 CA--C 1.511 -0.537 0 CA-C-O 120.955 0.407 . . . . 0.0 111.324 179.856 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 . . . . . 0 CA--C 1.551 1.004 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -85.11 48.66 1.6 Allowed 'General case' 0 CA--C 1.536 0.418 0 O-C-N 122.156 -0.34 . . . . 0.0 111.85 -177.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.8 tp -65.41 -53.68 39.61 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.085 0.469 . . . . 0.0 110.222 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.6 p -107.7 177.32 4.86 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.524 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -118.48 20.43 13.02 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 121.135 0.493 . . . . 0.0 110.832 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -63.55 -30.27 71.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.804 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.31 -29.18 62.52 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.58 178.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -73.83 -43.35 59.0 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.7 mt -60.68 -40.86 93.7 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.327 177.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -58.63 -41.34 85.73 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.601 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.465 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 34.3 ttm105 -69.63 -48.78 58.78 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.063 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.67 -24.26 67.71 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -72.98 -28.61 62.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.087 178.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -89.92 -32.82 16.67 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.811 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 41.4 mt-10 -78.13 -65.84 0.92 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.726 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.3 mtm-85 59.24 22.27 10.51 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.317 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.432 ' O ' ' HG3' ' A' ' 24' ' ' GLU . 52.0 m80 -83.91 0.37 48.07 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -176.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.502 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 47.1 mt-10 -55.43 -57.13 13.14 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.014 0.435 . . . . 0.0 110.822 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -68.41 -24.44 64.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.314 -178.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.25 -30.95 69.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.978 0.418 . . . . 0.0 110.099 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.533 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 42.3 mt-10 -80.87 -38.49 28.04 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 177.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.514 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 88.2 mt -62.46 -35.97 81.0 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.286 -179.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -60.7 -41.6 95.52 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.952 0.406 . . . . 0.0 110.268 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -64.73 -40.11 94.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.157 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 24' ' ' GLU . 42.5 mt -73.04 -28.86 62.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.299 -178.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 73.8 mmtt -82.86 -27.52 30.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.909 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.7 m -89.18 -28.71 19.82 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.175 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -131.83 122.75 26.25 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.725 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -90.56 72.67 6.86 Favored 'General case' 0 N--CA 1.435 -1.181 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 176.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.551 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 11.6 p80 -53.73 -19.0 3.59 Favored 'General case' 0 C--N 1.362 1.116 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -178.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 t70 57.42 33.51 23.39 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.613 0.765 . . . . 0.0 112.34 175.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 73.84 -36.58 0.34 Allowed 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 175.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -54.26 -49.09 70.34 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -177.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.564 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 53.3 mtpt -61.08 -35.9 78.21 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.64 -179.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -66.56 -37.89 85.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.937 0.398 . . . . 0.0 110.729 -178.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -69.25 -28.82 66.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.408 177.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.11 -23.78 60.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.285 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.564 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 69.4 mt-10 -72.32 -53.96 10.88 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.772 178.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -66.8 -44.69 80.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.75 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -60.95 -43.48 98.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.811 -178.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.38 -27.1 46.77 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.747 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.3 tp -73.89 -39.3 63.99 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.151 -178.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -86.04 -28.18 24.3 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.181 -178.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -68.57 -36.29 78.55 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.443 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -80.24 -27.33 38.71 Favored 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.051 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.1 tp -70.0 -33.34 71.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.01 0.433 . . . . 0.0 110.355 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.06 -23.92 24.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 178.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.9 t70 . . . . . 0 N--CA 1.469 0.516 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.361 -179.779 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 . . . . . 0 CA--C 1.549 0.926 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -91.32 9.81 29.96 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 118.429 0.559 . . . . 0.0 111.208 -178.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.5 mt -105.06 -164.4 1.04 Allowed 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 176.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 45.0 p -96.27 174.95 6.63 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.505 -0.478 . . . . 0.0 109.923 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.405 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -77.95 -27.53 49.31 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 120.397 -0.521 . . . . 0.0 109.955 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -72.91 -31.24 64.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.333 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.57 -32.48 72.43 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.354 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -75.23 -42.5 55.19 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.993 0.425 . . . . 0.0 110.247 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 8' ' ' ALA . 86.3 mt -64.99 -38.58 91.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.862 178.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -65.14 -41.84 94.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.426 178.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -56.46 -50.35 71.98 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.744 178.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.9 mt -67.55 -27.67 67.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.683 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -82.81 -38.55 22.95 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.887 0.375 . . . . 0.0 110.775 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -69.63 -30.13 67.78 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -75.83 -15.72 60.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.125 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 71.73 124.39 0.03 OUTLIER 'General case' 0 C--N 1.343 0.286 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.004 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -70.15 -49.29 51.99 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.616 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 70.27 -59.15 0.53 Allowed 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 177.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -62.47 -28.13 69.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.525 0.203 . . . . 0.0 111.179 -176.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.94 -28.48 68.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.023 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -86.86 -37.81 17.36 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 75.9 mt -71.01 -32.06 68.74 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.035 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -76.05 -39.72 54.93 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 177.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -62.07 -34.39 76.18 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.096 -0.957 . . . . 0.0 109.882 178.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.9 tp -61.04 -31.46 71.1 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.234 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -72.47 -28.66 63.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.341 . . . . 0.0 110.459 -178.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.7 m -91.06 -26.75 19.01 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.073 0.463 . . . . 0.0 110.587 177.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -73.03 -33.97 66.05 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.174 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -94.92 163.25 13.41 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -97.37 172.59 7.67 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 118.978 0.808 . . . . 0.0 110.262 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -136.72 106.13 6.09 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.456 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 10.8 t-80 -162.74 -46.16 0.04 OUTLIER 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.919 -177.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -57.64 -36.94 72.51 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.111 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -60.61 -44.51 96.23 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.925 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.433 ' O ' ' HB3' ' A' ' 41' ' ' GLU . 49.0 tttm -74.59 -23.18 58.7 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.603 -178.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 35' ' ' HIS . 46.9 mt-10 -69.4 -30.8 68.85 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 175.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.98 -20.33 52.84 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.433 ' HB3' ' O ' ' A' ' 38' ' ' LYS . 1.5 tm-20 -71.59 -46.05 60.39 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 175.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.11 -47.16 84.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.964 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -63.06 -29.75 71.06 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.383 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.59 -26.58 68.06 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.792 0.33 . . . . 0.0 111.07 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.3 tp -84.35 -29.93 25.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.043 179.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -75.12 -36.16 61.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.769 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -71.16 -28.71 64.45 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 120.867 0.365 . . . . 0.0 110.761 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -83.82 -42.54 16.34 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.588 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.9 tp -62.45 -25.88 68.21 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.028 0.442 . . . . 0.0 110.885 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.7 -18.46 37.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.95 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.0 t70 . . . . . 0 C--N 1.324 -0.533 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.258 179.038 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.227 0 N-CA-C 111.982 -0.447 . . . . 0.0 111.982 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -123.4 19.34 9.72 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.422 0.629 . . . . 0.0 109.418 179.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.9 t -57.88 -29.32 35.41 Favored 'Isoleucine or valine' 0 C--O 1.236 0.367 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.367 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -55.66 -29.87 60.04 Favored 'General case' 0 CA--C 1.534 0.35 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.271 179.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.3 mttp -82.04 -44.5 16.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.708 -179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.44 -44.02 92.46 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.338 -178.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.448 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 14.0 t -68.02 -20.23 64.98 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.38 -178.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.65 -30.16 70.35 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.701 0.286 . . . . 0.0 111.001 -179.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -84.25 -26.14 28.88 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 120.961 0.41 . . . . 0.0 110.14 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -78.15 -31.65 49.88 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.318 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 7' ' ' THR . 16.8 mm-40 -76.47 -36.92 57.61 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.018 0.437 . . . . 0.0 109.827 178.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.1 tp -64.49 -33.21 75.37 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.585 177.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -69.4 -27.79 65.59 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.623 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.406 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 46.1 mtp180 -64.79 -34.94 79.54 Favored 'General case' 0 CA--C 1.517 -0.326 0 CA-C-O 120.996 0.427 . . . . 0.0 110.105 177.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.1 mt -68.23 -24.87 64.96 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.121 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp -79.92 -16.09 55.99 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.917 -0.583 . . . . 0.0 109.637 177.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -90.83 -32.7 15.97 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.993 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.406 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 28.4 mm-40 -70.03 -55.27 9.97 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-O 120.726 0.298 . . . . 0.0 110.672 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 30.4 mtm-85 63.97 174.83 0.18 Allowed 'General case' 0 C--O 1.238 0.481 0 N-CA-C 113.037 0.754 . . . . 0.0 113.037 175.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 73.8 t60 -129.81 -14.57 4.01 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.253 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.4 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 1.6 mp0 -54.45 -49.18 70.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.864 -178.213 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -66.89 -29.93 69.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.787 0.327 . . . . 0.0 111.095 -177.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -81.86 -21.85 37.28 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.112 0.482 . . . . 0.0 110.663 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -85.67 -40.46 16.14 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 21' ' ' GLU . 96.8 mt -69.98 -26.48 64.11 Favored 'General case' 0 C--O 1.22 -0.462 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.766 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -60.88 -34.08 74.08 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-O 121.252 0.548 . . . . 0.0 110.202 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 69.7 mtp180 -69.24 -46.22 67.86 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.343 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 66.7 tp -73.69 -25.15 60.1 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.716 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.4 tttt -66.82 -22.29 66.01 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.797 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.9 t -73.96 -26.62 60.58 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 177.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 56.09 29.46 14.61 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.349 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.434 ' HA ' ' ND1' ' A' ' 35' ' ' HIS . 53.6 mtp85 68.85 14.47 8.92 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.428 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -71.76 -24.49 61.77 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.495 -0.558 . . . . 0.0 109.495 177.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -70.28 -21.9 62.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.164 177.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.434 ' ND1' ' HA ' ' A' ' 32' ' ' ARG . 59.9 m80 -73.79 -33.9 64.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.537 177.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -66.25 -30.55 71.02 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.47 178.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -57.67 -42.19 83.1 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.762 177.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -71.44 -26.66 62.83 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.501 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -73.57 -25.48 60.38 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.892 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.77 -28.42 68.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.628 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.472 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 0.7 OUTLIER -73.25 -34.74 66.02 Favored 'General case' 0 CA--C 1.512 -0.514 0 CA-C-O 121.029 0.442 . . . . 0.0 110.038 176.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.9 mmt-85 -72.35 -44.17 62.99 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -61.44 -34.33 75.24 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.856 178.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.66 -23.17 65.3 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.803 0.335 . . . . 0.0 111.095 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.472 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 86.3 mt -73.38 -33.95 65.3 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.428 179.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -87.38 -31.38 20.14 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -65.21 -32.06 73.54 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.722 -178.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -88.72 -42.85 11.71 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.684 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -64.03 -44.61 92.03 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.589 -177.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -74.83 -21.02 59.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.532 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.31 -45.31 19.92 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.799 0.333 . . . . 0.0 110.768 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 49.3 tttt -66.37 -60.57 2.63 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.146 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.443 ' HG3' ' H ' ' A' ' 56' ' ' LEU . 11.4 pt20 43.69 27.67 0.18 Allowed 'General case' 0 N--CA 1.488 1.454 0 C-N-CA 124.604 1.162 . . . . 0.0 113.785 177.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 53.88 32.65 15.55 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 122.459 0.304 . . . . 0.0 111.199 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 34.5 t60 60.89 42.84 12.5 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.165 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.493 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 42.1 tp 68.6 19.7 8.55 Favored 'General case' 0 C--N 1.351 0.662 0 CA-C-O 121.258 0.551 . . . . 0.0 110.041 179.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 68.0 20.57 9.09 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.561 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.24 42.16 1.64 Allowed Glycine 0 N--CA 1.468 0.814 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.548 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -99.81 0.88 42.43 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.846 0.323 . . . . 0.0 110.566 179.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.412 ' O ' HG12 ' A' ' 63' ' ' ILE . 3.7 mm? 63.07 26.27 15.33 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.007 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -97.41 -19.92 18.14 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.216 0.531 . . . . 0.0 110.768 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -82.87 0.72 42.83 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.814 -177.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 60' ' ' LEU . 38.6 pt -94.26 -173.68 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.901 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -76.34 72.12 3.06 Favored 'General case' 0 CA--C 1.549 0.925 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.732 179.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -60.32 -48.05 83.41 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 120.734 0.302 . . . . 0.0 111.779 -179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 64.8 tttt -60.77 -35.75 77.22 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.05 -178.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.42 ' HA ' ' O ' ' A' ' 70' ' ' ARG . 27.8 tt0 -72.89 -20.06 61.16 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.123 0.487 . . . . 0.0 110.682 -178.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.78 -25.02 59.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.465 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -93.2 -53.87 3.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.999 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 67' ' ' GLU . 16.0 ttm180 -129.98 126.59 38.14 Favored 'General case' 0 C--N 1.316 -0.887 0 N-CA-C 108.763 -0.828 . . . . 0.0 108.763 177.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -88.42 -6.21 57.8 Favored 'General case' 0 C--N 1.346 0.416 0 CA-C-N 118.672 0.669 . . . . 0.0 111.122 -176.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 63.39 26.17 14.86 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.08 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -74.43 -18.44 60.65 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.342 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -71.64 -18.75 62.18 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.537 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.81 -166.42 1.5 Allowed 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -72.2 -34.32 68.29 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.402 -0.519 . . . . 0.0 111.017 -179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.2 tt0 . . . . . 0 C--O 1.248 0.985 0 CA-C-O 118.062 -0.97 . . . . 0.0 111.31 -179.323 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.432 0 N-CA-C 111.934 -0.467 . . . . 0.0 111.934 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 m 63.02 83.16 0.16 Allowed 'General case' 0 C--O 1.236 0.381 0 C-N-CA 122.96 0.504 . . . . 0.0 111.143 -179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.3 m -86.49 -25.45 6.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.82 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -78.59 -76.6 0.19 Allowed 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 36.9 tttp 53.52 28.58 7.89 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.881 176.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.5 mt -70.13 -31.3 68.76 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 120.868 0.366 . . . . 0.0 110.615 -179.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.417 ' C ' ' H ' ' A' ' 9' ' ' ASP . 24.6 p -84.52 -27.57 27.3 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 121.15 0.5 . . . . 0.0 109.653 176.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.44 ' C ' ' H ' ' A' ' 10' ' ' ALA . . . 68.99 -12.67 0.38 Allowed 'General case' 0 N--CA 1.484 1.252 0 CA-C-N 115.208 -0.905 . . . . 0.0 112.622 177.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.417 ' H ' ' C ' ' A' ' 7' ' ' THR . 59.5 m-20 70.94 -25.1 0.17 Allowed 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 123.704 0.801 . . . . 0.0 112.236 179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.44 ' H ' ' C ' ' A' ' 8' ' ' ALA . . . -63.93 -25.23 68.05 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.342 -179.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -64.52 -29.18 70.22 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-O 120.695 0.283 . . . . 0.0 110.922 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.5 tp -74.83 -40.64 60.95 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 177.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 45.7 tt0 -61.27 -44.15 97.71 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.024 178.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.562 ' O ' ' HG2' ' A' ' 18' ' ' GLU . 60.7 mtp180 -65.22 -45.77 83.37 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.444 178.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.0 tp -58.86 -31.8 68.86 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.907 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -60.92 -45.11 95.98 Favored 'General case' 0 N--CA 1.447 -0.601 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 177.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.443 ' HB3' ' HG2' ' A' ' 24' ' ' GLU . 80.4 m-20 -73.27 -33.7 65.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.845 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.562 ' HG2' ' O ' ' A' ' 14' ' ' ARG . 11.2 mm-40 -61.71 -37.44 84.19 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 121.407 0.623 . . . . 0.0 110.473 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.6 ttp180 -89.3 -2.28 58.39 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.086 -177.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 56.9 m170 -102.9 -47.57 4.34 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.892 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 65.91 -60.71 0.29 Allowed 'General case' 0 N--CA 1.495 1.796 0 C-N-CA 123.831 0.852 . . . . 0.0 112.892 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -69.63 -27.97 65.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.911 0.386 . . . . 0.0 110.593 -179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.632 ' O ' ' HG3' ' A' ' 27' ' ' ARG . . . -68.5 -25.16 64.82 Favored 'General case' 0 C--O 1.215 -0.73 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.888 -179.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.443 ' HG2' ' HB3' ' A' ' 17' ' ' ASN . 40.2 mt-10 -66.66 -39.39 88.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.209 0.528 . . . . 0.0 110.096 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.401 ' O ' ' HE3' ' A' ' 29' ' ' LYS . 43.7 mt -72.33 -20.6 61.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.598 178.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -86.44 -41.93 14.02 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.813 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.632 ' HG3' ' O ' ' A' ' 23' ' ' ALA . 22.9 mtp180 -59.12 -34.12 71.66 Favored 'General case' 0 C--O 1.219 -0.538 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.25 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 54.7 tp -65.5 -26.39 67.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.975 0.416 . . . . 0.0 110.705 179.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 32' ' ' ARG . 78.9 mttt -87.32 -29.94 21.21 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.018 0.437 . . . . 0.0 110.182 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 35.2 t -90.39 -32.25 16.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.18 -176.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -94.07 18.0 11.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.156 0.503 . . . . 0.0 111.02 -176.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.456 ' HG2' ' O ' ' A' ' 29' ' ' LYS . 2.9 ptp180 -77.65 -8.15 57.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.666 178.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -114.71 170.83 8.03 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -171.41 -33.06 0.02 OUTLIER 'General case' 0 C--N 1.343 0.304 0 CA-C-O 120.755 0.312 . . . . 0.0 111.409 -178.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.523 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 72.4 m80 -66.32 -49.71 66.07 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.561 -177.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -57.04 -37.02 71.18 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.63 179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -64.92 -51.69 60.53 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.448 179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -61.93 -36.56 81.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.406 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' A' ' 35' ' ' HIS . 49.9 mt-10 -61.73 -32.31 72.53 Favored 'General case' 0 C--O 1.227 -0.112 0 CA-C-O 120.681 0.276 . . . . 0.0 110.593 178.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.72 -34.97 27.08 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.833 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -67.71 -41.85 82.89 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.964 0.412 . . . . 0.0 110.556 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -64.78 -50.93 64.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.616 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -65.33 -31.81 73.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.473 -0.331 . . . . 0.0 111.686 -178.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -72.73 -20.68 61.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 0.0 110.963 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.6 tp -89.65 -35.56 15.75 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.809 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.1 mm-40 -70.91 -28.89 64.86 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-O 120.722 0.296 . . . . 0.0 110.524 179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -66.87 -34.88 78.77 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 62.7 mttp -74.21 -31.95 62.82 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.942 0.401 . . . . 0.0 110.658 -179.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.46 HD11 HE21 ' A' ' 53' ' ' GLN . 31.3 tp -75.35 -23.5 57.22 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.933 179.239 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.82 -16.17 57.45 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.961 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -86.51 -45.69 10.87 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.777 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -77.81 -6.17 53.25 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.811 -0.631 . . . . 0.0 112.696 -175.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.46 HE21 HD11 ' A' ' 49' ' ' LEU . 20.8 pt20 -170.72 -171.72 1.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 177.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -90.71 112.96 24.93 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -179.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -138.16 19.56 2.79 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.539 -177.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 99.4 mt -104.58 -40.08 6.15 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.063 0.459 . . . . 0.0 110.333 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -99.97 -51.82 3.59 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.527 -0.546 . . . . 0.0 109.527 177.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 125.11 15.85 3.03 Favored Glycine 0 N--CA 1.447 -0.603 0 CA-C-N 115.799 -0.637 . . . . 0.0 112.071 179.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 55.3 26.26 8.38 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 121.189 0.519 . . . . 0.0 111.245 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 55.5 tp -107.19 129.56 54.84 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.011 -0.54 . . . . 0.0 109.965 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -76.22 -177.1 3.85 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.627 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -116.97 -15.75 10.58 Favored 'General case' 0 N--CA 1.45 -0.455 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.457 -177.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 9.6 tt -73.28 85.88 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 CA-C-O 121.57 0.7 . . . . 0.0 109.62 175.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -78.57 -15.52 58.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.743 -177.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -79.68 156.62 27.49 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.199 0.523 . . . . 0.0 111.676 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 66' ' ' LYS . 36.5 ttmt -96.57 -0.02 49.37 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.471 -0.786 . . . . 0.0 109.499 178.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 65.06 37.26 6.85 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.784 -0.644 . . . . 0.0 109.565 -177.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.455 ' O ' ' HG2' ' A' ' 72' ' ' GLU . . . -53.86 -35.12 61.18 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -176.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -73.19 -25.67 60.87 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-O 121.176 0.512 . . . . 0.0 110.476 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -78.75 -23.35 45.43 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.797 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp -89.33 -3.68 58.39 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.759 -179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 68' ' ' ALA . 47.3 mm-40 -99.37 157.12 16.63 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.96 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -61.09 -19.95 62.03 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-N 118.22 0.463 . . . . 0.0 110.917 177.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -63.81 -6.75 6.27 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.965 178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.67 -19.92 44.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.731 0.3 . . . . 0.0 111.249 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -133.3 -36.55 0.99 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.422 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.521 -177.941 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.074 0 N-CA-C 111.659 -0.576 . . . . 0.0 111.659 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.1 m -72.1 -48.52 43.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.216 0.531 . . . . 0.0 109.627 178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 84.3 t -82.98 -45.96 18.92 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.779 178.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -87.45 88.25 7.63 Favored 'General case' 0 CA--C 1.551 1.018 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.356 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 44.5 pttt -122.07 15.62 10.74 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.927 -0.483 . . . . 0.0 110.836 177.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 22.3 tp 55.99 29.32 14.15 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.39 -0.823 . . . . 0.0 112.166 175.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.2 m 63.44 20.02 12.02 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-O 121.261 0.553 . . . . 0.0 111.139 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.11 5.17 10.64 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.149 0.499 . . . . 0.0 110.966 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -69.42 -29.52 67.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.207 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.23 -22.63 63.84 Favored 'General case' 0 CA--C 1.518 -0.263 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.48 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -78.41 -47.23 18.0 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.611 178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 60.9 tp -58.96 -42.46 89.94 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.765 178.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -66.4 -38.34 87.27 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.846 178.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.0 tpt180 -63.68 -52.55 60.16 Favored 'General case' 0 C--O 1.22 -0.469 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.166 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.8 mp -65.03 -26.93 68.47 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -178.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -80.51 -33.35 36.49 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.804 0.335 . . . . 0.0 110.571 179.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -85.04 -34.54 22.27 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.574 -179.669 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -76.9 -67.52 0.7 Allowed 'General case' 0 C--O 1.238 0.481 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 178.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 23.8 ttm180 65.4 -69.27 0.1 Allowed 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 172.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 50.1 p-80 -138.28 3.64 2.38 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.567 0.222 . . . . 0.0 111.535 -175.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -66.08 -48.27 71.54 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -176.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -71.57 -32.92 68.62 Favored 'General case' 0 C--N 1.311 -1.099 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.371 -177.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.97 -25.92 56.29 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 120.906 -0.317 . . . . 0.0 110.606 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -72.0 -52.0 19.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.002 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.9 tp -65.09 -30.77 71.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.562 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -72.46 -29.0 63.28 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.125 0.488 . . . . 0.0 109.759 178.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -69.96 -42.43 73.21 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 178.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 68.2 mt -66.55 -22.48 66.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.175 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -85.07 -31.96 23.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.08 178.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 30.3 m -77.52 -36.82 52.12 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.252 -178.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -143.06 145.58 33.02 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 178.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -166.9 -33.8 0.02 OUTLIER 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 118.233 0.47 . . . . 0.0 110.452 -175.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 50.1 m80 -123.41 -172.67 2.56 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.355 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -64.1 -27.06 68.84 Favored 'General case' 0 C--O 1.221 -0.402 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.823 -177.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -49.73 -36.69 26.47 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 112.674 0.62 . . . . 0.0 112.674 -177.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -67.04 -56.61 9.34 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.077 0.465 . . . . 0.0 112.118 -178.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -86.21 -18.23 32.71 Favored 'General case' 0 C--N 1.31 -1.118 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -173.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -63.27 -38.49 91.36 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.194 0.521 . . . . 0.0 109.671 176.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -75.27 -29.95 60.29 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.671 179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.34 -27.43 59.2 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-O 121.077 0.465 . . . . 0.0 109.824 178.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -69.9 -42.85 72.83 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 176.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -62.82 -43.78 97.9 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.045 176.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -58.14 -36.53 73.1 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.009 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.17 -19.28 63.99 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.025 0.44 . . . . 0.0 110.701 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 52.1 tp -90.3 -36.69 14.54 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.777 178.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -81.93 -34.56 29.8 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -177.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.07 -32.13 68.73 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 120.205 -0.598 . . . . 0.0 110.223 177.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -75.17 -27.95 59.89 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 177.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.7 tp -68.81 -34.75 76.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.34 -0.846 . . . . 0.0 109.474 177.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -72.74 -26.0 61.41 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.788 177.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -67.62 -48.08 67.79 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.28 176.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.5 tttm 63.76 9.04 4.12 Favored 'General case' 0 N--CA 1.484 1.257 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.066 175.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 50.38 79.29 0.09 Allowed 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 123.318 0.647 . . . . 0.0 111.33 -179.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -61.39 99.11 0.1 Allowed 'General case' 0 C--N 1.344 0.357 0 CA-C-O 121.136 0.493 . . . . 0.0 110.191 178.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -101.14 -5.96 24.95 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.293 -177.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 56' ' ' LEU . 31.4 tp -97.45 17.96 16.39 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.136 0.493 . . . . 0.0 110.97 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 24.5 p-10 -65.73 124.95 23.8 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.03 0.443 . . . . 0.0 109.871 178.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -129.0 -37.14 0.4 Allowed Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.028 -1.082 . . . . 0.0 112.8 -178.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -80.18 -178.4 6.55 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.98 0.39 . . . . 0.0 110.298 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.0 mp -80.88 -59.6 2.61 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.509 ' HA ' ' O ' ' A' ' 65' ' ' GLU . 53.9 ttp180 48.14 70.47 0.44 Allowed 'General case' 0 CA--C 1.551 0.989 0 O-C-N 123.826 0.704 . . . . 0.0 111.295 176.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.42 ' HB2' ' HG3' ' A' ' 67' ' ' GLU . 92.1 m-85 -63.28 -36.04 82.35 Favored 'General case' 0 C--N 1.344 0.358 0 O-C-N 122.021 -0.424 . . . . 0.0 111.694 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 14.0 tt -141.44 -37.93 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.571 -0.452 . . . . 0.0 112.114 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -149.89 -61.02 0.21 Allowed 'General case' 0 C--O 1.235 0.327 0 C-N-CA 120.395 -0.522 . . . . 0.0 112.261 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.509 ' O ' ' HA ' ' A' ' 61' ' ' ARG . 38.0 mt-10 -106.9 -152.5 0.48 Allowed 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.101 -175.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.421 ' HG3' ' H ' ' A' ' 68' ' ' ALA . 25.9 pttm -70.94 -27.6 63.87 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.091 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.42 ' HG3' ' HB2' ' A' ' 62' ' ' TYR . 58.2 mm-40 59.6 19.18 7.75 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.601 0.761 . . . . 0.0 112.469 176.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.421 ' H ' ' HG3' ' A' ' 66' ' ' LYS . . . -71.87 -23.73 61.56 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.933 0.397 . . . . 0.0 111.395 -177.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.25 0.94 35.21 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.505 -179.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 24.4 mtm180 -123.36 15.58 9.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.619 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -116.04 -5.46 11.95 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.526 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.497 ' HG3' ' H ' ' A' ' 73' ' ' LYS . 10.8 tp10 66.4 -176.93 0.19 Allowed 'General case' 0 CA--C 1.554 1.115 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 -176.297 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.497 ' H ' ' HG3' ' A' ' 72' ' ' GLU . 16.9 mttp -87.62 178.63 6.71 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 178.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -108.57 168.19 9.51 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 176.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 63.6 27.54 14.94 Favored 'General case' 0 C--N 1.358 0.975 0 CA-C-O 121.097 0.475 . . . . 0.0 110.441 -177.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -88.14 13.72 10.72 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.056 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.216 -178.911 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 1.318 0 N-CA-C 112.053 -0.419 . . . . 0.0 112.053 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.9 p -97.38 179.35 4.91 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.969 -0.382 . . . . 0.0 109.969 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.5 p -82.89 146.44 7.05 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.044 0 N-CA-C 108.296 -1.002 . . . . 0.0 108.296 176.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -88.74 176.96 6.86 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 119.079 0.854 . . . . 0.0 110.683 -177.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -83.95 -39.13 20.14 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 -178.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 pp -68.19 -16.72 64.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.028 178.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.7 m -70.64 -38.28 73.84 Favored 'General case' 0 N--CA 1.448 -0.535 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.04 178.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.418 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -79.13 -29.15 42.99 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.051 178.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -68.71 -25.01 64.55 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.022 178.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.87 -33.43 75.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.639 178.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -82.48 -35.61 27.28 Favored 'General case' 0 CA--C 1.518 -0.284 0 N-CA-C 109.487 -0.56 . . . . 0.0 109.487 178.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 8' ' ' ALA . 93.2 mt -60.99 -45.41 94.92 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.833 177.289 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -66.72 -38.94 87.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.785 177.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -57.28 -46.04 83.49 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.544 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 78.6 mt -74.3 -30.51 62.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -73.23 -37.21 66.46 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 121.046 0.451 . . . . 0.0 110.257 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -75.8 -16.91 60.03 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.046 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -87.04 -44.23 11.73 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.521 179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 66.57 105.53 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.844 0.858 . . . . 0.0 111.487 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 70.5 m80 -67.31 -29.05 68.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.92 -179.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.44 ' HG2' HD13 ' A' ' 25' ' ' LEU . 16.7 tt0 -61.68 -44.72 96.41 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.171 0.51 . . . . 0.0 110.074 178.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -65.75 -27.37 68.25 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.691 -177.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.81 -27.37 61.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.333 178.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -79.98 -49.21 12.16 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.946 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.44 HD13 ' HG2' ' A' ' 21' ' ' GLU . 9.8 mp -62.53 -34.84 77.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.619 178.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -66.07 -46.12 78.9 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -58.01 -48.1 81.04 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.814 -1.084 . . . . 0.0 110.971 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 46.8 tp -74.05 -30.03 62.2 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.979 -177.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -80.79 -29.45 36.1 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.274 -176.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.468 ' O ' ' HB2' ' A' ' 31' ' ' GLU . 77.3 p -89.4 -8.08 53.84 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.748 -178.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.468 ' HB2' ' O ' ' A' ' 30' ' ' SER . 4.2 mm-40 71.56 30.21 2.49 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-O 121.283 0.564 . . . . 0.0 110.214 -176.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 25.0 tpp180 -73.63 81.15 1.52 Allowed 'General case' 0 CA--C 1.549 0.929 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.818 178.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -79.29 -179.31 6.68 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 121.706 -0.621 . . . . 0.0 110.389 179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.651 ' O ' ' HG2' ' A' ' 38' ' ' LYS . 4.0 p-10 -69.72 -32.84 71.64 Favored 'General case' 0 CA--C 1.518 -0.259 0 C-N-CA 121.005 -0.278 . . . . 0.0 111.084 -176.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -55.55 -37.91 68.6 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -66.7 -40.05 88.33 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.858 0.361 . . . . 0.0 110.656 179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 54.0 tptt -70.14 -36.49 74.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.265 179.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.651 ' HG2' ' O ' ' A' ' 34' ' ' ASP . 33.4 mmtp -63.81 -46.36 85.5 Favored 'General case' 0 C--O 1.233 0.217 0 N-CA-C 109.466 -0.568 . . . . 0.0 109.466 177.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -65.0 -31.93 73.41 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.503 178.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.06 -26.73 68.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.056 0.455 . . . . 0.0 110.353 179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' O ' ' HG ' ' A' ' 45' ' ' LEU . 40.0 tt0 -88.34 -50.65 6.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.338 178.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.0 mtm180 -63.17 -31.86 73.11 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.026 -178.045 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -68.14 -33.73 75.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.006 0.431 . . . . 0.0 109.946 177.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.85 -25.58 56.35 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.092 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 41' ' ' GLU . 88.5 mt -70.3 -28.44 65.18 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.313 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -82.54 -36.32 26.44 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.01 178.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -69.66 -30.86 68.64 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 121.205 0.526 . . . . 0.0 109.634 179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -62.5 -36.68 83.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.462 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 45' ' ' LEU . 4.3 mm? -88.39 -35.78 16.93 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.211 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.48 -37.16 79.87 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.656 0.265 . . . . 0.0 111.524 -179.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -90.35 -15.92 30.18 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.061 0.458 . . . . 0.0 110.005 178.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 60.9 mttp 60.6 34.12 20.25 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.457 -176.088 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -75.98 19.45 0.22 Allowed 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.993 -178.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -79.89 63.48 4.44 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.245 -179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -76.31 -8.66 57.57 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.218 0.532 . . . . 0.0 110.812 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.648 HD23 ' H ' ' A' ' 56' ' ' LEU . 2.6 pt? -82.21 13.43 3.49 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.586 177.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -72.09 -9.39 58.35 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.487 179.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -138.18 -174.13 13.27 Favored Glycine 0 CA--C 1.533 1.191 0 N-CA-C 110.446 -1.062 . . . . 0.0 110.446 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 74.82 -36.14 0.31 Allowed 'General case' 0 N--CA 1.494 1.742 0 CA-C-N 118.395 1.098 . . . . 0.0 112.176 178.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.4 mt -74.65 -49.59 20.89 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 61' ' ' ARG . 37.4 ttp-105 62.75 19.18 11.24 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.239 176.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 86.2 m-85 58.14 45.87 16.9 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.488 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.4 HD11 ' HG2' ' A' ' 66' ' ' LYS . 20.5 pt -82.03 -3.12 6.7 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 CA-C-O 120.664 0.269 . . . . 0.0 111.275 178.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 76.73 -41.46 0.4 Allowed 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 113.796 1.036 . . . . 0.0 113.796 173.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -69.57 -49.75 51.21 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 112.645 0.609 . . . . 0.0 112.645 -175.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.4 ' HG2' HD11 ' A' ' 63' ' ' ILE . 70.2 mmtt -74.99 -25.42 58.82 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -174.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -84.21 -8.82 58.94 Favored 'General case' 0 C--N 1.315 -0.912 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 62.47 25.45 15.16 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 121.401 0.619 . . . . 0.0 110.184 -178.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -82.0 9.89 7.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.453 -177.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.44 ' HG3' ' H ' ' A' ' 72' ' ' GLU . 27.7 ptt180 -68.83 -41.14 78.94 Favored 'General case' 0 C--N 1.321 -0.671 0 C-N-CA 120.28 -0.568 . . . . 0.0 109.586 177.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp 54.04 38.23 28.52 Favored 'General case' 0 C--N 1.352 0.686 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.541 178.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.44 ' H ' ' HG3' ' A' ' 70' ' ' ARG . 24.3 tt0 -79.81 -72.77 0.38 Allowed 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -176.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -160.89 38.81 0.15 Allowed 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 -177.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -47.48 -58.67 3.93 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 123.347 0.404 . . . . 0.0 111.645 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 47.11 29.43 1.12 Allowed 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 176.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -76.96 -26.64 54.22 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.897 -178.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 . . . . . 0 C--O 1.244 0.787 0 CA-C-O 118.402 -0.809 . . . . 0.0 110.579 178.527 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.189 0 N-CA-C 112.112 -0.395 . . . . 0.0 112.112 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 p -92.06 95.89 10.03 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 120.909 0.385 . . . . 0.0 110.501 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.447 HG22 ' H ' ' A' ' 4' ' ' GLU . 9.3 p -107.13 171.51 2.11 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.955 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 -179.239 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.447 ' H ' HG22 ' A' ' 3' ' ' VAL . 5.9 mp0 -94.81 178.55 5.54 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 118.364 0.529 . . . . 0.0 110.314 -178.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 54.5 pttt -161.22 -162.35 0.9 Allowed 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -177.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 21.4 tp 66.18 16.82 10.58 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.48 0.657 . . . . 0.0 111.054 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.3 t -105.01 -171.64 1.95 Allowed 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 61.53 12.9 4.74 Favored 'General case' 0 N--CA 1.485 1.295 0 CA-C-O 120.947 0.403 . . . . 0.0 111.83 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -64.14 -36.3 83.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.504 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.6 -25.81 64.14 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -79.02 -46.85 17.33 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 179.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 66.2 tp -60.77 -44.05 97.27 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.713 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -68.91 -33.71 74.21 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.226 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 14' ' ' ARG . 44.8 ttp180 -68.15 -52.42 34.85 Favored 'General case' 0 C--N 1.322 -0.587 0 C-N-CA 120.955 -0.298 . . . . 0.0 110.246 179.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.04 -29.89 71.17 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.804 -178.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.7 tptt -78.11 -33.82 50.38 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 -178.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -89.47 -29.92 18.66 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.629 -0.429 . . . . 0.0 111.105 -179.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -68.65 -47.89 65.39 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 62.6 mtt180 60.34 -164.09 0.23 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.779 177.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 59.7 m-70 -112.78 -174.9 2.55 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.48 ' CD ' ' H ' ' A' ' 21' ' ' GLU . 1.1 mp0 -69.18 -25.7 64.47 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 121.145 0.498 . . . . 0.0 110.566 -178.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -62.02 -30.02 70.67 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.82 -176.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.72 -25.93 62.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.912 0.387 . . . . 0.0 110.834 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -88.38 -52.42 5.21 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.99 0.424 . . . . 0.0 110.747 178.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 83.6 mt -61.96 -33.72 74.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.638 -0.71 . . . . 0.0 112.655 -175.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -71.67 -37.19 70.81 Favored 'General case' 0 C--O 1.235 0.319 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.962 -178.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 27' ' ' ARG . 50.9 mtm180 -67.68 -43.31 80.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.83 0.348 . . . . 0.0 110.333 178.491 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 73.7 mt -68.59 -26.43 65.38 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -73.93 -19.88 60.55 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.349 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.3 p -78.06 -9.85 59.34 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.158 -179.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 61.18 56.74 2.64 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.549 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 32.9 tpt180 -60.11 -22.61 63.01 Favored 'General case' 0 C--N 1.346 0.438 0 CA-C-O 120.725 0.298 . . . . 0.0 111.003 178.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.0 t-80 -60.1 -20.81 60.04 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.836 178.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -59.73 -30.64 68.96 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.679 177.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -68.87 -31.47 70.43 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.1 0.476 . . . . 0.0 109.937 179.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -77.45 -44.81 27.73 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.708 177.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 52.2 tttp -57.54 -47.5 81.85 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.13 177.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -63.75 -30.81 71.87 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.79 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -63.12 -38.93 93.14 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.041 -178.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -88.69 -30.81 18.84 Favored 'General case' 0 C--O 1.233 0.189 0 C-N-CA 120.985 -0.286 . . . . 0.0 111.588 -178.264 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -75.93 -39.0 57.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.622 -177.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 30.6 ttp-105 -58.8 -41.77 87.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.103 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -65.57 -30.35 71.08 Favored 'General case' 0 C--O 1.222 -0.363 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.566 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 48' ' ' LYS . . . -67.97 -31.86 71.88 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.737 -179.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 63.8 tp -89.92 -31.59 17.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.629 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -74.21 -34.6 63.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.269 -0.423 . . . . 0.0 109.997 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -67.97 -27.79 66.89 Favored 'General case' 0 CA--C 1.512 -0.513 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.622 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.425 ' O ' ' HA ' ' A' ' 52' ' ' LYS . 99.4 mttt -71.4 -18.99 62.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.051 0.453 . . . . 0.0 109.997 177.617 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.3 mt -89.32 -46.16 8.96 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.904 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -80.72 -41.52 23.45 Favored 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -90.01 -15.85 31.02 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.159 0.504 . . . . 0.0 110.142 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 48' ' ' LYS . 61.7 mttp 67.38 -170.22 0.19 Allowed 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.608 -178.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.4 mm-40 -126.98 38.89 4.02 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 122.256 -0.278 . . . . 0.0 111.604 -176.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.453 ' OE2' ' HD2' ' A' ' 61' ' ' ARG . 40.5 mt-10 74.66 142.67 0.07 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.363 0.665 . . . . 0.0 111.719 177.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -142.23 -39.43 0.36 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.744 -179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.9 mt -64.95 -59.07 4.57 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.905 0.383 . . . . 0.0 110.678 179.431 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -81.8 149.02 28.58 Favored 'General case' 0 C--N 1.316 -0.876 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.35 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -89.24 -29.53 16.93 Favored Glycine 0 C--N 1.315 -0.637 0 N-CA-C 110.521 -1.031 . . . . 0.0 110.521 176.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 55.76 -164.69 0.13 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.011 0.525 . . . . 0.0 111.604 178.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -121.22 33.87 5.4 Favored 'General case' 0 N--CA 1.449 -0.517 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.453 ' HD2' ' OE2' ' A' ' 54' ' ' GLU . 25.8 mtp180 -62.13 -54.06 46.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.345 -177.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 69.7 m-85 -69.03 -26.9 65.21 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.95 0.405 . . . . 0.0 110.736 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.7 mm -75.58 -30.9 22.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.59 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.8 t30 74.05 -47.16 0.64 Allowed 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.257 1.023 . . . . 0.0 111.892 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -111.6 110.18 20.46 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 120.992 0.425 . . . . 0.0 111.367 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 39.9 ttpt -79.08 -15.89 57.53 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.821 178.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -72.08 -25.06 61.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.196 -178.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 60.89 21.52 11.71 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -67.76 -41.25 83.63 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-O 121.26 0.552 . . . . 0.0 109.863 178.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.589 ' O ' ' HG2' ' A' ' 73' ' ' LYS . 77.2 mtp180 -73.73 -24.82 59.95 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.074 178.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 59.1 tttm 62.26 12.27 5.05 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.859 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 62.24 19.19 10.79 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.062 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 70' ' ' ARG . 25.8 pttm -91.81 172.46 8.46 Favored 'General case' 0 CA--C 1.546 0.813 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.228 -176.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 25.8 tp10 -127.17 -37.59 2.05 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 177.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -95.78 -157.34 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.943 -1.026 . . . . 0.0 108.694 174.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -90.28 -29.42 18.15 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.806 -0.357 . . . . 0.0 111.567 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 90.6 mt-30 . . . . . 0 C--O 1.247 0.955 0 C-N-CA 123.135 0.574 . . . . 0.0 111.829 -179.527 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.466 0 N-CA-C 112.27 -0.332 . . . . 0.0 112.27 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 p -101.75 26.33 7.55 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -176.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.1 m -79.75 -5.19 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 CA-C-O 120.977 0.418 . . . . 0.0 110.919 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -168.43 174.72 6.73 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 178.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -87.43 -16.24 35.42 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.987 0.423 . . . . 0.0 111.144 -178.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 pp -156.31 174.12 15.87 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.134 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 27.4 p -104.48 -22.22 13.33 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 120.834 0.349 . . . . 0.0 110.266 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 68.5 4.63 4.38 Favored 'General case' 0 N--CA 1.483 1.185 0 CA-C-N 115.364 -0.834 . . . . 0.0 110.785 -178.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -109.94 -22.6 11.77 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.6 -178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.88 -28.3 69.94 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.373 -178.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -78.77 -23.64 45.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.226 0.536 . . . . 0.0 110.146 178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.8 mt -85.51 -19.47 31.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.37 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -55.23 -28.81 55.83 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 115.595 -0.73 . . . . 0.0 112.026 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -61.42 -41.31 96.97 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.064 0.459 . . . . 0.0 110.47 179.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.488 HD12 ' HB3' ' A' ' 20' ' ' HIS . 24.2 tp -66.84 -27.65 67.71 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.081 -179.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -83.35 -50.99 7.8 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.317 -178.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -59.9 -36.23 76.55 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.943 -177.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -86.25 -7.54 58.44 Favored 'General case' 0 CA--C 1.516 -0.347 0 C-N-CA 120.386 -0.526 . . . . 0.0 110.933 179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 55.84 31.06 16.96 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.931 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.488 ' HB3' HD12 ' A' ' 15' ' ' LEU . 53.7 t-80 -60.23 -38.82 84.6 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.648 -178.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -65.31 -40.94 94.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.896 0.379 . . . . 0.0 110.26 178.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.96 -36.01 82.16 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.175 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.29 -23.83 61.25 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-O 121.02 0.438 . . . . 0.0 110.584 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -77.53 -56.92 4.13 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.872 179.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.455 ' O ' ' HG3' ' A' ' 29' ' ' LYS . 9.8 mp -66.66 -31.62 72.41 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 115.733 -0.667 . . . . 0.0 112.522 -177.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -61.11 -45.43 94.71 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.017 0.437 . . . . 0.0 110.915 -179.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.586 ' O ' ' HG2' ' A' ' 31' ' ' GLU . 62.4 mtt180 -70.23 -19.94 63.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.902 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 91.3 mt -82.71 -23.59 34.01 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 121.098 0.475 . . . . 0.0 109.778 176.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 98.4 mttt -85.54 -27.11 25.78 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.795 179.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 52.1 p -71.12 -42.87 68.66 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-O 121.068 0.461 . . . . 0.0 110.176 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.586 ' HG2' ' O ' ' A' ' 27' ' ' ARG . 6.6 mm-40 -73.95 -8.54 56.48 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.271 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 65.8 ttt180 -77.0 -6.11 51.37 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.034 179.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 38.0 m-70 -88.2 22.8 2.32 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.895 178.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -72.44 171.51 12.16 Favored 'General case' 0 C--O 1.24 0.568 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.391 -178.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 -62.84 -20.5 65.14 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 -177.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -53.45 -46.12 69.77 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.353 178.588 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.45 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 87.4 tttt -72.35 -43.53 63.93 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.52 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -58.27 -41.88 85.27 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.645 -178.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -62.75 -34.5 77.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.053 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.96 -29.76 58.41 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.845 -179.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 45.8 mt-10 -71.58 -46.49 59.16 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.073 0.463 . . . . 0.0 109.77 178.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 45.2 ttt-85 -64.97 -39.06 92.91 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.094 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -70.87 -28.71 64.77 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.656 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.8 -27.2 64.69 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.885 0.374 . . . . 0.0 110.641 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.8 mt -82.81 -27.78 30.68 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.128 0.49 . . . . 0.0 109.789 178.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -85.44 -23.31 27.91 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.852 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -60.5 -32.07 71.09 Favored 'General case' 0 C--O 1.219 -0.517 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.313 179.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -71.76 -32.93 68.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.132 0.491 . . . . 0.0 110.302 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 57.2 tp -75.56 -44.07 45.21 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.293 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.49 -23.19 62.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.759 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -81.31 -19.66 42.41 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.209 179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp 64.18 27.95 14.02 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.873 -179.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -79.91 -157.34 0.14 Allowed 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.346 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.416 ' HG2' ' H ' ' A' ' 54' ' ' GLU . 7.2 pt-20 -69.98 78.98 0.48 Allowed 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.554 0.693 . . . . 0.0 111.699 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -79.41 -15.12 58.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.228 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.425 ' H ' HD22 ' A' ' 56' ' ' LEU . 3.1 mm? -60.05 -25.31 65.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.476 -179.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 76.5 m-20 -62.9 -32.54 73.84 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.921 0.391 . . . . 0.0 110.927 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -87.79 6.45 83.43 Favored Glycine 0 C--O 1.229 -0.173 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.246 -178.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -123.3 -74.5 0.61 Allowed 'General case' 0 N--CA 1.447 -0.586 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 179.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 90.5 mt 51.04 -141.96 0.74 Allowed 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.287 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -98.28 10.44 40.67 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 177.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -85.81 17.26 3.5 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.094 -176.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 32.1 pt -89.9 18.64 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.454 179.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -76.15 -164.39 0.38 Allowed 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.682 -0.69 . . . . 0.0 111.172 -178.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 59.13 36.97 24.23 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-O 121.324 0.583 . . . . 0.0 109.718 -177.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 71.2 tttt -85.82 -0.93 56.61 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.483 -178.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.491 ' HB3' ' HG2' ' A' ' 70' ' ' ARG . 41.7 mt-10 64.64 24.95 13.05 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-N 115.154 -0.93 . . . . 0.0 113.146 173.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . 56.08 29.23 14.18 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 112.248 0.462 . . . . 0.0 112.248 177.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 65.08 27.61 12.46 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 178.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.491 ' HG2' ' HB3' ' A' ' 67' ' ' GLU . 6.6 ptp180 -59.56 -35.47 74.32 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-O 121.285 0.564 . . . . 0.0 109.515 176.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 70' ' ' ARG . 48.7 tttm -65.13 -37.32 87.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.055 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -61.63 -31.67 71.77 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.021 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -95.94 -35.9 11.27 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.876 0.369 . . . . 0.0 111.135 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -72.69 -38.39 67.56 Favored 'General case' 0 C--N 1.315 -0.899 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.118 -178.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -94.31 18.32 11.27 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.086 0.47 . . . . 0.0 110.653 179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -63.03 -24.64 68.01 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.886 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 . . . . . 0 C--O 1.244 0.785 0 CA-C-O 118.926 -0.559 . . . . 0.0 110.707 179.11 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.515 0 N-CA-C 112.161 -0.376 . . . . 0.0 112.161 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.6 p -62.92 -74.55 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.936 0.398 . . . . 0.0 110.939 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.7 p -88.74 -32.13 5.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.246 0.546 . . . . 0.0 110.251 178.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -81.33 71.07 8.31 Favored 'General case' 0 CA--C 1.549 0.915 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.409 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.8 mttm -96.01 -33.82 11.99 Favored 'General case' 0 N--CA 1.451 -0.375 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 176.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 73.6 mt -138.47 -47.75 0.52 Allowed 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.066 179.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.9 m 58.68 -87.43 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.095 -0.957 . . . . 0.0 112.487 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -158.01 20.35 0.25 Allowed 'General case' 0 C--O 1.239 0.513 0 CA-C-O 120.797 0.332 . . . . 0.0 110.875 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -69.39 -29.11 66.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.33 -178.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.92 -27.08 61.65 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.31 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -72.43 -48.99 36.84 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.81 179.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.4 tp -61.51 -38.03 85.85 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.407 179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 60.5 tt0 -58.81 -45.55 89.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.554 179.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -65.42 -43.95 88.93 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.927 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.444 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 87.3 mt -63.7 -34.53 78.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.206 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -75.78 -21.83 57.0 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 120.672 0.272 . . . . 0.0 111.385 -177.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -64.46 -24.67 67.7 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 120.896 0.379 . . . . 0.0 111.08 179.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -101.84 -1.05 33.07 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.244 0.545 . . . . 0.0 110.352 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.444 ' HG3' ' O ' ' A' ' 15' ' ' LEU . 96.9 mtt180 -114.08 90.39 3.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.147 -179.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 39.2 p-80 -95.38 29.62 2.48 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.441 -177.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -59.62 -44.45 93.45 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.482 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -71.09 -24.94 62.4 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.342 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -78.16 -29.83 48.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.853 0.359 . . . . 0.0 110.532 178.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -77.35 -44.71 28.45 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-O 120.99 0.424 . . . . 0.0 109.888 178.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.2 tp -62.66 -27.61 69.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.13 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -74.84 -36.48 62.37 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 62.1 ttp85 -68.35 -47.69 66.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.842 -0.617 . . . . 0.0 109.871 179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.7 mt -66.96 -23.84 66.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.621 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.2 tttm -68.95 -34.96 76.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.553 179.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.3 t -90.73 -33.78 15.63 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.274 177.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -95.19 65.8 2.86 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.672 -177.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.457 ' O ' ' HB2' ' A' ' 33' ' ' HIS . 1.5 tmt_? -69.71 -24.53 63.58 Favored 'General case' 0 C--N 1.343 0.312 0 N-CA-C 110.025 -0.361 . . . . 0.0 110.025 177.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.457 ' HB2' ' O ' ' A' ' 32' ' ' ARG . 54.0 m80 82.95 173.64 0.09 Allowed 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.577 1.151 . . . . 0.0 111.911 179.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -178.37 159.23 1.19 Allowed 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.541 ' O ' ' HG2' ' A' ' 39' ' ' GLU . 56.5 t-80 71.78 -58.2 0.59 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.013 0.525 . . . . 0.0 111.576 -178.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.416 ' OD2' ' HB3' ' A' ' 33' ' ' HIS . 6.6 p-10 -55.79 -40.38 72.6 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 120.998 0.427 . . . . 0.0 110.81 -179.265 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 53.9 tttp -73.99 -45.94 46.88 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.681 178.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -61.82 -51.94 66.2 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 112.894 0.701 . . . . 0.0 112.894 -176.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 35' ' ' HIS . 22.7 mm-40 -62.15 -33.67 74.94 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 120.631 0.253 . . . . 0.0 111.529 -176.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.44 -28.07 23.75 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.799 0.333 . . . . 0.0 111.323 -178.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -75.82 -32.53 59.87 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 108.982 -0.747 . . . . 0.0 108.982 179.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 42' ' ' ARG . 38.7 ttm180 -63.94 -33.32 75.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.274 -0.875 . . . . 0.0 109.394 177.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -69.12 -37.64 78.45 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.705 178.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.85 -28.84 67.9 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 120.896 0.379 . . . . 0.0 110.704 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 82.2 mt -80.78 -18.81 46.4 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.022 -0.536 . . . . 0.0 109.728 178.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -85.74 -32.07 22.08 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.842 -178.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -66.02 -26.29 67.45 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.056 0.455 . . . . 0.0 110.248 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -66.46 -32.3 73.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.815 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 58.0 tp -69.42 -40.6 77.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.083 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.87 -26.39 63.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.851 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -74.69 -47.41 31.73 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.191 178.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -68.44 -20.88 64.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.951 179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -63.06 -42.96 99.82 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.534 176.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -70.68 -43.11 69.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.521 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 55.4 t-80 71.43 -40.29 0.47 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.054 0.942 . . . . 0.0 113.08 177.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 29.5 tp -71.42 -10.37 59.65 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.674 0.273 . . . . 0.0 111.65 -177.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -65.12 122.36 16.89 Favored 'General case' 0 C--O 1.237 0.436 0 CA-C-O 121.024 0.44 . . . . 0.0 110.328 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.72 -11.76 56.34 Favored Glycine 0 C--N 1.313 -0.748 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.984 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -94.92 -21.62 18.52 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -177.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 85.9 mt -79.4 100.72 7.77 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.933 0.396 . . . . 0.0 110.846 -179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 88.2 mtm180 -100.92 -20.64 15.37 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.846 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 33.7 t80 61.59 25.07 15.06 Favored 'General case' 0 N--CA 1.485 1.313 0 CA-C-O 121.516 0.674 . . . . 0.0 110.718 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 12.7 tt -96.59 151.45 4.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.41 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -93.61 170.46 9.57 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 178.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -74.18 -32.28 63.01 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-N 118.556 0.616 . . . . 0.0 109.429 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.538 ' HG2' ' H ' ' A' ' 67' ' ' GLU . 44.8 tttp 65.1 178.05 0.19 Allowed 'General case' 0 CA--C 1.554 1.104 0 CA-C-N 115.106 -0.952 . . . . 0.0 111.073 177.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.538 ' H ' ' HG2' ' A' ' 66' ' ' LYS . 40.0 mt-10 55.68 37.47 28.91 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-O 120.922 0.391 . . . . 0.0 111.655 178.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -72.96 -18.1 61.41 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.507 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 61.16 25.68 15.66 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.916 178.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 26.2 ptt180 -75.5 -2.52 29.29 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.861 -178.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 46.8 pttt -69.79 -17.11 63.39 Favored 'General case' 0 CA--C 1.531 0.242 0 N-CA-C 111.577 0.214 . . . . 0.0 111.577 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -67.92 -10.75 55.81 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.842 0.353 . . . . 0.0 111.729 -178.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -78.29 -16.31 57.88 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 176.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 65.4 -66.78 0.14 Allowed 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.115 0.966 . . . . 0.0 112.101 -179.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.12 -46.41 1.66 Allowed 'General case' 0 C--N 1.318 -0.786 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -160.72 -28.9 0.06 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.364 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 C--N 1.319 -0.723 0 CA-C-O 118.774 -0.632 . . . . 0.0 109.951 -178.653 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.258 0 N-CA-C 111.694 -0.562 . . . . 0.0 111.694 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.0 m -120.99 -6.65 9.51 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-O 120.533 0.206 . . . . 0.0 111.061 179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.4 m -73.8 -23.01 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-O 120.954 0.407 . . . . 0.0 110.918 -179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -83.78 -8.96 59.12 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.184 0.516 . . . . 0.0 109.693 177.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -121.09 30.5 6.81 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.803 -178.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 79.2 mt -64.32 -17.04 63.29 Favored 'General case' 0 C--O 1.217 -0.616 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.305 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 17.0 m -71.85 -17.51 62.13 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.471 0.653 . . . . 0.0 109.849 176.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.435 ' HA ' ' OE1' ' A' ' 11' ' ' GLU . . . -108.9 24.64 12.82 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.69 178.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -55.8 -41.14 73.69 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.906 -177.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.95 -31.27 70.89 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.778 0.323 . . . . 0.0 110.785 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.435 ' OE1' ' HA ' ' A' ' 8' ' ' ALA . 1.4 mp0 -75.78 -40.25 55.52 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.819 -0.438 . . . . 0.0 109.819 179.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 8' ' ' ALA . 94.8 mt -61.85 -44.06 97.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.272 178.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -68.05 -40.21 82.86 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.87 179.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -61.16 -43.84 98.26 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-O 120.862 0.363 . . . . 0.0 110.133 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 68.3 tp -66.48 -31.57 72.39 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.696 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -74.38 -37.73 63.35 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 120.927 0.394 . . . . 0.0 110.308 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -77.1 -30.81 55.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.594 178.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -69.35 -32.94 72.34 Favored 'General case' 0 C--O 1.237 0.412 0 CA-C-O 121.19 0.519 . . . . 0.0 109.661 178.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 75.4 mtp85 -82.55 80.1 8.79 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.12 176.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 -87.25 -7.1 58.24 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.644 -179.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.546 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 34.3 mt-10 -55.05 -50.99 67.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.762 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.53 ' O ' ' HG3' ' A' ' 26' ' ' GLU . 45.1 mt-10 -64.39 -29.38 70.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.076 -177.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.71 -26.57 64.41 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 121.098 0.475 . . . . 0.0 110.268 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -86.92 -34.05 19.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.787 177.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.546 ' HG ' ' O ' ' A' ' 21' ' ' GLU . 88.6 mt -65.43 -35.92 82.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.31 -179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.53 ' HG3' ' O ' ' A' ' 22' ' ' GLU . 45.9 mt-10 -63.21 -35.41 80.24 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-O 121.104 0.478 . . . . 0.0 110.258 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 35.8 ttm105 -69.37 -40.42 77.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.581 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 56.4 tp -65.74 -28.74 69.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.241 178.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.545 ' HG3' ' O ' ' A' ' 25' ' ' LEU . 56.0 mtpt -79.68 -21.76 44.28 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.133 178.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.5 m -77.27 -26.34 52.32 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -79.81 -14.67 58.52 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.126 177.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.462 ' HG2' ' ND1' ' A' ' 33' ' ' HIS . 39.2 ttm180 -61.41 134.1 56.53 Favored 'General case' 0 CA--C 1.552 1.056 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.73 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.462 ' ND1' ' HG2' ' A' ' 32' ' ' ARG . 71.2 m80 68.55 4.6 4.39 Favored 'General case' 0 C--N 1.366 1.314 0 C-N-CA 122.679 0.391 . . . . 0.0 111.707 -177.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -116.71 -19.6 9.88 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.889 0.376 . . . . 0.0 110.612 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -52.84 -43.21 65.86 Favored 'General case' 0 N--CA 1.472 0.666 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.571 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -61.15 -30.47 70.4 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.209 -178.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -70.01 -45.05 68.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.167 178.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.7 mttp -68.76 -34.83 76.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.805 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -67.65 -35.38 78.78 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.746 0.308 . . . . 0.0 110.446 177.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -75.29 -24.8 57.57 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.143 0.497 . . . . 0.0 109.661 178.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -72.37 -45.22 60.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.364 -0.834 . . . . 0.0 108.91 178.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 50.6 ttt180 -63.91 -49.99 70.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.929 178.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -59.3 -31.81 69.47 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.612 -176.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -64.57 -31.74 73.09 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 120.777 0.322 . . . . 0.0 110.893 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 49.3 mt -91.07 -30.93 16.48 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 120.991 0.424 . . . . 0.0 110.244 178.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -69.68 -34.79 74.44 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.466 -175.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -68.04 -25.38 65.34 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.747 179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -78.28 -57.75 3.62 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.82 179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 3.8 pp -67.41 -16.56 64.3 Favored 'General case' 0 C--O 1.237 0.435 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -175.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -78.12 -40.54 37.81 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.393 -0.523 . . . . 0.0 111.229 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -91.24 -48.59 6.84 Favored 'General case' 0 CA--C 1.511 -0.537 0 CA-C-O 120.955 0.407 . . . . 0.0 111.324 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -89.52 174.91 7.51 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.936 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 17.7 pt20 -139.05 137.16 36.02 Favored 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.226 -177.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -85.91 -5.78 59.18 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-O 121.504 0.668 . . . . 0.0 109.703 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -54.67 -33.83 61.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 114.891 -1.05 . . . . 0.0 111.315 178.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 78.7 mt -66.19 -25.67 67.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.003 0.43 . . . . 0.0 111.16 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -93.58 3.86 54.85 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.441 179.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 87.88 9.62 70.88 Favored Glycine 0 C--O 1.236 0.232 0 C-N-CA 120.64 -0.791 . . . . 0.0 111.641 -178.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 64.61 -85.29 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.267 0.627 . . . . 0.0 111.578 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 47.1 mt -152.64 157.96 41.72 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.378 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 69.7 mtt-85 -108.12 -172.93 2.16 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 176.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -97.32 166.84 11.36 Favored 'General case' 0 N--CA 1.435 -1.19 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 175.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.5 pt -75.97 -17.42 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 120.527 -0.469 . . . . 0.0 112.037 -175.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -87.16 -3.51 59.06 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.705 0.288 . . . . 0.0 111.584 179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -87.15 -5.66 58.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.303 0.573 . . . . 0.0 109.763 177.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.527 ' O ' ' HG2' ' A' ' 69' ' ' GLU . 49.6 tttm -158.52 44.97 0.3 Allowed 'General case' 0 C--N 1.314 -0.971 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 -179.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -71.02 5.56 1.99 Allowed 'General case' 0 C--N 1.342 0.252 0 CA-C-N 116.24 -0.436 . . . . 0.0 112.172 -177.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.45 -16.45 55.36 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.989 0.423 . . . . 0.0 110.187 175.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 66' ' ' LYS . 17.7 mm-40 -63.33 -26.94 68.99 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 115.804 -0.635 . . . . 0.0 109.549 176.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -84.59 -7.21 59.33 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.383 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 99.2 mttt 67.89 -178.62 0.22 Allowed 'General case' 0 CA--C 1.551 1.0 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 -175.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -150.67 -33.78 0.16 Allowed 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 119.513 -0.875 . . . . 0.0 112.546 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 50.4 mttm -113.0 -18.96 12.08 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.789 0.663 . . . . 0.0 112.789 -173.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -73.79 -31.06 63.09 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -125.42 -164.23 1.28 Allowed 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.824 -179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -114.26 -26.17 8.13 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.145 0.498 . . . . 0.0 110.003 -179.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 . . . . . 0 N--CA 1.443 -0.802 0 CA-C-O 118.395 -0.812 . . . . 0.0 109.39 179.931 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.299 0 N-CA-C 112.124 -0.39 . . . . 0.0 112.124 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -75.6 -4.69 41.46 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -177.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.3 p -69.83 -8.15 9.89 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.776 0 CA-C-O 121.143 0.497 . . . . 0.0 110.972 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -120.08 172.24 7.89 Favored 'General case' 0 CA--C 1.551 1.004 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -85.11 48.66 1.6 Allowed 'General case' 0 CA--C 1.536 0.418 0 O-C-N 122.156 -0.34 . . . . 0.0 111.85 -177.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.8 tp -65.41 -53.68 39.61 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.085 0.469 . . . . 0.0 110.222 177.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 12.6 p -107.7 177.32 4.86 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.524 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -118.48 20.43 13.02 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 121.135 0.493 . . . . 0.0 110.832 -178.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -63.55 -30.27 71.41 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.804 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.31 -29.18 62.52 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.58 178.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 59.1 mm-40 -73.83 -43.35 59.0 Favored 'General case' 0 CA--C 1.517 -0.321 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.7 mt -60.68 -40.86 93.7 Favored 'General case' 0 C--O 1.222 -0.384 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.327 177.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 49.2 tt0 -58.63 -41.34 85.73 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.601 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.465 ' O ' ' HG3' ' A' ' 18' ' ' GLU . 34.3 ttm105 -69.63 -48.78 58.78 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.063 -179.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.67 -24.26 67.71 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.967 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -72.98 -28.61 62.49 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.087 178.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.4 t30 -89.92 -32.82 16.67 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.811 179.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 41.4 mt-10 -78.13 -65.84 0.92 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.726 -179.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.3 mtm-85 59.24 22.27 10.51 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.317 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.432 ' O ' ' HG3' ' A' ' 24' ' ' GLU . 52.0 m80 -83.91 0.37 48.07 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -176.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.502 ' O ' ' HG ' ' A' ' 25' ' ' LEU . 47.1 mt-10 -55.43 -57.13 13.14 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.014 0.435 . . . . 0.0 110.822 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -68.41 -24.44 64.75 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.314 -178.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.25 -30.95 69.19 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.978 0.418 . . . . 0.0 110.099 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.533 ' O ' ' HG ' ' A' ' 28' ' ' LEU . 42.3 mt-10 -80.87 -38.49 28.04 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 177.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.514 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 88.2 mt -62.46 -35.97 81.0 Favored 'General case' 0 C--O 1.219 -0.53 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.286 -179.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -60.7 -41.6 95.52 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.952 0.406 . . . . 0.0 110.268 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -64.73 -40.11 94.78 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.157 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.533 ' HG ' ' O ' ' A' ' 24' ' ' GLU . 42.5 mt -73.04 -28.86 62.58 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.299 -178.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' ' 25' ' ' LEU . 73.8 mmtt -82.86 -27.52 30.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.909 -179.303 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 16.7 m -89.18 -28.71 19.82 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.175 -179.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -131.83 122.75 26.25 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.725 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -90.56 72.67 6.86 Favored 'General case' 0 N--CA 1.435 -1.181 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 176.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.551 ' HB2' ' HB2' ' A' ' 37' ' ' LYS . 11.6 p80 -53.73 -19.0 3.59 Favored 'General case' 0 C--N 1.362 1.116 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -178.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 t70 57.42 33.51 23.39 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 123.613 0.765 . . . . 0.0 112.34 175.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 73.84 -36.58 0.34 Allowed 'General case' 0 N--CA 1.48 1.064 0 N-CA-C 113.299 0.852 . . . . 0.0 113.299 175.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -54.26 -49.09 70.34 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 -177.296 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.564 ' O ' ' HG3' ' A' ' 41' ' ' GLU . 53.3 mtpt -61.08 -35.9 78.21 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.97 -0.292 . . . . 0.0 111.64 -179.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -66.56 -37.89 85.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.937 0.398 . . . . 0.0 110.729 -178.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -69.25 -28.82 66.66 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.408 177.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.11 -23.78 60.54 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.285 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.564 ' HG3' ' O ' ' A' ' 37' ' ' LYS . 69.4 mt-10 -72.32 -53.96 10.88 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.176 -0.466 . . . . 0.0 109.772 178.358 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.7 mtm180 -66.8 -44.69 80.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.75 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -60.95 -43.48 98.64 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.811 -178.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.38 -27.1 46.77 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.747 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 54.3 tp -73.89 -39.3 63.99 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.683 -0.407 . . . . 0.0 111.151 -178.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -86.04 -28.18 24.3 Favored 'General case' 0 C--O 1.238 0.48 0 C-N-CA 120.772 -0.371 . . . . 0.0 111.181 -178.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -68.57 -36.29 78.55 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.443 179.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -80.24 -27.33 38.71 Favored 'General case' 0 C--O 1.223 -0.29 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.051 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.1 tp -70.0 -33.34 71.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.01 0.433 . . . . 0.0 110.355 179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -87.06 -23.92 24.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 178.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -82.0 -39.65 23.29 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.361 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 73.65 -3.28 2.53 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 115.371 -0.832 . . . . 0.0 112.368 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 63.05 -163.77 0.26 Allowed 'General case' 0 C--O 1.237 0.422 0 C-N-CA 123.312 0.645 . . . . 0.0 111.449 177.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -107.59 135.39 49.12 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 36.5 p-80 -158.44 -173.16 4.16 Favored 'General case' 0 C--N 1.312 -1.034 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.033 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.63 -54.68 28.1 Favored 'General case' 0 C--N 1.338 0.09 0 CA-C-O 120.573 0.225 . . . . 0.0 110.984 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 48.1 t30 63.38 95.61 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.039 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.468 -178.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -144.54 31.17 1.81 Allowed Glycine 0 C--N 1.312 -0.805 0 C-N-CA 120.147 -1.025 . . . . 0.0 112.319 -178.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 62.18 32.41 17.31 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-O 120.844 0.354 . . . . 0.0 110.38 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 64.2 tp -57.25 108.51 0.54 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.497 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.559 ' HD3' ' OE1' ' A' ' 65' ' ' GLU . 73.3 mtt180 -139.96 -170.77 3.02 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 177.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -127.82 175.22 8.5 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 120.441 -0.504 . . . . 0.0 110.737 -179.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 11.8 tt -78.28 -23.99 13.64 Favored 'Isoleucine or valine' 0 C--N 1.344 0.363 0 CA-C-O 121.48 0.657 . . . . 0.0 110.556 -178.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 65.0 t30 -98.95 37.5 1.52 Allowed 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.767 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.559 ' OE1' ' HD3' ' A' ' 61' ' ' ARG . 30.2 tt0 -52.36 -40.32 61.84 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.562 -179.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -78.12 -7.77 57.42 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.747 -177.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 64.12 15.5 9.34 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 122.869 0.468 . . . . 0.0 111.029 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -85.5 -2.47 58.16 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 -175.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 61.12 23.41 13.61 Favored 'General case' 0 N--CA 1.487 1.375 0 CA-C-O 120.745 0.307 . . . . 0.0 111.109 179.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 70' ' ' ARG . 53.0 mtp180 63.66 18.59 11.21 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.355 -177.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt 64.74 10.6 6.15 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.162 -0.926 . . . . 0.0 111.303 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 41.55 37.19 0.66 Allowed 'General case' 0 C--N 1.36 1.025 0 C-N-CA 124.058 0.943 . . . . 0.0 111.559 -178.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -55.09 159.66 2.38 Favored 'General case' 0 CA--C 1.548 0.891 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.583 -176.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.463 ' HG3' ' H ' ' A' ' 76' ' ' GLU . 9.8 pt-20 -81.77 -4.81 57.3 Favored 'General case' 0 C--N 1.344 0.35 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -174.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . 63.11 24.45 14.45 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-O 120.831 0.348 . . . . 0.0 110.637 -179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.463 ' H ' ' HG3' ' A' ' 74' ' ' GLU . 34.0 tt0 66.31 66.72 0.47 Allowed 'General case' 0 CA--C 1.552 1.034 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.683 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 . . . . . 0 C--O 1.252 1.212 0 CA-C-O 118.863 -0.589 . . . . 0.0 112.255 176.519 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.378 0 N-CA-C 111.707 -0.557 . . . . 0.0 111.707 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.5 m -113.03 -33.1 6.15 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 120.787 0.327 . . . . 0.0 111.041 -179.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.6 t -75.01 -40.05 44.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 178.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -109.22 163.94 12.91 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 108.369 -0.974 . . . . 0.0 108.369 176.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -91.32 9.81 29.96 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 118.429 0.559 . . . . 0.0 111.208 -178.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.5 mt -105.06 -164.4 1.04 Allowed 'General case' 0 C--N 1.315 -0.922 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 176.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 45.0 p -96.27 174.95 6.63 Favored 'General case' 0 C--N 1.316 -0.88 0 C-N-CA 120.505 -0.478 . . . . 0.0 109.923 179.206 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.405 ' O ' ' HG ' ' A' ' 12' ' ' LEU . . . -77.95 -27.53 49.31 Favored 'General case' 0 CA--C 1.517 -0.293 0 C-N-CA 120.397 -0.521 . . . . 0.0 109.955 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -72.91 -31.24 64.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.333 179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.57 -32.48 72.43 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.354 -178.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -75.23 -42.5 55.19 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.993 0.425 . . . . 0.0 110.247 179.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 8' ' ' ALA . 86.3 mt -64.99 -38.58 91.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.862 178.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.6 tm0? -65.14 -41.84 94.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.426 178.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -56.46 -50.35 71.98 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.744 178.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.9 mt -67.55 -27.67 67.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.683 -178.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -82.81 -38.55 22.95 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.887 0.375 . . . . 0.0 110.775 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -69.63 -30.13 67.78 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.889 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -75.83 -15.72 60.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.125 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 71.73 124.39 0.03 OUTLIER 'General case' 0 C--N 1.343 0.286 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.004 179.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -70.15 -49.29 51.99 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.616 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 70.27 -59.15 0.53 Allowed 'General case' 0 N--CA 1.489 1.478 0 N-CA-C 112.978 0.733 . . . . 0.0 112.978 177.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -62.47 -28.13 69.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.525 0.203 . . . . 0.0 111.179 -176.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.94 -28.48 68.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.023 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -86.86 -37.81 17.36 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.819 -0.437 . . . . 0.0 109.819 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 75.9 mt -71.01 -32.06 68.74 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.035 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -76.05 -39.72 54.93 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 177.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -62.07 -34.39 76.18 Favored 'General case' 0 C--O 1.218 -0.559 0 CA-C-N 115.096 -0.957 . . . . 0.0 109.882 178.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 65.9 tp -61.04 -31.46 71.1 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.234 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -72.47 -28.66 63.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.341 . . . . 0.0 110.459 -178.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.7 m -91.06 -26.75 19.01 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.073 0.463 . . . . 0.0 110.587 177.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -73.03 -33.97 66.05 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.174 -179.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -94.92 163.25 13.41 Favored 'General case' 0 N--CA 1.439 -1.013 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 177.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -97.37 172.59 7.67 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 118.978 0.808 . . . . 0.0 110.262 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -136.72 106.13 6.09 Favored 'General case' 0 CA--C 1.507 -0.674 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.456 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 10.8 t-80 -162.74 -46.16 0.04 OUTLIER 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.919 -177.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -57.64 -36.94 72.51 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.111 179.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 60.9 tttp -60.61 -44.51 96.23 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.925 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.433 ' O ' ' HB3' ' A' ' 41' ' ' GLU . 49.0 tttm -74.59 -23.18 58.7 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.603 -178.26 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 35' ' ' HIS . 46.9 mt-10 -69.4 -30.8 68.85 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 175.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.98 -20.33 52.84 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 177.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.433 ' HB3' ' O ' ' A' ' 38' ' ' LYS . 1.5 tm-20 -71.59 -46.05 60.39 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 175.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.11 -47.16 84.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.547 -0.752 . . . . 0.0 109.964 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -63.06 -29.75 71.06 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.383 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -61.59 -26.58 68.06 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.792 0.33 . . . . 0.0 111.07 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 62.3 tp -84.35 -29.93 25.89 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.043 179.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -75.12 -36.16 61.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.769 -178.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -71.16 -28.71 64.45 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 120.867 0.365 . . . . 0.0 110.761 179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -83.82 -42.54 16.34 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.588 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 31.9 tp -62.45 -25.88 68.21 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.028 0.442 . . . . 0.0 110.885 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.7 -18.46 37.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.95 179.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -88.91 -51.39 5.65 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.258 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 49.0 pttt -165.27 -171.29 2.13 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.671 178.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' A' ' 53' ' ' GLN . 52.5 tt0 64.1 11.85 6.53 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 121.903 0.858 . . . . 0.0 109.928 -176.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -60.78 145.66 48.89 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 114.939 -1.028 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -100.78 -39.83 7.63 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.8 mt 56.43 -171.79 0.08 Allowed 'General case' 0 CA--C 1.542 0.669 0 O-C-N 123.665 0.603 . . . . 0.0 111.277 -178.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.517 ' HB3' HD12 ' A' ' 63' ' ' ILE . 95.2 m-20 60.76 8.49 1.82 Allowed 'General case' 0 N--CA 1.485 1.284 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 178.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 65.89 16.72 64.32 Favored Glycine 0 CA--C 1.519 0.318 0 C-N-CA 120.839 -0.696 . . . . 0.0 111.996 -177.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . 60.1 23.24 12.48 Favored 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 121.056 0.455 . . . . 0.0 110.958 -178.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.0 mt -90.2 132.54 35.43 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.121 0.486 . . . . 0.0 111.621 -178.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 -89.7 -10.99 43.69 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.371 179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -64.63 -19.08 65.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.571 -0.741 . . . . 0.0 111.751 -178.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.517 HD12 ' HB3' ' A' ' 57' ' ' ASN . 37.8 mt -68.8 -31.13 49.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.103 0.478 . . . . 0.0 110.281 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -84.24 -14.19 50.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.435 0.636 . . . . 0.0 109.794 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -91.33 107.99 19.58 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.583 -179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 94.0 mttt -76.85 -26.32 54.16 Favored 'General case' 0 C--O 1.241 0.624 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.591 178.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 53.63 43.45 31.12 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 123.686 0.617 . . . . 0.0 110.303 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -75.14 -2.73 29.05 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.421 -179.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.509 ' HG3' ' H ' ' A' ' 71' ' ' LYS . 9.6 tp10 70.02 -74.68 0.08 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.382 0.673 . . . . 0.0 111.652 178.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 70' ' ' ARG . 54.7 ttp180 62.52 19.27 11.11 Favored 'General case' 0 N--CA 1.477 0.917 0 CA-C-O 121.552 0.691 . . . . 0.0 110.654 179.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.509 ' H ' ' HG3' ' A' ' 69' ' ' GLU . 86.8 tttt -65.6 -43.43 89.71 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.76 -0.655 . . . . 0.0 111.348 -176.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -81.62 -6.38 58.95 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.54 -0.3 . . . . 0.0 111.146 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.608 ' HG2' ' OXT' ' A' ' 77' ' ' GLN . 46.3 tttp 61.25 -165.13 0.23 Allowed 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.594 ' H ' ' HG2' ' A' ' 73' ' ' LYS . 5.7 tp10 66.85 9.55 6.88 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 176.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.82 -47.44 21.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.473 0.654 . . . . 0.0 109.242 178.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -131.44 -36.98 1.24 Allowed 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 115.065 -0.97 . . . . 0.0 108.726 175.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.608 ' OXT' ' HG2' ' A' ' 73' ' ' LYS . 35.9 tt0 . . . . . 0 C--O 1.25 1.112 0 CA-C-N 114.825 -1.08 . . . . 0.0 108.284 175.809 . . . . . . . . 1 1 . 1 stop_ save_