data_1le3_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1le3 _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.621 0 CA-C-O 120.856 0.36 . . . . 0.0 111.462 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -117.39 137.71 52.29 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.322 0.649 . . . . 0.0 112.037 -177.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.0 m -134.59 141.44 46.64 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 126.382 1.873 . . . . 0.0 110.153 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -84.1 138.45 33.03 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.953 1.301 . . . . 0.0 112.728 -174.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -131.41 90.76 2.91 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.865 0.841 . . . . 0.0 111.529 -171.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -54.23 -29.42 46.47 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.939 1.696 . . . . 0.0 114.1 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.36 -13.03 6.83 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 170.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.8 p -130.57 -15.74 3.5 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.717 1.607 . . . . 0.0 115.112 171.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 83.6 mttt 59.66 39.88 20.64 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.016 1.726 . . . . 0.0 112.924 -173.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.0 t -143.69 -174.12 4.16 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 121.887 0.851 . . . . 0.0 109.759 174.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -96.0 151.57 19.32 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 122.376 1.084 . . . . 0.0 110.826 176.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.3 p -131.04 135.2 47.36 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 125.738 1.615 . . . . 0.0 108.977 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 71.4 t-105 -83.57 127.96 34.15 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 114.418 -1.265 . . . . 0.0 110.283 177.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.3 m . . . . . 0 C--O 1.234 0.264 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 174.943 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.539 0.531 0 CA-C-O 121.777 0.799 . . . . 0.0 113.016 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -113.12 134.87 54.34 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.652 1.181 . . . . 0.0 110.704 176.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.0 p -107.61 151.17 25.98 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 127.432 2.293 . . . . 0.0 108.562 170.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.6 t-105 -94.54 139.23 31.45 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.855 0.462 . . . . 0.0 109.99 176.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -125.76 89.91 3.11 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 122.905 1.336 . . . . 0.0 109.92 -173.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -58.03 -13.2 4.22 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -88.93 -6.9 56.95 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 120.183 1.356 . . . . 0.0 113.199 176.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.8 p -131.87 5.59 4.25 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.279 1.832 . . . . 0.0 112.697 177.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt 43.42 44.86 5.12 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.89 2.076 . . . . 0.0 112.025 -178.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.91 172.7 14.27 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 124.073 0.949 . . . . 0.0 111.324 -171.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -98.6 149.29 22.93 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.929 0.891 . . . . 0.0 110.199 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.1 m -137.58 134.05 35.14 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.18 1.792 . . . . 0.0 110.092 -176.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 70.7 t-105 -84.21 139.78 32.15 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.481 1.112 . . . . 0.0 113.175 -173.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.1 t . . . . . 0 N--CA 1.465 0.312 0 CA-C-O 122.03 0.919 . . . . 0.0 111.02 170.123 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 . . . . . 0 C--O 1.237 0.401 0 CA-C-O 121.458 0.646 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -89.58 143.61 26.67 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.866 -0.521 . . . . 0.0 109.98 171.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.8 m -126.74 124.8 40.59 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 125.288 1.435 . . . . 0.0 108.407 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -69.3 149.53 48.37 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 123.286 0.634 . . . . 0.0 111.492 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -138.08 82.13 1.9 Allowed 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 122.126 0.965 . . . . 0.0 109.54 -173.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -56.8 -18.95 14.67 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.56 -20.64 64.89 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.58 1.152 . . . . 0.0 113.449 171.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.7 t -134.54 15.13 3.71 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.402 1.881 . . . . 0.0 111.556 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp 33.83 44.56 0.09 Allowed 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 128.28 2.632 . . . . 0.0 113.582 -174.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.3 m -141.12 172.04 13.24 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.0 1.32 . . . . 0.0 108.523 -174.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -98.05 146.08 25.89 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 120.803 -1.186 . . . . 0.0 110.187 173.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.7 t -124.49 160.13 28.98 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.582 1.553 . . . . 0.0 110.777 170.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -94.85 141.9 28.1 Favored 'General case' 0 CA--C 1.528 0.121 0 O-C-N 121.13 -0.982 . . . . 0.0 111.641 -173.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.467 0.403 0 C-N-CA 126.632 1.973 . . . . 0.0 108.53 -173.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 . . . . . 0 CA--C 1.538 0.505 0 CA-C-O 120.819 0.342 . . . . 0.0 110.709 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -100.11 139.62 35.51 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.659 0.783 . . . . 0.0 110.242 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.1 p -135.66 147.95 48.76 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.458 1.503 . . . . 0.0 110.216 -176.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 -88.61 147.74 24.41 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 121.732 -0.605 . . . . 0.0 111.292 -173.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -132.38 82.29 2.0 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.688 0.756 . . . . 0.0 110.613 -171.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -52.49 -29.72 26.39 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 127.787 2.435 . . . . 0.0 115.058 -178.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.34 -26.0 66.28 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.311 0.96 . . . . 0.0 112.6 172.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.3 p -116.41 -19.48 10.1 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.769 1.628 . . . . 0.0 114.574 -169.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.8 mptt 69.16 30.56 4.3 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 128.464 2.705 . . . . 0.0 113.179 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.9 t -149.35 -176.79 5.52 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.237 -0.914 . . . . 0.0 109.924 176.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -104.62 129.1 52.79 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 124.18 0.992 . . . . 0.0 110.258 -171.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.1 t -106.71 163.85 12.57 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.069 0.948 . . . . 0.0 110.075 170.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 44.6 t-105 -109.89 138.03 46.85 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.672 1.589 . . . . 0.0 108.079 -174.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.4 t . . . . . 0 N--CA 1.472 0.636 0 CA-C-O 122.036 0.922 . . . . 0.0 110.186 177.46 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.538 0.503 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 99.9 m95 -102.4 140.8 36.2 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.439 -0.788 . . . . 0.0 110.561 175.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.36 128.97 32.67 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 128.697 2.799 . . . . 0.0 110.639 -173.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -74.53 144.19 44.18 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.752 1.221 . . . . 0.0 113.172 -178.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -134.17 86.27 2.26 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.568 1.547 . . . . 0.0 109.037 -170.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -63.72 -18.74 64.33 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.691 0.797 . . . . 0.0 113.003 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.51 -26.75 68.05 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 115.097 1.518 . . . . 0.0 115.097 178.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.7 t -131.73 16.55 4.79 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 125.54 1.536 . . . . 0.0 112.12 169.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.3 mttt 37.64 66.62 0.44 Allowed 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 129.091 2.957 . . . . 0.0 115.154 -173.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.3 t -146.67 178.24 8.46 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.98 0.912 . . . . 0.0 112.559 172.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -101.66 143.87 31.08 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.595 0.758 . . . . 0.0 109.971 171.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.4 m -132.92 137.71 46.71 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 127.124 2.17 . . . . 0.0 109.342 -172.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -78.94 137.15 37.48 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.542 0.737 . . . . 0.0 110.765 -177.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.1 m . . . . . 0 CA--C 1.521 -0.167 0 C-N-CA 125.592 1.557 . . . . 0.0 109.342 -178.195 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 . . . . . 0 C--O 1.238 0.454 0 CA-C-O 122.086 0.946 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -88.95 134.4 33.98 Favored 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 121.68 -0.637 . . . . 0.0 110.826 170.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.2 m -106.42 146.99 29.82 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 169.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -80.08 140.41 36.49 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.064 -1.023 . . . . 0.0 109.941 174.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -124.89 96.34 4.84 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 122.617 1.199 . . . . 0.0 112.209 -174.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -50.82 -30.89 15.49 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 127.379 2.272 . . . . 0.0 114.309 175.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.68 -15.23 60.33 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.7 p -126.71 5.12 6.71 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 125.655 1.582 . . . . 0.0 112.511 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt 34.79 44.92 0.13 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.231 1.812 . . . . 0.0 111.716 -169.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.6 m -146.44 173.75 12.0 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.762 1.625 . . . . 0.0 108.281 -172.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -96.26 141.8 29.17 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 176.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.4 m -130.26 146.38 51.86 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 177.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 59.7 t-105 -89.87 139.47 30.55 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 122.377 1.084 . . . . 0.0 112.029 -169.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.38 0 C-N-CA 127.422 2.289 . . . . 0.0 107.567 -174.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? . . . . . 0 CA--C 1.54 0.593 0 CA-C-O 120.999 0.428 . . . . 0.0 112.038 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -95.72 127.3 41.63 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.556 -0.715 . . . . 0.0 109.265 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.93 139.46 44.97 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.222 1.409 . . . . 0.0 110.988 -169.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -84.57 145.84 27.85 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.371 -0.831 . . . . 0.0 112.364 -175.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -140.41 93.27 2.6 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 -171.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.14 -25.82 65.8 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 128.404 2.681 . . . . 0.0 115.252 177.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.5 -12.13 29.49 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.782 1.233 . . . . 0.0 113.992 175.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.4 m -138.33 -12.77 1.38 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.117 1.767 . . . . 0.0 112.349 169.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.6 mttp 65.86 58.62 0.76 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 129.78 3.232 . . . . 0.0 112.191 -177.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.1 t -145.68 177.2 9.07 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -177.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -98.56 122.7 42.1 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.719 1.208 . . . . 0.0 109.14 169.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.9 m -115.99 148.61 39.93 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.984 1.714 . . . . 0.0 108.353 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 62.8 t-105 -92.4 138.42 31.53 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.53 -0.731 . . . . 0.0 110.369 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.8 m . . . . . 0 C--N 1.331 -0.226 0 C-N-CA 125.631 1.572 . . . . 0.0 107.274 -175.05 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 . . . . . 0 CA--C 1.548 0.883 0 CA-C-O 119.896 -0.097 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -101.02 144.22 30.22 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.4 -0.812 . . . . 0.0 111.602 173.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.6 p -139.96 166.02 25.76 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 128.134 2.573 . . . . 0.0 112.102 -178.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -98.85 143.12 29.53 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.104 1.362 . . . . 0.0 113.146 -169.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -127.6 83.46 2.16 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.879 0.847 . . . . 0.0 110.503 177.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -50.61 -31.35 15.74 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 127.95 2.5 . . . . 0.0 114.556 -177.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.7 -20.41 56.14 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.577 1.151 . . . . 0.0 113.66 171.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.1 p -117.89 -21.98 8.13 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 128.848 2.859 . . . . 0.0 112.724 -176.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm 57.1 32.02 20.98 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.247 1.419 . . . . 0.0 112.632 -169.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.7 p -120.05 168.0 11.62 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.772 2.029 . . . . 0.0 111.127 174.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -99.7 151.19 21.51 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.111 1.365 . . . . 0.0 108.928 169.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.7 m -142.71 158.69 43.39 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.961 2.104 . . . . 0.0 110.664 -171.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 59.5 t-105 -96.35 142.4 28.52 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.073 0.949 . . . . 0.0 112.858 -177.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.4 p . . . . . 0 N--CA 1.476 0.835 0 C-N-CA 125.375 1.47 . . . . 0.0 110.965 175.599 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.551 0.984 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -114.26 152.11 31.82 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.416 1.486 . . . . 0.0 111.6 -177.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.0 p -140.36 159.0 43.17 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.77 2.028 . . . . 0.0 111.822 177.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -91.75 143.44 26.53 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.779 0.832 . . . . 0.0 110.503 171.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -133.73 101.38 5.08 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.688 0.756 . . . . 0.0 111.734 -172.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -65.28 -23.34 67.01 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -172.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.51 1.7 13.51 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 119.431 1.014 . . . . 0.0 113.464 171.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.0 p -129.17 -21.8 3.21 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.15 0.98 . . . . 0.0 113.531 169.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.0 mtmm 55.99 39.01 30.57 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.282 1.433 . . . . 0.0 111.151 -169.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.8 p -137.08 -179.51 5.76 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 126.107 1.763 . . . . 0.0 109.571 174.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -96.82 149.12 22.21 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.962 0.887 . . . . 0.0 110.203 173.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.0 m -134.49 129.57 35.37 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 126.119 1.768 . . . . 0.0 109.506 -174.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -76.96 150.6 35.89 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.365 1.066 . . . . 0.0 109.884 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.0 p . . . . . 0 C--N 1.325 -0.478 0 C-N-CA 126.15 1.78 . . . . 0.0 107.128 -173.601 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 CA--C 1.543 0.705 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -97.93 129.73 44.83 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.714 1.205 . . . . 0.0 112.188 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 88.9 m -123.05 153.53 39.73 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.625 1.57 . . . . 0.0 110.15 -178.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -100.01 142.52 31.37 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.73 1.212 . . . . 0.0 112.205 -174.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -137.95 91.81 2.61 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.326 1.051 . . . . 0.0 112.435 -175.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -53.6 -35.01 60.41 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.328 1.451 . . . . 0.0 114.895 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.48 -3.76 4.86 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.863 1.211 . . . . 0.0 113.959 175.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.0 p -129.88 0.54 4.81 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.426 1.89 . . . . 0.0 112.267 170.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.2 mttt 31.75 48.3 0.09 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.412 2.285 . . . . 0.0 111.926 -168.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.0 m -140.17 169.07 18.36 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.017 1.727 . . . . 0.0 109.657 -174.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -97.37 142.79 28.8 Favored 'General case' 0 C--O 1.228 -0.06 0 C-N-CA 124.917 1.287 . . . . 0.0 109.751 170.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.6 m -129.5 136.89 50.43 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.213 1.405 . . . . 0.0 108.365 -177.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 69.3 t-105 -76.75 144.08 39.48 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 121.138 0.494 . . . . 0.0 110.969 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.537 0.471 0 C-N-CA 125.429 1.492 . . . . 0.0 110.653 -169.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 CA--C 1.539 0.524 0 CA-C-O 121.899 0.857 . . . . 0.0 113.309 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -89.5 151.43 21.99 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.909 0.884 . . . . 0.0 111.23 175.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.2 m -139.0 130.69 27.45 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 124.703 1.201 . . . . 0.0 110.368 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -76.36 146.17 38.95 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.589 1.556 . . . . 0.0 111.199 174.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -138.29 92.86 2.68 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.236 0.541 . . . . 0.0 111.922 -174.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.28 -16.75 37.04 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -177.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.81 -11.46 60.15 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 172.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.32 -15.51 4.1 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 125.251 1.42 . . . . 0.0 114.522 173.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp 62.25 40.82 11.11 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.445 1.898 . . . . 0.0 112.844 -177.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.9 p -139.07 167.82 21.2 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 126.734 2.014 . . . . 0.0 111.268 -177.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -101.09 146.27 27.67 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 125.314 1.445 . . . . 0.0 110.695 171.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 72.0 p -140.98 152.91 45.3 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.555 1.542 . . . . 0.0 110.489 -172.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 67.6 t-105 -98.64 141.21 31.75 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.508 1.049 . . . . 0.0 111.966 -175.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p . . . . . 0 N--CA 1.471 0.607 0 C-N-CA 126.042 1.737 . . . . 0.0 111.212 178.73 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 . . . . . 0 CA--C 1.547 0.837 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -112.75 147.19 37.39 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.037 -1.039 . . . . 0.0 111.974 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.1 m -142.51 157.15 45.04 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 120.385 -1.447 . . . . 0.0 111.906 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -89.4 146.39 24.7 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.468 1.107 . . . . 0.0 112.997 -170.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -135.33 85.6 2.18 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.13 1.372 . . . . 0.0 111.061 -169.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -52.18 -29.21 21.27 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.735 1.614 . . . . 0.0 113.782 176.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.13 -5.32 30.76 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.502 1.121 . . . . 0.0 113.634 176.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.3 p -132.71 -15.92 2.66 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.558 1.543 . . . . 0.0 113.608 170.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.1 mttt 58.27 43.7 19.81 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.105 1.762 . . . . 0.0 110.908 -169.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.7 p -139.75 178.27 7.36 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.584 1.554 . . . . 0.0 111.17 178.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -99.04 136.09 39.5 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 125.515 1.526 . . . . 0.0 110.007 172.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 t -119.42 166.33 13.21 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 126.156 1.782 . . . . 0.0 110.076 173.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -93.29 143.18 26.52 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 122.17 0.986 . . . . 0.0 110.693 -175.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.9 m . . . . . 0 CA--C 1.518 -0.264 0 C-N-CA 127.97 2.508 . . . . 0.0 105.99 -172.647 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 . . . . . 0 CA--C 1.542 0.663 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -89.97 148.25 23.21 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.656 0.741 . . . . 0.0 110.986 169.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.8 m -135.71 139.81 43.93 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.65 1.98 . . . . 0.0 109.017 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -84.67 131.44 34.59 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.338 0.655 . . . . 0.0 109.48 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -116.87 95.17 4.89 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.982 0.896 . . . . 0.0 111.931 -169.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -53.88 -26.6 25.67 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 126.953 2.101 . . . . 0.0 114.168 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.76 -10.08 25.02 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.585 1.154 . . . . 0.0 113.42 170.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.1 p -140.67 -18.21 0.86 Allowed 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 55.21 46.96 22.68 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 123.296 1.522 . . . . 0.0 110.816 -169.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -142.27 170.06 16.41 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 127.286 2.235 . . . . 0.0 108.589 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -96.8 139.85 32.24 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 121.583 -0.698 . . . . 0.0 110.696 172.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.8 m -136.43 156.28 48.84 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.796 1.638 . . . . 0.0 109.405 -175.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 29.7 t-105 -103.17 133.94 47.42 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 120.81 -1.181 . . . . 0.0 111.897 -173.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.7 m . . . . . 0 C--O 1.234 0.254 0 C-N-CA 127.127 2.171 . . . . 0.0 107.507 -177.584 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 CA--C 1.535 0.376 0 CA-C-O 120.996 0.427 . . . . 0.0 111.68 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -105.86 140.58 38.67 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-O 121.653 0.739 . . . . 0.0 110.617 170.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -129.89 120.35 24.75 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 126.126 1.77 . . . . 0.0 107.597 175.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -63.46 137.3 58.09 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.296 -0.878 . . . . 0.0 111.496 175.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -123.5 85.37 2.41 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 122.571 1.177 . . . . 0.0 110.473 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -57.55 -13.0 3.14 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.007 1.323 . . . . 0.0 114.474 175.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.13 -15.23 59.28 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.215 -0.928 . . . . 0.0 111.104 169.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.56 0.43 1.65 Allowed 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.604 1.162 . . . . 0.0 113.808 177.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 54.74 28.22 9.88 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.151 1.381 . . . . 0.0 112.59 -171.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.8 p -109.83 168.87 9.1 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.653 1.181 . . . . 0.0 110.868 175.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -97.8 142.57 29.4 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 168.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.6 p -119.42 143.27 47.57 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.222 1.809 . . . . 0.0 109.871 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -97.33 126.69 42.72 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.251 0.62 . . . . 0.0 110.183 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.6 m . . . . . 0 N--CA 1.468 0.458 0 C-N-CA 123.91 0.884 . . . . 0.0 109.332 -175.027 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.33 0 CA-C-O 121.307 0.575 . . . . 0.0 112.298 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -118.29 140.46 49.78 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 125.11 1.364 . . . . 0.0 110.856 -174.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.7 t -138.3 168.21 20.22 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.247 1.419 . . . . 0.0 110.682 169.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -89.39 148.99 23.19 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.587 1.155 . . . . 0.0 111.375 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -136.05 91.93 2.74 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.523 0.729 . . . . 0.0 111.471 -178.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -56.65 -26.87 57.26 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.264 1.426 . . . . 0.0 114.589 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.91 0.94 5.01 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 119.148 0.885 . . . . 0.0 113.221 170.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 37.6 p -134.84 -22.11 1.65 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 126.304 1.841 . . . . 0.0 114.832 172.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt 57.44 34.15 24.26 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.764 1.625 . . . . 0.0 111.051 -168.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.9 p -125.8 174.03 8.64 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 127.112 2.165 . . . . 0.0 110.943 175.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -97.66 139.7 33.16 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 169.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.6 m -129.06 141.88 51.08 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 127.11 2.164 . . . . 0.0 110.31 -169.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 54.9 t-105 -92.59 126.21 37.57 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.807 1.643 . . . . 0.0 111.507 -173.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.2 m . . . . . 0 N--CA 1.465 0.302 0 C-N-CA 125.513 1.525 . . . . 0.0 107.638 170.308 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 . . . . . 0 CA--C 1.551 1.01 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -114.7 127.14 55.59 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.002 -1.061 . . . . 0.0 112.91 -177.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 60.7 p -113.76 165.21 12.77 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.743 2.017 . . . . 0.0 111.396 175.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 61.5 t-105 -102.25 133.6 46.89 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.587 1.155 . . . . 0.0 110.235 173.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -117.7 82.36 1.81 Allowed 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 122.712 1.244 . . . . 0.0 110.818 -171.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -46.83 -42.36 17.1 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 127.109 2.163 . . . . 0.0 114.794 -175.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.72 -5.7 9.4 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.2 p -127.16 -17.31 4.82 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 128.107 2.563 . . . . 0.0 113.254 176.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? 51.19 54.17 11.65 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.566 2.346 . . . . 0.0 112.766 -172.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.4 t -147.43 177.57 9.13 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 123.948 0.899 . . . . 0.0 109.486 176.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -97.66 139.26 33.81 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 176.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.6 m -133.89 122.81 23.69 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.347 1.459 . . . . 0.0 110.184 -171.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -73.39 141.68 46.98 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 126.49 1.916 . . . . 0.0 112.356 177.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.464 0.238 0 C-N-CA 122.52 0.328 . . . . 0.0 111.359 171.225 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.536 0.43 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -100.14 139.47 35.77 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.339 0.656 . . . . 0.0 109.686 169.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.8 t -138.56 164.58 29.08 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.506 1.523 . . . . 0.0 110.968 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -79.72 148.8 31.39 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.511 0.725 . . . . 0.0 110.823 172.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -139.05 96.67 3.15 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.488 0.661 . . . . 0.0 111.364 173.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -55.68 -19.41 10.65 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.652 1.352 . . . . 0.0 114.652 177.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.94 -11.94 60.02 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 173.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 m -119.84 -12.76 9.15 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.825 1.65 . . . . 0.0 111.058 171.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.1 mttm 49.88 48.97 21.04 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 127.288 2.235 . . . . 0.0 110.727 -172.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 99.7 m -151.38 172.55 15.75 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.629 1.172 . . . . 0.0 109.814 -177.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -100.01 114.08 27.13 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.68 1.592 . . . . 0.0 109.903 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.7 t -117.3 160.94 20.31 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.031 1.733 . . . . 0.0 112.385 -170.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 68.3 t-105 -99.88 139.06 36.09 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.595 1.558 . . . . 0.0 110.645 -170.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.9 m . . . . . 0 N--CA 1.469 0.505 0 C-N-CA 124.332 1.053 . . . . 0.0 109.812 179.816 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 . . . . . 0 N--CA 1.465 0.306 0 CA-C-O 120.965 0.412 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -93.01 125.17 37.47 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 169.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.3 m -109.74 163.42 13.52 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 127.857 2.463 . . . . 0.0 109.855 174.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -101.38 116.24 32.33 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.703 1.201 . . . . 0.0 112.425 -169.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -100.98 86.46 3.06 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 123.662 1.696 . . . . 0.0 110.083 177.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -59.24 -14.47 11.08 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.981 1.713 . . . . 0.0 114.226 170.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.49 -25.07 65.78 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 119.018 0.826 . . . . 0.0 112.989 171.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.2 p -136.61 -5.71 1.98 Allowed 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 174.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.4 mptt 69.81 56.59 0.33 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 128.102 2.561 . . . . 0.0 112.064 -177.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.9 t -139.64 174.0 10.96 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 125.186 1.394 . . . . 0.0 110.39 178.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -98.3 147.56 24.53 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 169.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.7 t -134.58 153.45 51.95 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.675 2.39 . . . . 0.0 109.773 179.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -88.92 146.01 25.18 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.089 -1.007 . . . . 0.0 111.898 -174.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.1 m . . . . . 0 N--CA 1.467 0.409 0 C-N-CA 127.504 2.321 . . . . 0.0 108.606 -170.207 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 . . . . . 0 CA--C 1.538 0.501 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -97.63 136.21 38.34 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.505 0.722 . . . . 0.0 110.137 169.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.0 p -127.15 154.79 44.33 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 127.863 2.465 . . . . 0.0 110.036 -176.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -95.62 137.75 34.25 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.261 -0.9 . . . . 0.0 111.496 177.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -125.15 83.6 2.18 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.123 1.369 . . . . 0.0 111.488 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -49.62 -40.82 40.49 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.164 2.186 . . . . 0.0 115.382 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.21 -22.64 18.56 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 175.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 51.2 p -123.17 5.1 9.21 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 128.215 2.606 . . . . 0.0 111.867 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt 34.63 47.87 0.26 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 127.961 2.504 . . . . 0.0 113.874 -169.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.99 173.79 11.19 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 178.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -97.74 131.51 44.2 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.371 1.068 . . . . 0.0 110.174 176.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.7 p -119.82 161.81 20.16 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 127.761 2.425 . . . . 0.0 110.972 -173.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -108.46 138.89 44.02 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.457 0.703 . . . . 0.0 109.677 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.3 m . . . . . 0 CA--C 1.533 0.321 0 C-N-CA 123.343 0.657 . . . . 0.0 111.096 -169.646 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 . . . . . 0 CA--C 1.54 0.573 0 N-CA-C 111.226 0.084 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -94.95 140.77 29.48 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 122.008 -0.432 . . . . 0.0 109.95 169.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 t -131.4 146.43 52.26 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 123.873 0.869 . . . . 0.0 108.831 169.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -81.06 140.57 35.03 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 175.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -129.56 83.73 2.16 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 123.23 1.491 . . . . 0.0 107.645 -169.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.98 -16.94 34.54 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 126.7 2.0 . . . . 0.0 113.57 -178.101 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.99 -6.95 53.37 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.247 1.419 . . . . 0.0 113.214 173.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -137.0 -10.91 1.74 Allowed 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.333 1.453 . . . . 0.0 112.976 169.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.4 mttm 59.15 44.59 15.63 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.732 2.013 . . . . 0.0 112.215 -178.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.4 p -134.77 176.86 8.26 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 127.722 2.409 . . . . 0.0 110.2 171.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -95.51 139.01 32.39 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 122.021 0.915 . . . . 0.0 110.687 169.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.9 m -117.65 121.77 41.78 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 127.014 2.126 . . . . 0.0 108.532 -171.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 74.6 t-105 -79.57 135.63 36.65 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 172.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 C-N-CA 125.653 1.581 . . . . 0.0 108.716 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.127 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.4 179.6 9.01 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.811 1.245 . . . . 0.0 111.462 -169.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -117.39 137.71 52.29 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.322 0.649 . . . . 0.0 112.037 -177.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.0 m -134.59 141.44 46.64 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 126.382 1.873 . . . . 0.0 110.153 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -84.1 138.45 33.03 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.953 1.301 . . . . 0.0 112.728 -174.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -131.41 90.76 2.91 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.865 0.841 . . . . 0.0 111.529 -171.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -54.23 -29.42 46.47 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.939 1.696 . . . . 0.0 114.1 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.36 -13.03 6.83 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 170.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.8 p -130.57 -15.74 3.5 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.717 1.607 . . . . 0.0 115.112 171.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 83.6 mttt 59.66 39.88 20.64 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.016 1.726 . . . . 0.0 112.924 -173.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.0 t -143.69 -174.12 4.16 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 121.887 0.851 . . . . 0.0 109.759 174.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -96.0 151.57 19.32 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 122.376 1.084 . . . . 0.0 110.826 176.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.3 p -131.04 135.2 47.36 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 125.738 1.615 . . . . 0.0 108.977 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 71.4 t-105 -83.57 127.96 34.15 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 114.418 -1.265 . . . . 0.0 110.283 177.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.3 m -103.53 102.81 12.71 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 174.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -70.54 162.58 28.57 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 122.176 0.989 . . . . 0.0 111.827 175.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.377 0 O-C-N 120.448 -1.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.034 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -136.82 -177.96 4.97 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.777 0.799 . . . . 0.0 113.016 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -113.12 134.87 54.34 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.652 1.181 . . . . 0.0 110.704 176.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.0 p -107.61 151.17 25.98 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 127.432 2.293 . . . . 0.0 108.562 170.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.6 t-105 -94.54 139.23 31.45 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.855 0.462 . . . . 0.0 109.99 176.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -125.76 89.91 3.11 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 122.905 1.336 . . . . 0.0 109.92 -173.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -58.03 -13.2 4.22 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -88.93 -6.9 56.95 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 120.183 1.356 . . . . 0.0 113.199 176.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.8 p -131.87 5.59 4.25 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.279 1.832 . . . . 0.0 112.697 177.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt 43.42 44.86 5.12 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.89 2.076 . . . . 0.0 112.025 -178.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.91 172.7 14.27 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 124.073 0.949 . . . . 0.0 111.324 -171.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -98.6 149.29 22.93 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.929 0.891 . . . . 0.0 110.199 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.1 m -137.58 134.05 35.14 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.18 1.792 . . . . 0.0 110.092 -176.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 70.7 t-105 -84.21 139.78 32.15 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.481 1.112 . . . . 0.0 113.175 -173.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.1 t -137.82 129.41 28.19 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 122.03 0.919 . . . . 0.0 111.02 170.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -107.61 15.31 24.85 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.841 1.657 . . . . 0.0 113.398 -173.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.136 0 O-C-N 120.038 -1.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.943 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -140.92 168.91 18.67 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 123.432 0.693 . . . . 0.0 110.179 171.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -89.58 143.61 26.67 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.866 -0.521 . . . . 0.0 109.98 171.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.8 m -126.74 124.8 40.59 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 125.288 1.435 . . . . 0.0 108.407 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -69.3 149.53 48.37 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 123.286 0.634 . . . . 0.0 111.492 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -138.08 82.13 1.9 Allowed 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 122.126 0.965 . . . . 0.0 109.54 -173.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -56.8 -18.95 14.67 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.56 -20.64 64.89 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.58 1.152 . . . . 0.0 113.449 171.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.7 t -134.54 15.13 3.71 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.402 1.881 . . . . 0.0 111.556 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp 33.83 44.56 0.09 Allowed 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 128.28 2.632 . . . . 0.0 113.582 -174.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.3 m -141.12 172.04 13.24 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.0 1.32 . . . . 0.0 108.523 -174.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -98.05 146.08 25.89 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 120.803 -1.186 . . . . 0.0 110.187 173.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.7 t -124.49 160.13 28.98 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.582 1.553 . . . . 0.0 110.777 170.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -94.85 141.9 28.1 Favored 'General case' 0 CA--C 1.528 0.121 0 O-C-N 121.13 -0.982 . . . . 0.0 111.641 -173.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.84 113.79 15.71 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 126.632 1.973 . . . . 0.0 108.53 -173.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -120.65 -6.3 9.69 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 -172.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.242 0 O-C-N 119.66 -1.9 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.808 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -140.41 165.21 28.04 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.209 0.604 . . . . 0.0 110.709 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -100.11 139.62 35.51 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.659 0.783 . . . . 0.0 110.242 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.1 p -135.66 147.95 48.76 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.458 1.503 . . . . 0.0 110.216 -176.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 -88.61 147.74 24.41 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 121.732 -0.605 . . . . 0.0 111.292 -173.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -132.38 82.29 2.0 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.688 0.756 . . . . 0.0 110.613 -171.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -52.49 -29.72 26.39 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 127.787 2.435 . . . . 0.0 115.058 -178.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.34 -26.0 66.28 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.311 0.96 . . . . 0.0 112.6 172.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.3 p -116.41 -19.48 10.1 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.769 1.628 . . . . 0.0 114.574 -169.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.8 mptt 69.16 30.56 4.3 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 128.464 2.705 . . . . 0.0 113.179 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.9 t -149.35 -176.79 5.52 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.237 -0.914 . . . . 0.0 109.924 176.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -104.62 129.1 52.79 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 124.18 0.992 . . . . 0.0 110.258 -171.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.1 t -106.71 163.85 12.57 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.069 0.948 . . . . 0.0 110.075 170.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 44.6 t-105 -109.89 138.03 46.85 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.672 1.589 . . . . 0.0 108.079 -174.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.4 t -126.96 147.25 50.11 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 122.036 0.922 . . . . 0.0 110.186 177.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -121.48 149.66 42.73 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.897 1.679 . . . . 0.0 110.547 -169.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 O-C-N 120.556 -1.34 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.85 0 N-CA-C 110.806 -0.917 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -138.29 179.83 6.22 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.318 1.059 . . . . 0.0 113.142 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 99.9 m95 -102.4 140.8 36.2 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.439 -0.788 . . . . 0.0 110.561 175.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.36 128.97 32.67 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 128.697 2.799 . . . . 0.0 110.639 -173.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -74.53 144.19 44.18 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.752 1.221 . . . . 0.0 113.172 -178.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -134.17 86.27 2.26 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.568 1.547 . . . . 0.0 109.037 -170.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -63.72 -18.74 64.33 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.691 0.797 . . . . 0.0 113.003 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.51 -26.75 68.05 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 115.097 1.518 . . . . 0.0 115.097 178.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.7 t -131.73 16.55 4.79 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 125.54 1.536 . . . . 0.0 112.12 169.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.3 mttt 37.64 66.62 0.44 Allowed 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 129.091 2.957 . . . . 0.0 115.154 -173.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.3 t -146.67 178.24 8.46 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.98 0.912 . . . . 0.0 112.559 172.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -101.66 143.87 31.08 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.595 0.758 . . . . 0.0 109.971 171.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.4 m -132.92 137.71 46.71 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 127.124 2.17 . . . . 0.0 109.342 -172.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -78.94 137.15 37.48 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.542 0.737 . . . . 0.0 110.765 -177.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.1 m -119.22 121.25 39.26 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 125.592 1.557 . . . . 0.0 109.342 -178.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.47 -4.77 7.18 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 127.259 2.224 . . . . 0.0 112.157 177.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.132 0 O-C-N 120.293 -1.504 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.975 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -138.6 161.86 36.03 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 122.086 0.946 . . . . 0.0 112.463 -176.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -88.95 134.4 33.98 Favored 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 121.68 -0.637 . . . . 0.0 110.826 170.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.2 m -106.42 146.99 29.82 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 169.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -80.08 140.41 36.49 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.064 -1.023 . . . . 0.0 109.941 174.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -124.89 96.34 4.84 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 122.617 1.199 . . . . 0.0 112.209 -174.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -50.82 -30.89 15.49 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 127.379 2.272 . . . . 0.0 114.309 175.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.68 -15.23 60.33 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.7 p -126.71 5.12 6.71 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 125.655 1.582 . . . . 0.0 112.511 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt 34.79 44.92 0.13 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.231 1.812 . . . . 0.0 111.716 -169.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.6 m -146.44 173.75 12.0 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.762 1.625 . . . . 0.0 108.281 -172.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 95.7 m95 -96.26 141.8 29.17 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 176.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.4 m -130.26 146.38 51.86 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 177.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 59.7 t-105 -89.87 139.47 30.55 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 122.377 1.084 . . . . 0.0 112.029 -169.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.18 103.47 7.44 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 127.422 2.289 . . . . 0.0 107.567 -174.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -60.32 -3.5 0.65 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.556 1.942 . . . . 0.0 116.159 -169.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.198 0 O-C-N 119.418 -2.051 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.002 0 N-CA-C 111.329 -0.709 . . . . 0.0 111.329 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -136.67 159.31 42.21 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 120.999 0.428 . . . . 0.0 112.038 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -95.72 127.3 41.63 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.556 -0.715 . . . . 0.0 109.265 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.93 139.46 44.97 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.222 1.409 . . . . 0.0 110.988 -169.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -84.57 145.84 27.85 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.371 -0.831 . . . . 0.0 112.364 -175.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -140.41 93.27 2.6 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 -171.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.14 -25.82 65.8 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 128.404 2.681 . . . . 0.0 115.252 177.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.5 -12.13 29.49 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.782 1.233 . . . . 0.0 113.992 175.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.4 m -138.33 -12.77 1.38 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.117 1.767 . . . . 0.0 112.349 169.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.6 mttp 65.86 58.62 0.76 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 129.78 3.232 . . . . 0.0 112.191 -177.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.1 t -145.68 177.2 9.07 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -177.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -98.56 122.7 42.1 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.719 1.208 . . . . 0.0 109.14 169.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.9 m -115.99 148.61 39.93 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.984 1.714 . . . . 0.0 108.353 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 62.8 t-105 -92.4 138.42 31.53 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.53 -0.731 . . . . 0.0 110.369 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.8 m -123.77 90.51 3.29 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 125.631 1.572 . . . . 0.0 107.274 -175.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -70.74 -18.7 62.78 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -171.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.211 0 O-C-N 120.564 -1.335 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.404 ' HA3' ' CZ2' ' A' ' 54' ' ' TRP . . . . . . . . 0 N--CA 1.471 1.006 0 N-CA-C 111.564 -0.614 . . . . 0.0 111.564 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -139.73 166.81 23.6 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.287 1.435 . . . . 0.0 111.108 -171.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -101.02 144.22 30.22 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.4 -0.812 . . . . 0.0 111.602 173.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.6 p -139.96 166.02 25.76 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 128.134 2.573 . . . . 0.0 112.102 -178.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -98.85 143.12 29.53 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.104 1.362 . . . . 0.0 113.146 -169.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -127.6 83.46 2.16 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.879 0.847 . . . . 0.0 110.503 177.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -50.61 -31.35 15.74 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 127.95 2.5 . . . . 0.0 114.556 -177.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.7 -20.41 56.14 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.577 1.151 . . . . 0.0 113.66 171.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.1 p -117.89 -21.98 8.13 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 128.848 2.859 . . . . 0.0 112.724 -176.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm 57.1 32.02 20.98 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.247 1.419 . . . . 0.0 112.632 -169.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.7 p -120.05 168.0 11.62 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.772 2.029 . . . . 0.0 111.127 174.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -99.7 151.19 21.51 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.111 1.365 . . . . 0.0 108.928 169.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.7 m -142.71 158.69 43.39 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.961 2.104 . . . . 0.0 110.664 -171.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.404 ' CZ2' ' HA3' ' A' ' 41' ' ' GLY . 59.5 t-105 -96.35 142.4 28.52 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.073 0.949 . . . . 0.0 112.858 -177.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.4 p -140.19 161.79 36.81 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.375 1.47 . . . . 0.0 110.965 175.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.03 20.72 11.8 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -169.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.228 0 O-C-N 119.554 -1.966 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.091 0 CA-C-O 120.361 -0.133 . . . . 0.0 112.918 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -144.09 -176.77 5.14 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.902 1.681 . . . . 0.0 112.985 -169.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -114.26 152.11 31.82 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.416 1.486 . . . . 0.0 111.6 -177.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.0 p -140.36 159.0 43.17 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.77 2.028 . . . . 0.0 111.822 177.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -91.75 143.44 26.53 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.779 0.832 . . . . 0.0 110.503 171.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -133.73 101.38 5.08 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.688 0.756 . . . . 0.0 111.734 -172.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -65.28 -23.34 67.01 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -172.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.51 1.7 13.51 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 119.431 1.014 . . . . 0.0 113.464 171.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.0 p -129.17 -21.8 3.21 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.15 0.98 . . . . 0.0 113.531 169.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.0 mtmm 55.99 39.01 30.57 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.282 1.433 . . . . 0.0 111.151 -169.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.8 p -137.08 -179.51 5.76 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 126.107 1.763 . . . . 0.0 109.571 174.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -96.82 149.12 22.21 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.962 0.887 . . . . 0.0 110.203 173.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.0 m -134.49 129.57 35.37 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 126.119 1.768 . . . . 0.0 109.506 -174.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -76.96 150.6 35.89 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.365 1.066 . . . . 0.0 109.884 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.0 p -135.94 110.72 8.71 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 126.15 1.78 . . . . 0.0 107.128 -173.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -63.73 -4.63 3.24 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 -169.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 O-C-N 119.653 -1.904 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.047 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -147.25 167.6 23.82 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.766 0.826 . . . . 0.0 113.054 -176.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -97.93 129.73 44.83 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.714 1.205 . . . . 0.0 112.188 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 88.9 m -123.05 153.53 39.73 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.625 1.57 . . . . 0.0 110.15 -178.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -100.01 142.52 31.37 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.73 1.212 . . . . 0.0 112.205 -174.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -137.95 91.81 2.61 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.326 1.051 . . . . 0.0 112.435 -175.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -53.6 -35.01 60.41 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.328 1.451 . . . . 0.0 114.895 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.48 -3.76 4.86 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.863 1.211 . . . . 0.0 113.959 175.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.0 p -129.88 0.54 4.81 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.426 1.89 . . . . 0.0 112.267 170.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.2 mttt 31.75 48.3 0.09 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.412 2.285 . . . . 0.0 111.926 -168.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.0 m -140.17 169.07 18.36 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.017 1.727 . . . . 0.0 109.657 -174.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -97.37 142.79 28.8 Favored 'General case' 0 C--O 1.228 -0.06 0 C-N-CA 124.917 1.287 . . . . 0.0 109.751 170.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.6 m -129.5 136.89 50.43 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.213 1.405 . . . . 0.0 108.365 -177.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 69.3 t-105 -76.75 144.08 39.48 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 121.138 0.494 . . . . 0.0 110.969 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.68 116.84 12.58 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.429 1.492 . . . . 0.0 110.653 -169.258 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -72.81 -35.25 67.3 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 127.043 2.137 . . . . 0.0 115.042 -169.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.225 0 O-C-N 120.504 -1.372 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.984 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -153.14 156.43 38.61 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.899 0.857 . . . . 0.0 113.309 -173.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -89.5 151.43 21.99 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.909 0.884 . . . . 0.0 111.23 175.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.2 m -139.0 130.69 27.45 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 124.703 1.201 . . . . 0.0 110.368 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -76.36 146.17 38.95 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.589 1.556 . . . . 0.0 111.199 174.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -138.29 92.86 2.68 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.236 0.541 . . . . 0.0 111.922 -174.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.28 -16.75 37.04 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -177.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.81 -11.46 60.15 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 172.082 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.32 -15.51 4.1 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 125.251 1.42 . . . . 0.0 114.522 173.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp 62.25 40.82 11.11 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.445 1.898 . . . . 0.0 112.844 -177.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.9 p -139.07 167.82 21.2 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 126.734 2.014 . . . . 0.0 111.268 -177.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -101.09 146.27 27.67 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 125.314 1.445 . . . . 0.0 110.695 171.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 72.0 p -140.98 152.91 45.3 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.555 1.542 . . . . 0.0 110.489 -172.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 67.6 t-105 -98.64 141.21 31.75 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.508 1.049 . . . . 0.0 111.966 -175.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p -132.39 151.13 51.99 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.042 1.737 . . . . 0.0 111.212 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -75.63 -18.64 59.62 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.808 1.243 . . . . 0.0 113.397 -175.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 O-C-N 120.028 -1.67 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.115 0 CA-C-O 120.751 0.084 . . . . 0.0 113.107 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -137.79 -173.6 3.54 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.577 1.951 . . . . 0.0 111.808 -176.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -112.75 147.19 37.39 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.037 -1.039 . . . . 0.0 111.974 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.1 m -142.51 157.15 45.04 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 120.385 -1.447 . . . . 0.0 111.906 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -89.4 146.39 24.7 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.468 1.107 . . . . 0.0 112.997 -170.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -135.33 85.6 2.18 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.13 1.372 . . . . 0.0 111.061 -169.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -52.18 -29.21 21.27 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.735 1.614 . . . . 0.0 113.782 176.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.13 -5.32 30.76 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.502 1.121 . . . . 0.0 113.634 176.383 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.3 p -132.71 -15.92 2.66 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.558 1.543 . . . . 0.0 113.608 170.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.1 mttt 58.27 43.7 19.81 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.105 1.762 . . . . 0.0 110.908 -169.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.7 p -139.75 178.27 7.36 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.584 1.554 . . . . 0.0 111.17 178.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -99.04 136.09 39.5 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 125.515 1.526 . . . . 0.0 110.007 172.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 t -119.42 166.33 13.21 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 126.156 1.782 . . . . 0.0 110.076 173.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -93.29 143.18 26.52 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 122.17 0.986 . . . . 0.0 110.693 -175.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.9 m -120.9 95.73 4.82 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 127.97 2.508 . . . . 0.0 105.99 -172.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -54.3 -25.1 21.84 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -176.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.165 0 O-C-N 120.546 -1.347 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.137 0 N-CA-C 111.651 -0.579 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -146.89 164.49 32.74 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -170.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -89.97 148.25 23.21 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.656 0.741 . . . . 0.0 110.986 169.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.8 m -135.71 139.81 43.93 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.65 1.98 . . . . 0.0 109.017 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -84.67 131.44 34.59 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.338 0.655 . . . . 0.0 109.48 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -116.87 95.17 4.89 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.982 0.896 . . . . 0.0 111.931 -169.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -53.88 -26.6 25.67 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 126.953 2.101 . . . . 0.0 114.168 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.76 -10.08 25.02 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.585 1.154 . . . . 0.0 113.42 170.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.1 p -140.67 -18.21 0.86 Allowed 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 55.21 46.96 22.68 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 123.296 1.522 . . . . 0.0 110.816 -169.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -142.27 170.06 16.41 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 127.286 2.235 . . . . 0.0 108.589 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -96.8 139.85 32.24 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 121.583 -0.698 . . . . 0.0 110.696 172.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.8 m -136.43 156.28 48.84 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.796 1.638 . . . . 0.0 109.405 -175.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 29.7 t-105 -103.17 133.94 47.42 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 120.81 -1.181 . . . . 0.0 111.897 -173.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.7 m -117.78 116.46 27.05 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 127.127 2.171 . . . . 0.0 107.507 -177.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -77.06 54.59 1.06 Allowed 'General case' 0 CA--C 1.547 0.839 0 CA-C-O 122.477 1.132 . . . . 0.0 112.146 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 O-C-N 120.161 -1.587 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.884 0 CA-C-O 120.086 -0.285 . . . . 0.0 112.641 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -137.91 174.14 10.88 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.955 0.902 . . . . 0.0 111.68 172.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -105.86 140.58 38.67 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-O 121.653 0.739 . . . . 0.0 110.617 170.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -129.89 120.35 24.75 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 126.126 1.77 . . . . 0.0 107.597 175.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -63.46 137.3 58.09 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.296 -0.878 . . . . 0.0 111.496 175.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -123.5 85.37 2.41 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 122.571 1.177 . . . . 0.0 110.473 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -57.55 -13.0 3.14 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.007 1.323 . . . . 0.0 114.474 175.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.13 -15.23 59.28 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.215 -0.928 . . . . 0.0 111.104 169.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.56 0.43 1.65 Allowed 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.604 1.162 . . . . 0.0 113.808 177.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 54.74 28.22 9.88 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.151 1.381 . . . . 0.0 112.59 -171.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.8 p -109.83 168.87 9.1 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.653 1.181 . . . . 0.0 110.868 175.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -97.8 142.57 29.4 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 168.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.6 p -119.42 143.27 47.57 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.222 1.809 . . . . 0.0 109.871 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -97.33 126.69 42.72 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.251 0.62 . . . . 0.0 110.183 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.6 m -113.01 111.86 22.89 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.91 0.884 . . . . 0.0 109.332 -175.027 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -115.49 154.46 29.27 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.062 2.145 . . . . 0.0 110.602 175.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 O-C-N 120.113 -1.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.83 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.38 173.9 11.59 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.557 1.143 . . . . 0.0 112.298 -170.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -118.29 140.46 49.78 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 125.11 1.364 . . . . 0.0 110.856 -174.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.7 t -138.3 168.21 20.22 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.247 1.419 . . . . 0.0 110.682 169.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -89.39 148.99 23.19 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.587 1.155 . . . . 0.0 111.375 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -136.05 91.93 2.74 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.523 0.729 . . . . 0.0 111.471 -178.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -56.65 -26.87 57.26 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.264 1.426 . . . . 0.0 114.589 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.91 0.94 5.01 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 119.148 0.885 . . . . 0.0 113.221 170.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 37.6 p -134.84 -22.11 1.65 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 126.304 1.841 . . . . 0.0 114.832 172.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt 57.44 34.15 24.26 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.764 1.625 . . . . 0.0 111.051 -168.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.9 p -125.8 174.03 8.64 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 127.112 2.165 . . . . 0.0 110.943 175.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -97.66 139.7 33.16 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 169.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.6 m -129.06 141.88 51.08 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 127.11 2.164 . . . . 0.0 110.31 -169.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 54.9 t-105 -92.59 126.21 37.57 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.807 1.643 . . . . 0.0 111.507 -173.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.2 m -100.65 104.71 16.03 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 125.513 1.525 . . . . 0.0 107.638 170.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -72.16 -45.58 59.89 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -173.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 O-C-N 120.639 -1.288 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.179 0 N-CA-C 112.179 -0.369 . . . . 0.0 112.179 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -146.4 176.05 10.08 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.987 1.715 . . . . 0.0 112.6 -174.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -114.7 127.14 55.59 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.002 -1.061 . . . . 0.0 112.91 -177.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 60.7 p -113.76 165.21 12.77 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.743 2.017 . . . . 0.0 111.396 175.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 61.5 t-105 -102.25 133.6 46.89 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.587 1.155 . . . . 0.0 110.235 173.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -117.7 82.36 1.81 Allowed 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 122.712 1.244 . . . . 0.0 110.818 -171.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -46.83 -42.36 17.1 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 127.109 2.163 . . . . 0.0 114.794 -175.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.72 -5.7 9.4 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.2 p -127.16 -17.31 4.82 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 128.107 2.563 . . . . 0.0 113.254 176.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? 51.19 54.17 11.65 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.566 2.346 . . . . 0.0 112.766 -172.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.4 t -147.43 177.57 9.13 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 123.948 0.899 . . . . 0.0 109.486 176.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -97.66 139.26 33.81 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 176.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.6 m -133.89 122.81 23.69 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.347 1.459 . . . . 0.0 110.184 -171.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -73.39 141.68 46.98 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 126.49 1.916 . . . . 0.0 112.356 177.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.0 t -140.7 151.44 44.54 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 122.52 0.328 . . . . 0.0 111.359 171.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -115.25 -1.2 12.99 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.194 1.398 . . . . 0.0 112.457 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.251 0 O-C-N 120.804 -1.185 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.111 0 CA-C-O 121.291 0.384 . . . . 0.0 112.589 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.19 163.78 34.32 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.001 0.921 . . . . 0.0 111.987 -174.165 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -100.14 139.47 35.77 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.339 0.656 . . . . 0.0 109.686 169.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.8 t -138.56 164.58 29.08 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.506 1.523 . . . . 0.0 110.968 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -79.72 148.8 31.39 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.511 0.725 . . . . 0.0 110.823 172.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -139.05 96.67 3.15 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.488 0.661 . . . . 0.0 111.364 173.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -55.68 -19.41 10.65 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.652 1.352 . . . . 0.0 114.652 177.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.94 -11.94 60.02 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 173.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 m -119.84 -12.76 9.15 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.825 1.65 . . . . 0.0 111.058 171.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.1 mttm 49.88 48.97 21.04 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 127.288 2.235 . . . . 0.0 110.727 -172.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 99.7 m -151.38 172.55 15.75 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.629 1.172 . . . . 0.0 109.814 -177.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -100.01 114.08 27.13 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.68 1.592 . . . . 0.0 109.903 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.7 t -117.3 160.94 20.31 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.031 1.733 . . . . 0.0 112.385 -170.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 68.3 t-105 -99.88 139.06 36.09 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.595 1.558 . . . . 0.0 110.645 -170.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.9 m -129.79 126.61 38.53 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.332 1.053 . . . . 0.0 109.812 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.53 168.67 19.59 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.949 2.1 . . . . 0.0 109.54 -176.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 O-C-N 120.439 -1.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.016 0 CA-C-O 119.571 -0.572 . . . . 0.0 111.916 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -122.76 166.43 14.95 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 117.767 0.783 . . . . 0.0 111.23 170.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -93.01 125.17 37.47 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 169.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.3 m -109.74 163.42 13.52 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 127.857 2.463 . . . . 0.0 109.855 174.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -101.38 116.24 32.33 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.703 1.201 . . . . 0.0 112.425 -169.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -100.98 86.46 3.06 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 123.662 1.696 . . . . 0.0 110.083 177.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -59.24 -14.47 11.08 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.981 1.713 . . . . 0.0 114.226 170.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.49 -25.07 65.78 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 119.018 0.826 . . . . 0.0 112.989 171.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.2 p -136.61 -5.71 1.98 Allowed 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 174.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.4 mptt 69.81 56.59 0.33 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 128.102 2.561 . . . . 0.0 112.064 -177.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.9 t -139.64 174.0 10.96 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 125.186 1.394 . . . . 0.0 110.39 178.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -98.3 147.56 24.53 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 169.047 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.7 t -134.58 153.45 51.95 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.675 2.39 . . . . 0.0 109.773 179.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -88.92 146.01 25.18 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.089 -1.007 . . . . 0.0 111.898 -174.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.1 m -125.66 101.66 6.99 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 127.504 2.321 . . . . 0.0 108.606 -170.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -138.13 177.01 8.2 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.139 1.776 . . . . 0.0 111.42 176.314 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 O-C-N 120.589 -1.319 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.0 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -138.47 170.61 15.71 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.278 1.431 . . . . 0.0 112.383 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -97.63 136.21 38.34 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.505 0.722 . . . . 0.0 110.137 169.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.0 p -127.15 154.79 44.33 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 127.863 2.465 . . . . 0.0 110.036 -176.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -95.62 137.75 34.25 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.261 -0.9 . . . . 0.0 111.496 177.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -125.15 83.6 2.18 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.123 1.369 . . . . 0.0 111.488 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -49.62 -40.82 40.49 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.164 2.186 . . . . 0.0 115.382 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.21 -22.64 18.56 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 175.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 51.2 p -123.17 5.1 9.21 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 128.215 2.606 . . . . 0.0 111.867 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt 34.63 47.87 0.26 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 127.961 2.504 . . . . 0.0 113.874 -169.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.99 173.79 11.19 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 178.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -97.74 131.51 44.2 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.371 1.068 . . . . 0.0 110.174 176.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.7 p -119.82 161.81 20.16 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 127.761 2.425 . . . . 0.0 110.972 -173.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -108.46 138.89 44.02 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.457 0.703 . . . . 0.0 109.677 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.3 m -141.05 123.64 16.0 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.343 0.657 . . . . 0.0 111.096 -169.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.08 -63.52 0.81 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.859 1.664 . . . . 0.0 110.34 -171.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.203 0 O-C-N 121.393 -0.817 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.05 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -149.66 166.42 29.37 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.025 1.33 . . . . 0.0 111.226 -170.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -94.95 140.77 29.48 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 122.008 -0.432 . . . . 0.0 109.95 169.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 t -131.4 146.43 52.26 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 123.873 0.869 . . . . 0.0 108.831 169.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -81.06 140.57 35.03 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 175.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -129.56 83.73 2.16 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 123.23 1.491 . . . . 0.0 107.645 -169.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.98 -16.94 34.54 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 126.7 2.0 . . . . 0.0 113.57 -178.101 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.99 -6.95 53.37 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.247 1.419 . . . . 0.0 113.214 173.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -137.0 -10.91 1.74 Allowed 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.333 1.453 . . . . 0.0 112.976 169.345 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.4 mttm 59.15 44.59 15.63 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.732 2.013 . . . . 0.0 112.215 -178.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.4 p -134.77 176.86 8.26 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 127.722 2.409 . . . . 0.0 110.2 171.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -95.51 139.01 32.39 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 122.021 0.915 . . . . 0.0 110.687 169.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.9 m -117.65 121.77 41.78 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 127.014 2.126 . . . . 0.0 108.532 -171.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 74.6 t-105 -79.57 135.63 36.65 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 172.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -127.2 106.67 9.4 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 125.653 1.581 . . . . 0.0 108.716 -179.541 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.26 166.2 22.42 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.522 0.729 . . . . 0.0 110.799 169.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 121.399 -0.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.621 0 CA-C-O 120.856 0.36 . . . . 0.0 111.462 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -117.39 137.71 52.29 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.322 0.649 . . . . 0.0 112.037 -177.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.0 m -134.59 141.44 46.64 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 126.382 1.873 . . . . 0.0 110.153 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -84.1 138.45 33.03 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.953 1.301 . . . . 0.0 112.728 -174.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -131.41 90.76 2.91 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.865 0.841 . . . . 0.0 111.529 -171.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -54.23 -29.42 46.47 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.939 1.696 . . . . 0.0 114.1 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.36 -13.03 6.83 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 170.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.8 p -130.57 -15.74 3.5 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.717 1.607 . . . . 0.0 115.112 171.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 83.6 mttt 59.66 39.88 20.64 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.016 1.726 . . . . 0.0 112.924 -173.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.0 t -143.69 -174.12 4.16 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 121.887 0.851 . . . . 0.0 109.759 174.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -96.0 151.57 19.32 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 122.376 1.084 . . . . 0.0 110.826 176.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.3 p -131.04 135.2 47.36 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 125.738 1.615 . . . . 0.0 108.977 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 71.4 t-105 -83.57 127.96 34.15 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 114.418 -1.265 . . . . 0.0 110.283 177.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.3 m . . . . . 0 C--O 1.234 0.264 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 174.943 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.539 0.531 0 CA-C-O 121.777 0.799 . . . . 0.0 113.016 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -113.12 134.87 54.34 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.652 1.181 . . . . 0.0 110.704 176.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.0 p -107.61 151.17 25.98 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 127.432 2.293 . . . . 0.0 108.562 170.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.6 t-105 -94.54 139.23 31.45 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.855 0.462 . . . . 0.0 109.99 176.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -125.76 89.91 3.11 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 122.905 1.336 . . . . 0.0 109.92 -173.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -58.03 -13.2 4.22 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -88.93 -6.9 56.95 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 120.183 1.356 . . . . 0.0 113.199 176.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.8 p -131.87 5.59 4.25 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.279 1.832 . . . . 0.0 112.697 177.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt 43.42 44.86 5.12 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.89 2.076 . . . . 0.0 112.025 -178.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.91 172.7 14.27 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 124.073 0.949 . . . . 0.0 111.324 -171.295 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -98.6 149.29 22.93 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.929 0.891 . . . . 0.0 110.199 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.1 m -137.58 134.05 35.14 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.18 1.792 . . . . 0.0 110.092 -176.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 70.7 t-105 -84.21 139.78 32.15 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.481 1.112 . . . . 0.0 113.175 -173.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.1 t . . . . . 0 N--CA 1.465 0.312 0 CA-C-O 122.03 0.919 . . . . 0.0 111.02 170.123 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 . . . . . 0 C--O 1.237 0.401 0 CA-C-O 121.458 0.646 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -89.58 143.61 26.67 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.866 -0.521 . . . . 0.0 109.98 171.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.8 m -126.74 124.8 40.59 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 125.288 1.435 . . . . 0.0 108.407 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -69.3 149.53 48.37 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 123.286 0.634 . . . . 0.0 111.492 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -138.08 82.13 1.9 Allowed 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 122.126 0.965 . . . . 0.0 109.54 -173.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -56.8 -18.95 14.67 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.56 -20.64 64.89 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.58 1.152 . . . . 0.0 113.449 171.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.7 t -134.54 15.13 3.71 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.402 1.881 . . . . 0.0 111.556 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp 33.83 44.56 0.09 Allowed 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 128.28 2.632 . . . . 0.0 113.582 -174.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.3 m -141.12 172.04 13.24 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.0 1.32 . . . . 0.0 108.523 -174.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -98.05 146.08 25.89 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 120.803 -1.186 . . . . 0.0 110.187 173.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.7 t -124.49 160.13 28.98 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.582 1.553 . . . . 0.0 110.777 170.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -94.85 141.9 28.1 Favored 'General case' 0 CA--C 1.528 0.121 0 O-C-N 121.13 -0.982 . . . . 0.0 111.641 -173.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.467 0.403 0 C-N-CA 126.632 1.973 . . . . 0.0 108.53 -173.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 . . . . . 0 CA--C 1.538 0.505 0 CA-C-O 120.819 0.342 . . . . 0.0 110.709 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -100.11 139.62 35.51 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.659 0.783 . . . . 0.0 110.242 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.1 p -135.66 147.95 48.76 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.458 1.503 . . . . 0.0 110.216 -176.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 -88.61 147.74 24.41 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 121.732 -0.605 . . . . 0.0 111.292 -173.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -132.38 82.29 2.0 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.688 0.756 . . . . 0.0 110.613 -171.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -52.49 -29.72 26.39 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 127.787 2.435 . . . . 0.0 115.058 -178.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.34 -26.0 66.28 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.311 0.96 . . . . 0.0 112.6 172.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.3 p -116.41 -19.48 10.1 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.769 1.628 . . . . 0.0 114.574 -169.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.8 mptt 69.16 30.56 4.3 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 128.464 2.705 . . . . 0.0 113.179 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.9 t -149.35 -176.79 5.52 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.237 -0.914 . . . . 0.0 109.924 176.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -104.62 129.1 52.79 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 124.18 0.992 . . . . 0.0 110.258 -171.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.1 t -106.71 163.85 12.57 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.069 0.948 . . . . 0.0 110.075 170.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 44.6 t-105 -109.89 138.03 46.85 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.672 1.589 . . . . 0.0 108.079 -174.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.4 t . . . . . 0 N--CA 1.472 0.636 0 CA-C-O 122.036 0.922 . . . . 0.0 110.186 177.46 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.538 0.503 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 99.9 m95 -102.4 140.8 36.2 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.439 -0.788 . . . . 0.0 110.561 175.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.36 128.97 32.67 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 128.697 2.799 . . . . 0.0 110.639 -173.687 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -74.53 144.19 44.18 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.752 1.221 . . . . 0.0 113.172 -178.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -134.17 86.27 2.26 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.568 1.547 . . . . 0.0 109.037 -170.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -63.72 -18.74 64.33 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.691 0.797 . . . . 0.0 113.003 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.51 -26.75 68.05 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 115.097 1.518 . . . . 0.0 115.097 178.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.7 t -131.73 16.55 4.79 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 125.54 1.536 . . . . 0.0 112.12 169.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.3 mttt 37.64 66.62 0.44 Allowed 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 129.091 2.957 . . . . 0.0 115.154 -173.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.3 t -146.67 178.24 8.46 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.98 0.912 . . . . 0.0 112.559 172.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -101.66 143.87 31.08 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.595 0.758 . . . . 0.0 109.971 171.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.4 m -132.92 137.71 46.71 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 127.124 2.17 . . . . 0.0 109.342 -172.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -78.94 137.15 37.48 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.542 0.737 . . . . 0.0 110.765 -177.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.1 m . . . . . 0 CA--C 1.521 -0.167 0 C-N-CA 125.592 1.557 . . . . 0.0 109.342 -178.195 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 . . . . . 0 C--O 1.238 0.454 0 CA-C-O 122.086 0.946 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -88.95 134.4 33.98 Favored 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 121.68 -0.637 . . . . 0.0 110.826 170.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.2 m -106.42 146.99 29.82 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 169.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -80.08 140.41 36.49 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.064 -1.023 . . . . 0.0 109.941 174.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -124.89 96.34 4.84 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 122.617 1.199 . . . . 0.0 112.209 -174.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -50.82 -30.89 15.49 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 127.379 2.272 . . . . 0.0 114.309 175.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.68 -15.23 60.33 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.7 p -126.71 5.12 6.71 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 125.655 1.582 . . . . 0.0 112.511 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt 34.79 44.92 0.13 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.231 1.812 . . . . 0.0 111.716 -169.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.439 HG22 ' H ' ' A' ' 52' ' ' TRP . 21.6 m -146.44 173.75 12.0 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.762 1.625 . . . . 0.0 108.281 -172.408 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TRP . . . . . 0.439 ' H ' HG22 ' A' ' 51' ' ' THR . 95.7 m95 -96.26 141.8 29.17 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 176.412 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.4 m -130.26 146.38 51.86 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 177.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 59.7 t-105 -89.87 139.47 30.55 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 122.377 1.084 . . . . 0.0 112.029 -169.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.38 0 C-N-CA 127.422 2.289 . . . . 0.0 107.567 -174.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? . . . . . 0 CA--C 1.54 0.593 0 CA-C-O 120.999 0.428 . . . . 0.0 112.038 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -95.72 127.3 41.63 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.556 -0.715 . . . . 0.0 109.265 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.93 139.46 44.97 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.222 1.409 . . . . 0.0 110.988 -169.086 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -84.57 145.84 27.85 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.371 -0.831 . . . . 0.0 112.364 -175.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -140.41 93.27 2.6 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 -171.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.14 -25.82 65.8 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 128.404 2.681 . . . . 0.0 115.252 177.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.5 -12.13 29.49 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.782 1.233 . . . . 0.0 113.992 175.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.4 m -138.33 -12.77 1.38 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.117 1.767 . . . . 0.0 112.349 169.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.6 mttp 65.86 58.62 0.76 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 129.78 3.232 . . . . 0.0 112.191 -177.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.1 t -145.68 177.2 9.07 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -177.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -98.56 122.7 42.1 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.719 1.208 . . . . 0.0 109.14 169.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.9 m -115.99 148.61 39.93 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.984 1.714 . . . . 0.0 108.353 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 62.8 t-105 -92.4 138.42 31.53 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.53 -0.731 . . . . 0.0 110.369 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.8 m . . . . . 0 C--N 1.331 -0.226 0 C-N-CA 125.631 1.572 . . . . 0.0 107.274 -175.05 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 . . . . . 0 CA--C 1.548 0.883 0 CA-C-O 119.896 -0.097 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -101.02 144.22 30.22 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.4 -0.812 . . . . 0.0 111.602 173.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.6 p -139.96 166.02 25.76 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 128.134 2.573 . . . . 0.0 112.102 -178.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -98.85 143.12 29.53 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.104 1.362 . . . . 0.0 113.146 -169.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -127.6 83.46 2.16 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.879 0.847 . . . . 0.0 110.503 177.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -50.61 -31.35 15.74 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 127.95 2.5 . . . . 0.0 114.556 -177.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.7 -20.41 56.14 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.577 1.151 . . . . 0.0 113.66 171.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.1 p -117.89 -21.98 8.13 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 128.848 2.859 . . . . 0.0 112.724 -176.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm 57.1 32.02 20.98 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.247 1.419 . . . . 0.0 112.632 -169.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.7 p -120.05 168.0 11.62 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.772 2.029 . . . . 0.0 111.127 174.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -99.7 151.19 21.51 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.111 1.365 . . . . 0.0 108.928 169.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.7 m -142.71 158.69 43.39 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.961 2.104 . . . . 0.0 110.664 -171.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 59.5 t-105 -96.35 142.4 28.52 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.073 0.949 . . . . 0.0 112.858 -177.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.4 p . . . . . 0 N--CA 1.476 0.835 0 C-N-CA 125.375 1.47 . . . . 0.0 110.965 175.599 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.551 0.984 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -114.26 152.11 31.82 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.416 1.486 . . . . 0.0 111.6 -177.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.0 p -140.36 159.0 43.17 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.77 2.028 . . . . 0.0 111.822 177.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -91.75 143.44 26.53 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.779 0.832 . . . . 0.0 110.503 171.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -133.73 101.38 5.08 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.688 0.756 . . . . 0.0 111.734 -172.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -65.28 -23.34 67.01 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -172.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.51 1.7 13.51 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 119.431 1.014 . . . . 0.0 113.464 171.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.0 p -129.17 -21.8 3.21 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.15 0.98 . . . . 0.0 113.531 169.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.0 mtmm 55.99 39.01 30.57 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.282 1.433 . . . . 0.0 111.151 -169.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.8 p -137.08 -179.51 5.76 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 126.107 1.763 . . . . 0.0 109.571 174.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -96.82 149.12 22.21 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.962 0.887 . . . . 0.0 110.203 173.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.0 m -134.49 129.57 35.37 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 126.119 1.768 . . . . 0.0 109.506 -174.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -76.96 150.6 35.89 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.365 1.066 . . . . 0.0 109.884 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.0 p . . . . . 0 C--N 1.325 -0.478 0 C-N-CA 126.15 1.78 . . . . 0.0 107.128 -173.601 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 CA--C 1.543 0.705 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -97.93 129.73 44.83 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.714 1.205 . . . . 0.0 112.188 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 88.9 m -123.05 153.53 39.73 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.625 1.57 . . . . 0.0 110.15 -178.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -100.01 142.52 31.37 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.73 1.212 . . . . 0.0 112.205 -174.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -137.95 91.81 2.61 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.326 1.051 . . . . 0.0 112.435 -175.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -53.6 -35.01 60.41 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.328 1.451 . . . . 0.0 114.895 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.48 -3.76 4.86 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.863 1.211 . . . . 0.0 113.959 175.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.0 p -129.88 0.54 4.81 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.426 1.89 . . . . 0.0 112.267 170.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.2 mttt 31.75 48.3 0.09 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.412 2.285 . . . . 0.0 111.926 -168.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.0 m -140.17 169.07 18.36 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.017 1.727 . . . . 0.0 109.657 -174.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -97.37 142.79 28.8 Favored 'General case' 0 C--O 1.228 -0.06 0 C-N-CA 124.917 1.287 . . . . 0.0 109.751 170.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.6 m -129.5 136.89 50.43 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.213 1.405 . . . . 0.0 108.365 -177.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 69.3 t-105 -76.75 144.08 39.48 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 121.138 0.494 . . . . 0.0 110.969 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.537 0.471 0 C-N-CA 125.429 1.492 . . . . 0.0 110.653 -169.258 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 CA--C 1.539 0.524 0 CA-C-O 121.899 0.857 . . . . 0.0 113.309 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -89.5 151.43 21.99 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.909 0.884 . . . . 0.0 111.23 175.606 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.2 m -139.0 130.69 27.45 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 124.703 1.201 . . . . 0.0 110.368 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -76.36 146.17 38.95 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.589 1.556 . . . . 0.0 111.199 174.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -138.29 92.86 2.68 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.236 0.541 . . . . 0.0 111.922 -174.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.28 -16.75 37.04 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -177.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.81 -11.46 60.15 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 172.082 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.32 -15.51 4.1 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 125.251 1.42 . . . . 0.0 114.522 173.392 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp 62.25 40.82 11.11 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.445 1.898 . . . . 0.0 112.844 -177.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.9 p -139.07 167.82 21.2 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 126.734 2.014 . . . . 0.0 111.268 -177.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -101.09 146.27 27.67 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 125.314 1.445 . . . . 0.0 110.695 171.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 72.0 p -140.98 152.91 45.3 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.555 1.542 . . . . 0.0 110.489 -172.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 67.6 t-105 -98.64 141.21 31.75 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.508 1.049 . . . . 0.0 111.966 -175.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p . . . . . 0 N--CA 1.471 0.607 0 C-N-CA 126.042 1.737 . . . . 0.0 111.212 178.73 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 . . . . . 0 CA--C 1.547 0.837 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -112.75 147.19 37.39 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.037 -1.039 . . . . 0.0 111.974 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.1 m -142.51 157.15 45.04 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 120.385 -1.447 . . . . 0.0 111.906 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -89.4 146.39 24.7 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.468 1.107 . . . . 0.0 112.997 -170.746 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -135.33 85.6 2.18 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.13 1.372 . . . . 0.0 111.061 -169.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -52.18 -29.21 21.27 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.735 1.614 . . . . 0.0 113.782 176.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.13 -5.32 30.76 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.502 1.121 . . . . 0.0 113.634 176.383 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.3 p -132.71 -15.92 2.66 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.558 1.543 . . . . 0.0 113.608 170.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.1 mttt 58.27 43.7 19.81 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.105 1.762 . . . . 0.0 110.908 -169.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.7 p -139.75 178.27 7.36 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.584 1.554 . . . . 0.0 111.17 178.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -99.04 136.09 39.5 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 125.515 1.526 . . . . 0.0 110.007 172.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 t -119.42 166.33 13.21 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 126.156 1.782 . . . . 0.0 110.076 173.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -93.29 143.18 26.52 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 122.17 0.986 . . . . 0.0 110.693 -175.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.9 m . . . . . 0 CA--C 1.518 -0.264 0 C-N-CA 127.97 2.508 . . . . 0.0 105.99 -172.647 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 . . . . . 0 CA--C 1.542 0.663 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -89.97 148.25 23.21 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.656 0.741 . . . . 0.0 110.986 169.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.8 m -135.71 139.81 43.93 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.65 1.98 . . . . 0.0 109.017 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -84.67 131.44 34.59 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.338 0.655 . . . . 0.0 109.48 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -116.87 95.17 4.89 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.982 0.896 . . . . 0.0 111.931 -169.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -53.88 -26.6 25.67 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 126.953 2.101 . . . . 0.0 114.168 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.76 -10.08 25.02 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.585 1.154 . . . . 0.0 113.42 170.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.1 p -140.67 -18.21 0.86 Allowed 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 55.21 46.96 22.68 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 123.296 1.522 . . . . 0.0 110.816 -169.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -142.27 170.06 16.41 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 127.286 2.235 . . . . 0.0 108.589 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -96.8 139.85 32.24 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 121.583 -0.698 . . . . 0.0 110.696 172.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.8 m -136.43 156.28 48.84 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.796 1.638 . . . . 0.0 109.405 -175.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 29.7 t-105 -103.17 133.94 47.42 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 120.81 -1.181 . . . . 0.0 111.897 -173.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.7 m . . . . . 0 C--O 1.234 0.254 0 C-N-CA 127.127 2.171 . . . . 0.0 107.507 -177.584 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 CA--C 1.535 0.376 0 CA-C-O 120.996 0.427 . . . . 0.0 111.68 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -105.86 140.58 38.67 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-O 121.653 0.739 . . . . 0.0 110.617 170.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -129.89 120.35 24.75 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 126.126 1.77 . . . . 0.0 107.597 175.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -63.46 137.3 58.09 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.296 -0.878 . . . . 0.0 111.496 175.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -123.5 85.37 2.41 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 122.571 1.177 . . . . 0.0 110.473 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -57.55 -13.0 3.14 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.007 1.323 . . . . 0.0 114.474 175.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.13 -15.23 59.28 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.215 -0.928 . . . . 0.0 111.104 169.066 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.56 0.43 1.65 Allowed 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.604 1.162 . . . . 0.0 113.808 177.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 54.74 28.22 9.88 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.151 1.381 . . . . 0.0 112.59 -171.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.8 p -109.83 168.87 9.1 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.653 1.181 . . . . 0.0 110.868 175.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -97.8 142.57 29.4 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 168.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.6 p -119.42 143.27 47.57 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.222 1.809 . . . . 0.0 109.871 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -97.33 126.69 42.72 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.251 0.62 . . . . 0.0 110.183 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.6 m . . . . . 0 N--CA 1.468 0.458 0 C-N-CA 123.91 0.884 . . . . 0.0 109.332 -175.027 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.33 0 CA-C-O 121.307 0.575 . . . . 0.0 112.298 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -118.29 140.46 49.78 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 125.11 1.364 . . . . 0.0 110.856 -174.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.7 t -138.3 168.21 20.22 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.247 1.419 . . . . 0.0 110.682 169.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -89.39 148.99 23.19 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.587 1.155 . . . . 0.0 111.375 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -136.05 91.93 2.74 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.523 0.729 . . . . 0.0 111.471 -178.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -56.65 -26.87 57.26 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.264 1.426 . . . . 0.0 114.589 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.91 0.94 5.01 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 119.148 0.885 . . . . 0.0 113.221 170.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 37.6 p -134.84 -22.11 1.65 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 126.304 1.841 . . . . 0.0 114.832 172.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt 57.44 34.15 24.26 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.764 1.625 . . . . 0.0 111.051 -168.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.9 p -125.8 174.03 8.64 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 127.112 2.165 . . . . 0.0 110.943 175.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -97.66 139.7 33.16 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 169.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.6 m -129.06 141.88 51.08 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 127.11 2.164 . . . . 0.0 110.31 -169.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 54.9 t-105 -92.59 126.21 37.57 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.807 1.643 . . . . 0.0 111.507 -173.256 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.2 m . . . . . 0 N--CA 1.465 0.302 0 C-N-CA 125.513 1.525 . . . . 0.0 107.638 170.308 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 . . . . . 0 CA--C 1.551 1.01 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -114.7 127.14 55.59 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.002 -1.061 . . . . 0.0 112.91 -177.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 60.7 p -113.76 165.21 12.77 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.743 2.017 . . . . 0.0 111.396 175.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 61.5 t-105 -102.25 133.6 46.89 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.587 1.155 . . . . 0.0 110.235 173.426 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -117.7 82.36 1.81 Allowed 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 122.712 1.244 . . . . 0.0 110.818 -171.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -46.83 -42.36 17.1 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 127.109 2.163 . . . . 0.0 114.794 -175.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.72 -5.7 9.4 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.2 p -127.16 -17.31 4.82 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 128.107 2.563 . . . . 0.0 113.254 176.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? 51.19 54.17 11.65 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.566 2.346 . . . . 0.0 112.766 -172.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.4 t -147.43 177.57 9.13 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 123.948 0.899 . . . . 0.0 109.486 176.727 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -97.66 139.26 33.81 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 176.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.6 m -133.89 122.81 23.69 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.347 1.459 . . . . 0.0 110.184 -171.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -73.39 141.68 46.98 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 126.49 1.916 . . . . 0.0 112.356 177.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.464 0.238 0 C-N-CA 122.52 0.328 . . . . 0.0 111.359 171.225 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.536 0.43 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -100.14 139.47 35.77 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.339 0.656 . . . . 0.0 109.686 169.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.8 t -138.56 164.58 29.08 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.506 1.523 . . . . 0.0 110.968 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -79.72 148.8 31.39 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.511 0.725 . . . . 0.0 110.823 172.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -139.05 96.67 3.15 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.488 0.661 . . . . 0.0 111.364 173.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -55.68 -19.41 10.65 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.652 1.352 . . . . 0.0 114.652 177.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.94 -11.94 60.02 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 173.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 m -119.84 -12.76 9.15 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.825 1.65 . . . . 0.0 111.058 171.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.1 mttm 49.88 48.97 21.04 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 127.288 2.235 . . . . 0.0 110.727 -172.149 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 99.7 m -151.38 172.55 15.75 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.629 1.172 . . . . 0.0 109.814 -177.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -100.01 114.08 27.13 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.68 1.592 . . . . 0.0 109.903 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.7 t -117.3 160.94 20.31 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.031 1.733 . . . . 0.0 112.385 -170.713 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 68.3 t-105 -99.88 139.06 36.09 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.595 1.558 . . . . 0.0 110.645 -170.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.9 m . . . . . 0 N--CA 1.469 0.505 0 C-N-CA 124.332 1.053 . . . . 0.0 109.812 179.816 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 . . . . . 0 N--CA 1.465 0.306 0 CA-C-O 120.965 0.412 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -93.01 125.17 37.47 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 169.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.3 m -109.74 163.42 13.52 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 127.857 2.463 . . . . 0.0 109.855 174.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -101.38 116.24 32.33 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.703 1.201 . . . . 0.0 112.425 -169.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -100.98 86.46 3.06 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 123.662 1.696 . . . . 0.0 110.083 177.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -59.24 -14.47 11.08 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.981 1.713 . . . . 0.0 114.226 170.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.49 -25.07 65.78 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 119.018 0.826 . . . . 0.0 112.989 171.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.2 p -136.61 -5.71 1.98 Allowed 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 174.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.4 mptt 69.81 56.59 0.33 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 128.102 2.561 . . . . 0.0 112.064 -177.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.9 t -139.64 174.0 10.96 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 125.186 1.394 . . . . 0.0 110.39 178.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -98.3 147.56 24.53 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 169.047 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.7 t -134.58 153.45 51.95 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.675 2.39 . . . . 0.0 109.773 179.136 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -88.92 146.01 25.18 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.089 -1.007 . . . . 0.0 111.898 -174.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.1 m . . . . . 0 N--CA 1.467 0.409 0 C-N-CA 127.504 2.321 . . . . 0.0 108.606 -170.207 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 . . . . . 0 CA--C 1.538 0.501 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -97.63 136.21 38.34 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.505 0.722 . . . . 0.0 110.137 169.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.0 p -127.15 154.79 44.33 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 127.863 2.465 . . . . 0.0 110.036 -176.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -95.62 137.75 34.25 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.261 -0.9 . . . . 0.0 111.496 177.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -125.15 83.6 2.18 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.123 1.369 . . . . 0.0 111.488 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -49.62 -40.82 40.49 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.164 2.186 . . . . 0.0 115.382 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.21 -22.64 18.56 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 175.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 51.2 p -123.17 5.1 9.21 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 128.215 2.606 . . . . 0.0 111.867 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt 34.63 47.87 0.26 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 127.961 2.504 . . . . 0.0 113.874 -169.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.99 173.79 11.19 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 178.685 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -97.74 131.51 44.2 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.371 1.068 . . . . 0.0 110.174 176.587 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.7 p -119.82 161.81 20.16 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 127.761 2.425 . . . . 0.0 110.972 -173.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -108.46 138.89 44.02 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.457 0.703 . . . . 0.0 109.677 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.3 m . . . . . 0 CA--C 1.533 0.321 0 C-N-CA 123.343 0.657 . . . . 0.0 111.096 -169.646 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 . . . . . 0 CA--C 1.54 0.573 0 N-CA-C 111.226 0.084 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -94.95 140.77 29.48 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 122.008 -0.432 . . . . 0.0 109.95 169.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 t -131.4 146.43 52.26 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 123.873 0.869 . . . . 0.0 108.831 169.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -81.06 140.57 35.03 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 175.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -129.56 83.73 2.16 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 123.23 1.491 . . . . 0.0 107.645 -169.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.98 -16.94 34.54 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 126.7 2.0 . . . . 0.0 113.57 -178.101 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.99 -6.95 53.37 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.247 1.419 . . . . 0.0 113.214 173.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -137.0 -10.91 1.74 Allowed 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.333 1.453 . . . . 0.0 112.976 169.345 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.4 mttm 59.15 44.59 15.63 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.732 2.013 . . . . 0.0 112.215 -178.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.4 p -134.77 176.86 8.26 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 127.722 2.409 . . . . 0.0 110.2 171.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -95.51 139.01 32.39 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 122.021 0.915 . . . . 0.0 110.687 169.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.9 m -117.65 121.77 41.78 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 127.014 2.126 . . . . 0.0 108.532 -171.113 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 74.6 t-105 -79.57 135.63 36.65 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 172.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 C-N-CA 125.653 1.581 . . . . 0.0 108.716 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.127 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.4 179.6 9.01 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.811 1.245 . . . . 0.0 111.462 -169.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -117.39 137.71 52.29 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.322 0.649 . . . . 0.0 112.037 -177.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.0 m -134.59 141.44 46.64 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 126.382 1.873 . . . . 0.0 110.153 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -84.1 138.45 33.03 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.953 1.301 . . . . 0.0 112.728 -174.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -131.41 90.76 2.91 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.865 0.841 . . . . 0.0 111.529 -171.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -54.23 -29.42 46.47 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.939 1.696 . . . . 0.0 114.1 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.36 -13.03 6.83 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 170.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.8 p -130.57 -15.74 3.5 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.717 1.607 . . . . 0.0 115.112 171.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 83.6 mttt 59.66 39.88 20.64 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.016 1.726 . . . . 0.0 112.924 -173.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.0 t -143.69 -174.12 4.16 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 121.887 0.851 . . . . 0.0 109.759 174.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -96.0 151.57 19.32 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 122.376 1.084 . . . . 0.0 110.826 176.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.3 p -131.04 135.2 47.36 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 125.738 1.615 . . . . 0.0 108.977 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 71.4 t-105 -83.57 127.96 34.15 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 114.418 -1.265 . . . . 0.0 110.283 177.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.3 m -103.53 102.81 12.71 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 174.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -70.54 162.58 28.57 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 122.176 0.989 . . . . 0.0 111.827 175.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.377 0 O-C-N 120.448 -1.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.034 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -136.82 -177.96 4.97 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.777 0.799 . . . . 0.0 113.016 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -113.12 134.87 54.34 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.652 1.181 . . . . 0.0 110.704 176.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.0 p -107.61 151.17 25.98 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 127.432 2.293 . . . . 0.0 108.562 170.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.6 t-105 -94.54 139.23 31.45 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.855 0.462 . . . . 0.0 109.99 176.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -125.76 89.91 3.11 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 122.905 1.336 . . . . 0.0 109.92 -173.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -58.03 -13.2 4.22 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -88.93 -6.9 56.95 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 120.183 1.356 . . . . 0.0 113.199 176.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.8 p -131.87 5.59 4.25 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.279 1.832 . . . . 0.0 112.697 177.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt 43.42 44.86 5.12 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.89 2.076 . . . . 0.0 112.025 -178.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.91 172.7 14.27 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 124.073 0.949 . . . . 0.0 111.324 -171.295 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -98.6 149.29 22.93 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.929 0.891 . . . . 0.0 110.199 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.1 m -137.58 134.05 35.14 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.18 1.792 . . . . 0.0 110.092 -176.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 70.7 t-105 -84.21 139.78 32.15 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.481 1.112 . . . . 0.0 113.175 -173.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.1 t -137.82 129.41 28.19 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 122.03 0.919 . . . . 0.0 111.02 170.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -107.61 15.31 24.85 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.841 1.657 . . . . 0.0 113.398 -173.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.136 0 O-C-N 120.038 -1.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.943 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -140.92 168.91 18.67 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 123.432 0.693 . . . . 0.0 110.179 171.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -89.58 143.61 26.67 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.866 -0.521 . . . . 0.0 109.98 171.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.8 m -126.74 124.8 40.59 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 125.288 1.435 . . . . 0.0 108.407 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -69.3 149.53 48.37 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 123.286 0.634 . . . . 0.0 111.492 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -138.08 82.13 1.9 Allowed 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 122.126 0.965 . . . . 0.0 109.54 -173.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -56.8 -18.95 14.67 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.56 -20.64 64.89 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.58 1.152 . . . . 0.0 113.449 171.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.7 t -134.54 15.13 3.71 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.402 1.881 . . . . 0.0 111.556 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp 33.83 44.56 0.09 Allowed 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 128.28 2.632 . . . . 0.0 113.582 -174.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.3 m -141.12 172.04 13.24 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.0 1.32 . . . . 0.0 108.523 -174.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -98.05 146.08 25.89 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 120.803 -1.186 . . . . 0.0 110.187 173.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.7 t -124.49 160.13 28.98 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.582 1.553 . . . . 0.0 110.777 170.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -94.85 141.9 28.1 Favored 'General case' 0 CA--C 1.528 0.121 0 O-C-N 121.13 -0.982 . . . . 0.0 111.641 -173.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.84 113.79 15.71 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 126.632 1.973 . . . . 0.0 108.53 -173.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -120.65 -6.3 9.69 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 -172.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.242 0 O-C-N 119.66 -1.9 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.808 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -140.41 165.21 28.04 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.209 0.604 . . . . 0.0 110.709 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -100.11 139.62 35.51 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.659 0.783 . . . . 0.0 110.242 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.1 p -135.66 147.95 48.76 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.458 1.503 . . . . 0.0 110.216 -176.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 -88.61 147.74 24.41 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 121.732 -0.605 . . . . 0.0 111.292 -173.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -132.38 82.29 2.0 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.688 0.756 . . . . 0.0 110.613 -171.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -52.49 -29.72 26.39 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 127.787 2.435 . . . . 0.0 115.058 -178.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.34 -26.0 66.28 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.311 0.96 . . . . 0.0 112.6 172.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.3 p -116.41 -19.48 10.1 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.769 1.628 . . . . 0.0 114.574 -169.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.8 mptt 69.16 30.56 4.3 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 128.464 2.705 . . . . 0.0 113.179 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.9 t -149.35 -176.79 5.52 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.237 -0.914 . . . . 0.0 109.924 176.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -104.62 129.1 52.79 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 124.18 0.992 . . . . 0.0 110.258 -171.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.1 t -106.71 163.85 12.57 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.069 0.948 . . . . 0.0 110.075 170.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 44.6 t-105 -109.89 138.03 46.85 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.672 1.589 . . . . 0.0 108.079 -174.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.4 t -126.96 147.25 50.11 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 122.036 0.922 . . . . 0.0 110.186 177.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -121.48 149.66 42.73 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.897 1.679 . . . . 0.0 110.547 -169.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 O-C-N 120.556 -1.34 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.85 0 N-CA-C 110.806 -0.917 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -138.29 179.83 6.22 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.318 1.059 . . . . 0.0 113.142 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 99.9 m95 -102.4 140.8 36.2 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.439 -0.788 . . . . 0.0 110.561 175.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.36 128.97 32.67 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 128.697 2.799 . . . . 0.0 110.639 -173.687 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -74.53 144.19 44.18 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.752 1.221 . . . . 0.0 113.172 -178.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -134.17 86.27 2.26 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.568 1.547 . . . . 0.0 109.037 -170.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -63.72 -18.74 64.33 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.691 0.797 . . . . 0.0 113.003 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.51 -26.75 68.05 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 115.097 1.518 . . . . 0.0 115.097 178.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.7 t -131.73 16.55 4.79 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 125.54 1.536 . . . . 0.0 112.12 169.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.3 mttt 37.64 66.62 0.44 Allowed 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 129.091 2.957 . . . . 0.0 115.154 -173.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.3 t -146.67 178.24 8.46 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.98 0.912 . . . . 0.0 112.559 172.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -101.66 143.87 31.08 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.595 0.758 . . . . 0.0 109.971 171.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.4 m -132.92 137.71 46.71 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 127.124 2.17 . . . . 0.0 109.342 -172.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -78.94 137.15 37.48 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.542 0.737 . . . . 0.0 110.765 -177.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.1 m -119.22 121.25 39.26 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 125.592 1.557 . . . . 0.0 109.342 -178.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.47 -4.77 7.18 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 127.259 2.224 . . . . 0.0 112.157 177.42 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.132 0 O-C-N 120.293 -1.504 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.975 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -138.6 161.86 36.03 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 122.086 0.946 . . . . 0.0 112.463 -176.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -88.95 134.4 33.98 Favored 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 121.68 -0.637 . . . . 0.0 110.826 170.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.2 m -106.42 146.99 29.82 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 169.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -80.08 140.41 36.49 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.064 -1.023 . . . . 0.0 109.941 174.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -124.89 96.34 4.84 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 122.617 1.199 . . . . 0.0 112.209 -174.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -50.82 -30.89 15.49 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 127.379 2.272 . . . . 0.0 114.309 175.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.68 -15.23 60.33 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.7 p -126.71 5.12 6.71 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 125.655 1.582 . . . . 0.0 112.511 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt 34.79 44.92 0.13 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.231 1.812 . . . . 0.0 111.716 -169.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.439 HG22 ' H ' ' A' ' 52' ' ' TRP . 21.6 m -146.44 173.75 12.0 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.762 1.625 . . . . 0.0 108.281 -172.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TRP . . . . . 0.439 ' H ' HG22 ' A' ' 51' ' ' THR . 95.7 m95 -96.26 141.8 29.17 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 176.412 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.4 m -130.26 146.38 51.86 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 177.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 59.7 t-105 -89.87 139.47 30.55 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 122.377 1.084 . . . . 0.0 112.029 -169.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.18 103.47 7.44 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 127.422 2.289 . . . . 0.0 107.567 -174.023 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -60.32 -3.5 0.65 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.556 1.942 . . . . 0.0 116.159 -169.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.198 0 O-C-N 119.418 -2.051 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.402 ' HA3' ' HA ' ' A' ' 56' ' ' GLU . . . . . . . . 0 N--CA 1.471 1.002 0 N-CA-C 111.329 -0.709 . . . . 0.0 111.329 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -136.67 159.31 42.21 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 120.999 0.428 . . . . 0.0 112.038 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -95.72 127.3 41.63 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.556 -0.715 . . . . 0.0 109.265 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.93 139.46 44.97 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.222 1.409 . . . . 0.0 110.988 -169.086 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -84.57 145.84 27.85 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.371 -0.831 . . . . 0.0 112.364 -175.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -140.41 93.27 2.6 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 -171.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.14 -25.82 65.8 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 128.404 2.681 . . . . 0.0 115.252 177.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.5 -12.13 29.49 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.782 1.233 . . . . 0.0 113.992 175.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.4 m -138.33 -12.77 1.38 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.117 1.767 . . . . 0.0 112.349 169.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.6 mttp 65.86 58.62 0.76 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 129.78 3.232 . . . . 0.0 112.191 -177.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.1 t -145.68 177.2 9.07 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -177.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -98.56 122.7 42.1 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.719 1.208 . . . . 0.0 109.14 169.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.9 m -115.99 148.61 39.93 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.984 1.714 . . . . 0.0 108.353 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 62.8 t-105 -92.4 138.42 31.53 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.53 -0.731 . . . . 0.0 110.369 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.8 m -123.77 90.51 3.29 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 125.631 1.572 . . . . 0.0 107.274 -175.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.402 ' HA ' ' HA3' ' A' ' 41' ' ' GLY . 14.2 tt0 -70.74 -18.7 62.78 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -171.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.211 0 O-C-N 120.564 -1.335 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.409 ' HA3' ' CZ2' ' A' ' 54' ' ' TRP . . . . . . . . 0 N--CA 1.471 1.006 0 N-CA-C 111.564 -0.614 . . . . 0.0 111.564 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -139.73 166.81 23.6 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.287 1.435 . . . . 0.0 111.108 -171.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -101.02 144.22 30.22 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.4 -0.812 . . . . 0.0 111.602 173.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.6 p -139.96 166.02 25.76 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 128.134 2.573 . . . . 0.0 112.102 -178.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -98.85 143.12 29.53 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.104 1.362 . . . . 0.0 113.146 -169.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -127.6 83.46 2.16 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.879 0.847 . . . . 0.0 110.503 177.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -50.61 -31.35 15.74 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 127.95 2.5 . . . . 0.0 114.556 -177.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.7 -20.41 56.14 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.577 1.151 . . . . 0.0 113.66 171.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.1 p -117.89 -21.98 8.13 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 128.848 2.859 . . . . 0.0 112.724 -176.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm 57.1 32.02 20.98 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.247 1.419 . . . . 0.0 112.632 -169.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.7 p -120.05 168.0 11.62 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.772 2.029 . . . . 0.0 111.127 174.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -99.7 151.19 21.51 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.111 1.365 . . . . 0.0 108.928 169.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.7 m -142.71 158.69 43.39 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.961 2.104 . . . . 0.0 110.664 -171.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.409 ' CZ2' ' HA3' ' A' ' 41' ' ' GLY . 59.5 t-105 -96.35 142.4 28.52 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.073 0.949 . . . . 0.0 112.858 -177.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.4 p -140.19 161.79 36.81 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.375 1.47 . . . . 0.0 110.965 175.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.03 20.72 11.8 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -169.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.228 0 O-C-N 119.554 -1.966 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.091 0 CA-C-O 120.361 -0.133 . . . . 0.0 112.918 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -144.09 -176.77 5.14 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.902 1.681 . . . . 0.0 112.985 -169.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -114.26 152.11 31.82 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.416 1.486 . . . . 0.0 111.6 -177.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.0 p -140.36 159.0 43.17 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.77 2.028 . . . . 0.0 111.822 177.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -91.75 143.44 26.53 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.779 0.832 . . . . 0.0 110.503 171.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -133.73 101.38 5.08 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.688 0.756 . . . . 0.0 111.734 -172.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -65.28 -23.34 67.01 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -172.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.51 1.7 13.51 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 119.431 1.014 . . . . 0.0 113.464 171.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.0 p -129.17 -21.8 3.21 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.15 0.98 . . . . 0.0 113.531 169.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.0 mtmm 55.99 39.01 30.57 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.282 1.433 . . . . 0.0 111.151 -169.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.8 p -137.08 -179.51 5.76 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 126.107 1.763 . . . . 0.0 109.571 174.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -96.82 149.12 22.21 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.962 0.887 . . . . 0.0 110.203 173.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.0 m -134.49 129.57 35.37 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 126.119 1.768 . . . . 0.0 109.506 -174.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -76.96 150.6 35.89 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.365 1.066 . . . . 0.0 109.884 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.0 p -135.94 110.72 8.71 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 126.15 1.78 . . . . 0.0 107.128 -173.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -63.73 -4.63 3.24 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 -169.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 O-C-N 119.653 -1.904 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.047 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -147.25 167.6 23.82 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.766 0.826 . . . . 0.0 113.054 -176.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -97.93 129.73 44.83 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.714 1.205 . . . . 0.0 112.188 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 88.9 m -123.05 153.53 39.73 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.625 1.57 . . . . 0.0 110.15 -178.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -100.01 142.52 31.37 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.73 1.212 . . . . 0.0 112.205 -174.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -137.95 91.81 2.61 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.326 1.051 . . . . 0.0 112.435 -175.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -53.6 -35.01 60.41 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.328 1.451 . . . . 0.0 114.895 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.48 -3.76 4.86 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.863 1.211 . . . . 0.0 113.959 175.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.0 p -129.88 0.54 4.81 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.426 1.89 . . . . 0.0 112.267 170.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.2 mttt 31.75 48.3 0.09 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.412 2.285 . . . . 0.0 111.926 -168.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.0 m -140.17 169.07 18.36 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.017 1.727 . . . . 0.0 109.657 -174.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -97.37 142.79 28.8 Favored 'General case' 0 C--O 1.228 -0.06 0 C-N-CA 124.917 1.287 . . . . 0.0 109.751 170.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.6 m -129.5 136.89 50.43 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.213 1.405 . . . . 0.0 108.365 -177.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 69.3 t-105 -76.75 144.08 39.48 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 121.138 0.494 . . . . 0.0 110.969 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.68 116.84 12.58 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.429 1.492 . . . . 0.0 110.653 -169.258 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -72.81 -35.25 67.3 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 127.043 2.137 . . . . 0.0 115.042 -169.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.225 0 O-C-N 120.504 -1.372 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.984 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -153.14 156.43 38.61 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.899 0.857 . . . . 0.0 113.309 -173.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -89.5 151.43 21.99 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.909 0.884 . . . . 0.0 111.23 175.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.2 m -139.0 130.69 27.45 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 124.703 1.201 . . . . 0.0 110.368 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -76.36 146.17 38.95 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.589 1.556 . . . . 0.0 111.199 174.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -138.29 92.86 2.68 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.236 0.541 . . . . 0.0 111.922 -174.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.28 -16.75 37.04 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -177.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.81 -11.46 60.15 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 172.082 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.32 -15.51 4.1 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 125.251 1.42 . . . . 0.0 114.522 173.392 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp 62.25 40.82 11.11 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.445 1.898 . . . . 0.0 112.844 -177.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.9 p -139.07 167.82 21.2 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 126.734 2.014 . . . . 0.0 111.268 -177.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -101.09 146.27 27.67 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 125.314 1.445 . . . . 0.0 110.695 171.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 72.0 p -140.98 152.91 45.3 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.555 1.542 . . . . 0.0 110.489 -172.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 67.6 t-105 -98.64 141.21 31.75 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.508 1.049 . . . . 0.0 111.966 -175.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p -132.39 151.13 51.99 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.042 1.737 . . . . 0.0 111.212 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -75.63 -18.64 59.62 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.808 1.243 . . . . 0.0 113.397 -175.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 O-C-N 120.028 -1.67 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.115 0 CA-C-O 120.751 0.084 . . . . 0.0 113.107 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -137.79 -173.6 3.54 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.577 1.951 . . . . 0.0 111.808 -176.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -112.75 147.19 37.39 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.037 -1.039 . . . . 0.0 111.974 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.1 m -142.51 157.15 45.04 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 120.385 -1.447 . . . . 0.0 111.906 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -89.4 146.39 24.7 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.468 1.107 . . . . 0.0 112.997 -170.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -135.33 85.6 2.18 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.13 1.372 . . . . 0.0 111.061 -169.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -52.18 -29.21 21.27 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.735 1.614 . . . . 0.0 113.782 176.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.13 -5.32 30.76 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.502 1.121 . . . . 0.0 113.634 176.383 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.3 p -132.71 -15.92 2.66 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.558 1.543 . . . . 0.0 113.608 170.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.1 mttt 58.27 43.7 19.81 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.105 1.762 . . . . 0.0 110.908 -169.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.7 p -139.75 178.27 7.36 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.584 1.554 . . . . 0.0 111.17 178.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -99.04 136.09 39.5 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 125.515 1.526 . . . . 0.0 110.007 172.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 t -119.42 166.33 13.21 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 126.156 1.782 . . . . 0.0 110.076 173.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -93.29 143.18 26.52 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 122.17 0.986 . . . . 0.0 110.693 -175.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.9 m -120.9 95.73 4.82 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 127.97 2.508 . . . . 0.0 105.99 -172.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -54.3 -25.1 21.84 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -176.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.165 0 O-C-N 120.546 -1.347 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.137 0 N-CA-C 111.651 -0.579 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -146.89 164.49 32.74 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -170.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -89.97 148.25 23.21 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.656 0.741 . . . . 0.0 110.986 169.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.8 m -135.71 139.81 43.93 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.65 1.98 . . . . 0.0 109.017 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -84.67 131.44 34.59 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.338 0.655 . . . . 0.0 109.48 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -116.87 95.17 4.89 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.982 0.896 . . . . 0.0 111.931 -169.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -53.88 -26.6 25.67 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 126.953 2.101 . . . . 0.0 114.168 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.76 -10.08 25.02 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.585 1.154 . . . . 0.0 113.42 170.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.1 p -140.67 -18.21 0.86 Allowed 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 55.21 46.96 22.68 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 123.296 1.522 . . . . 0.0 110.816 -169.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -142.27 170.06 16.41 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 127.286 2.235 . . . . 0.0 108.589 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -96.8 139.85 32.24 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 121.583 -0.698 . . . . 0.0 110.696 172.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.8 m -136.43 156.28 48.84 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.796 1.638 . . . . 0.0 109.405 -175.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 29.7 t-105 -103.17 133.94 47.42 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 120.81 -1.181 . . . . 0.0 111.897 -173.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.7 m -117.78 116.46 27.05 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 127.127 2.171 . . . . 0.0 107.507 -177.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -77.06 54.59 1.06 Allowed 'General case' 0 CA--C 1.547 0.839 0 CA-C-O 122.477 1.132 . . . . 0.0 112.146 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 O-C-N 120.161 -1.587 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.884 0 CA-C-O 120.086 -0.285 . . . . 0.0 112.641 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -137.91 174.14 10.88 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.955 0.902 . . . . 0.0 111.68 172.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -105.86 140.58 38.67 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-O 121.653 0.739 . . . . 0.0 110.617 170.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -129.89 120.35 24.75 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 126.126 1.77 . . . . 0.0 107.597 175.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -63.46 137.3 58.09 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.296 -0.878 . . . . 0.0 111.496 175.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -123.5 85.37 2.41 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 122.571 1.177 . . . . 0.0 110.473 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -57.55 -13.0 3.14 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.007 1.323 . . . . 0.0 114.474 175.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.13 -15.23 59.28 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.215 -0.928 . . . . 0.0 111.104 169.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.56 0.43 1.65 Allowed 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.604 1.162 . . . . 0.0 113.808 177.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 54.74 28.22 9.88 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.151 1.381 . . . . 0.0 112.59 -171.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.8 p -109.83 168.87 9.1 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.653 1.181 . . . . 0.0 110.868 175.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -97.8 142.57 29.4 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 168.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.6 p -119.42 143.27 47.57 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.222 1.809 . . . . 0.0 109.871 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -97.33 126.69 42.72 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.251 0.62 . . . . 0.0 110.183 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.6 m -113.01 111.86 22.89 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.91 0.884 . . . . 0.0 109.332 -175.027 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -115.49 154.46 29.27 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.062 2.145 . . . . 0.0 110.602 175.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 O-C-N 120.113 -1.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.83 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.38 173.9 11.59 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.557 1.143 . . . . 0.0 112.298 -170.54 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -118.29 140.46 49.78 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 125.11 1.364 . . . . 0.0 110.856 -174.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.7 t -138.3 168.21 20.22 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.247 1.419 . . . . 0.0 110.682 169.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -89.39 148.99 23.19 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.587 1.155 . . . . 0.0 111.375 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -136.05 91.93 2.74 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.523 0.729 . . . . 0.0 111.471 -178.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -56.65 -26.87 57.26 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.264 1.426 . . . . 0.0 114.589 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.91 0.94 5.01 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 119.148 0.885 . . . . 0.0 113.221 170.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 37.6 p -134.84 -22.11 1.65 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 126.304 1.841 . . . . 0.0 114.832 172.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt 57.44 34.15 24.26 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.764 1.625 . . . . 0.0 111.051 -168.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.9 p -125.8 174.03 8.64 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 127.112 2.165 . . . . 0.0 110.943 175.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -97.66 139.7 33.16 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 169.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.6 m -129.06 141.88 51.08 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 127.11 2.164 . . . . 0.0 110.31 -169.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 54.9 t-105 -92.59 126.21 37.57 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.807 1.643 . . . . 0.0 111.507 -173.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.2 m -100.65 104.71 16.03 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 125.513 1.525 . . . . 0.0 107.638 170.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -72.16 -45.58 59.89 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -173.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 O-C-N 120.639 -1.288 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.179 0 N-CA-C 112.179 -0.369 . . . . 0.0 112.179 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -146.4 176.05 10.08 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.987 1.715 . . . . 0.0 112.6 -174.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -114.7 127.14 55.59 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.002 -1.061 . . . . 0.0 112.91 -177.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 60.7 p -113.76 165.21 12.77 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.743 2.017 . . . . 0.0 111.396 175.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 61.5 t-105 -102.25 133.6 46.89 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.587 1.155 . . . . 0.0 110.235 173.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -117.7 82.36 1.81 Allowed 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 122.712 1.244 . . . . 0.0 110.818 -171.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -46.83 -42.36 17.1 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 127.109 2.163 . . . . 0.0 114.794 -175.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.72 -5.7 9.4 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.2 p -127.16 -17.31 4.82 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 128.107 2.563 . . . . 0.0 113.254 176.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? 51.19 54.17 11.65 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.566 2.346 . . . . 0.0 112.766 -172.546 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.4 t -147.43 177.57 9.13 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 123.948 0.899 . . . . 0.0 109.486 176.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -97.66 139.26 33.81 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 176.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.6 m -133.89 122.81 23.69 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.347 1.459 . . . . 0.0 110.184 -171.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -73.39 141.68 46.98 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 126.49 1.916 . . . . 0.0 112.356 177.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.0 t -140.7 151.44 44.54 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 122.52 0.328 . . . . 0.0 111.359 171.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -115.25 -1.2 12.99 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.194 1.398 . . . . 0.0 112.457 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.251 0 O-C-N 120.804 -1.185 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 56' ' ' GLU . . . . . . . . 0 N--CA 1.473 1.111 0 CA-C-O 121.291 0.384 . . . . 0.0 112.589 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.19 163.78 34.32 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.001 0.921 . . . . 0.0 111.987 -174.165 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -100.14 139.47 35.77 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.339 0.656 . . . . 0.0 109.686 169.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.8 t -138.56 164.58 29.08 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.506 1.523 . . . . 0.0 110.968 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -79.72 148.8 31.39 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.511 0.725 . . . . 0.0 110.823 172.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -139.05 96.67 3.15 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.488 0.661 . . . . 0.0 111.364 173.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -55.68 -19.41 10.65 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.652 1.352 . . . . 0.0 114.652 177.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.94 -11.94 60.02 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 173.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 m -119.84 -12.76 9.15 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.825 1.65 . . . . 0.0 111.058 171.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.1 mttm 49.88 48.97 21.04 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 127.288 2.235 . . . . 0.0 110.727 -172.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 99.7 m -151.38 172.55 15.75 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.629 1.172 . . . . 0.0 109.814 -177.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -100.01 114.08 27.13 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.68 1.592 . . . . 0.0 109.903 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.7 t -117.3 160.94 20.31 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.031 1.733 . . . . 0.0 112.385 -170.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 68.3 t-105 -99.88 139.06 36.09 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.595 1.558 . . . . 0.0 110.645 -170.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.9 m -129.79 126.61 38.53 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.332 1.053 . . . . 0.0 109.812 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 41' ' ' GLY . 0.0 OUTLIER -144.53 168.67 19.59 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.949 2.1 . . . . 0.0 109.54 -176.191 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 O-C-N 120.439 -1.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.016 0 CA-C-O 119.571 -0.572 . . . . 0.0 111.916 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -122.76 166.43 14.95 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 117.767 0.783 . . . . 0.0 111.23 170.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -93.01 125.17 37.47 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 169.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.3 m -109.74 163.42 13.52 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 127.857 2.463 . . . . 0.0 109.855 174.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -101.38 116.24 32.33 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.703 1.201 . . . . 0.0 112.425 -169.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -100.98 86.46 3.06 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 123.662 1.696 . . . . 0.0 110.083 177.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -59.24 -14.47 11.08 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.981 1.713 . . . . 0.0 114.226 170.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.49 -25.07 65.78 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 119.018 0.826 . . . . 0.0 112.989 171.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.2 p -136.61 -5.71 1.98 Allowed 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 174.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.4 mptt 69.81 56.59 0.33 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 128.102 2.561 . . . . 0.0 112.064 -177.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.9 t -139.64 174.0 10.96 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 125.186 1.394 . . . . 0.0 110.39 178.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -98.3 147.56 24.53 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 169.047 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.7 t -134.58 153.45 51.95 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.675 2.39 . . . . 0.0 109.773 179.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -88.92 146.01 25.18 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.089 -1.007 . . . . 0.0 111.898 -174.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.1 m -125.66 101.66 6.99 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 127.504 2.321 . . . . 0.0 108.606 -170.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -138.13 177.01 8.2 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.139 1.776 . . . . 0.0 111.42 176.314 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 O-C-N 120.589 -1.319 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.0 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -138.47 170.61 15.71 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.278 1.431 . . . . 0.0 112.383 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -97.63 136.21 38.34 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.505 0.722 . . . . 0.0 110.137 169.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.0 p -127.15 154.79 44.33 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 127.863 2.465 . . . . 0.0 110.036 -176.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -95.62 137.75 34.25 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.261 -0.9 . . . . 0.0 111.496 177.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -125.15 83.6 2.18 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.123 1.369 . . . . 0.0 111.488 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -49.62 -40.82 40.49 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.164 2.186 . . . . 0.0 115.382 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.21 -22.64 18.56 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 175.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 51.2 p -123.17 5.1 9.21 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 128.215 2.606 . . . . 0.0 111.867 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt 34.63 47.87 0.26 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 127.961 2.504 . . . . 0.0 113.874 -169.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.99 173.79 11.19 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 178.685 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -97.74 131.51 44.2 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.371 1.068 . . . . 0.0 110.174 176.587 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.7 p -119.82 161.81 20.16 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 127.761 2.425 . . . . 0.0 110.972 -173.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -108.46 138.89 44.02 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.457 0.703 . . . . 0.0 109.677 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.3 m -141.05 123.64 16.0 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.343 0.657 . . . . 0.0 111.096 -169.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.08 -63.52 0.81 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.859 1.664 . . . . 0.0 110.34 -171.515 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.203 0 O-C-N 121.393 -0.817 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.05 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -149.66 166.42 29.37 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.025 1.33 . . . . 0.0 111.226 -170.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -94.95 140.77 29.48 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 122.008 -0.432 . . . . 0.0 109.95 169.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 t -131.4 146.43 52.26 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 123.873 0.869 . . . . 0.0 108.831 169.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -81.06 140.57 35.03 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 175.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -129.56 83.73 2.16 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 123.23 1.491 . . . . 0.0 107.645 -169.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.98 -16.94 34.54 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 126.7 2.0 . . . . 0.0 113.57 -178.101 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.99 -6.95 53.37 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.247 1.419 . . . . 0.0 113.214 173.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -137.0 -10.91 1.74 Allowed 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.333 1.453 . . . . 0.0 112.976 169.345 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.4 mttm 59.15 44.59 15.63 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.732 2.013 . . . . 0.0 112.215 -178.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.4 p -134.77 176.86 8.26 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 127.722 2.409 . . . . 0.0 110.2 171.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -95.51 139.01 32.39 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 122.021 0.915 . . . . 0.0 110.687 169.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.9 m -117.65 121.77 41.78 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 127.014 2.126 . . . . 0.0 108.532 -171.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 74.6 t-105 -79.57 135.63 36.65 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 172.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -127.2 106.67 9.4 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 125.653 1.581 . . . . 0.0 108.716 -179.541 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.26 166.2 22.42 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.522 0.729 . . . . 0.0 110.799 169.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 121.399 -0.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.621 0 CA-C-O 120.856 0.36 . . . . 0.0 111.462 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -117.39 137.71 52.29 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.322 0.649 . . . . 0.0 112.037 -177.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.0 m -134.59 141.44 46.64 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 126.382 1.873 . . . . 0.0 110.153 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -84.1 138.45 33.03 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.953 1.301 . . . . 0.0 112.728 -174.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -131.41 90.76 2.91 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.865 0.841 . . . . 0.0 111.529 -171.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -54.23 -29.42 46.47 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.939 1.696 . . . . 0.0 114.1 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.36 -13.03 6.83 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 170.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.8 p -130.57 -15.74 3.5 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.717 1.607 . . . . 0.0 115.112 171.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 83.6 mttt 59.66 39.88 20.64 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.016 1.726 . . . . 0.0 112.924 -173.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.0 t -143.69 -174.12 4.16 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 121.887 0.851 . . . . 0.0 109.759 174.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -96.0 151.57 19.32 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 122.376 1.084 . . . . 0.0 110.826 176.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.3 p -131.04 135.2 47.36 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 125.738 1.615 . . . . 0.0 108.977 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 71.4 t-105 -83.57 127.96 34.15 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 114.418 -1.265 . . . . 0.0 110.283 177.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.3 m . . . . . 0 C--O 1.234 0.264 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 174.943 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.539 0.531 0 CA-C-O 121.777 0.799 . . . . 0.0 113.016 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -113.12 134.87 54.34 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.652 1.181 . . . . 0.0 110.704 176.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.0 p -107.61 151.17 25.98 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 127.432 2.293 . . . . 0.0 108.562 170.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.6 t-105 -94.54 139.23 31.45 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.855 0.462 . . . . 0.0 109.99 176.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -125.76 89.91 3.11 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 122.905 1.336 . . . . 0.0 109.92 -173.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -58.03 -13.2 4.22 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -88.93 -6.9 56.95 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 120.183 1.356 . . . . 0.0 113.199 176.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.8 p -131.87 5.59 4.25 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.279 1.832 . . . . 0.0 112.697 177.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt 43.42 44.86 5.12 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.89 2.076 . . . . 0.0 112.025 -178.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.91 172.7 14.27 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 124.073 0.949 . . . . 0.0 111.324 -171.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -98.6 149.29 22.93 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.929 0.891 . . . . 0.0 110.199 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.1 m -137.58 134.05 35.14 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.18 1.792 . . . . 0.0 110.092 -176.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 70.7 t-105 -84.21 139.78 32.15 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.481 1.112 . . . . 0.0 113.175 -173.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.1 t . . . . . 0 N--CA 1.465 0.312 0 CA-C-O 122.03 0.919 . . . . 0.0 111.02 170.123 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 . . . . . 0 C--O 1.237 0.401 0 CA-C-O 121.458 0.646 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -89.58 143.61 26.67 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.866 -0.521 . . . . 0.0 109.98 171.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.8 m -126.74 124.8 40.59 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 125.288 1.435 . . . . 0.0 108.407 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -69.3 149.53 48.37 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 123.286 0.634 . . . . 0.0 111.492 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -138.08 82.13 1.9 Allowed 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 122.126 0.965 . . . . 0.0 109.54 -173.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -56.8 -18.95 14.67 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.56 -20.64 64.89 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.58 1.152 . . . . 0.0 113.449 171.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.7 t -134.54 15.13 3.71 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.402 1.881 . . . . 0.0 111.556 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp 33.83 44.56 0.09 Allowed 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 128.28 2.632 . . . . 0.0 113.582 -174.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.3 m -141.12 172.04 13.24 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.0 1.32 . . . . 0.0 108.523 -174.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -98.05 146.08 25.89 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 120.803 -1.186 . . . . 0.0 110.187 173.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.7 t -124.49 160.13 28.98 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.582 1.553 . . . . 0.0 110.777 170.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -94.85 141.9 28.1 Favored 'General case' 0 CA--C 1.528 0.121 0 O-C-N 121.13 -0.982 . . . . 0.0 111.641 -173.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.467 0.403 0 C-N-CA 126.632 1.973 . . . . 0.0 108.53 -173.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 . . . . . 0 CA--C 1.538 0.505 0 CA-C-O 120.819 0.342 . . . . 0.0 110.709 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -100.11 139.62 35.51 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.659 0.783 . . . . 0.0 110.242 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.1 p -135.66 147.95 48.76 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.458 1.503 . . . . 0.0 110.216 -176.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 -88.61 147.74 24.41 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 121.732 -0.605 . . . . 0.0 111.292 -173.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -132.38 82.29 2.0 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.688 0.756 . . . . 0.0 110.613 -171.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -52.49 -29.72 26.39 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 127.787 2.435 . . . . 0.0 115.058 -178.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.34 -26.0 66.28 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.311 0.96 . . . . 0.0 112.6 172.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.3 p -116.41 -19.48 10.1 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.769 1.628 . . . . 0.0 114.574 -169.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.8 mptt 69.16 30.56 4.3 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 128.464 2.705 . . . . 0.0 113.179 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.9 t -149.35 -176.79 5.52 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.237 -0.914 . . . . 0.0 109.924 176.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -104.62 129.1 52.79 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 124.18 0.992 . . . . 0.0 110.258 -171.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.1 t -106.71 163.85 12.57 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.069 0.948 . . . . 0.0 110.075 170.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 44.6 t-105 -109.89 138.03 46.85 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.672 1.589 . . . . 0.0 108.079 -174.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.4 t . . . . . 0 N--CA 1.472 0.636 0 CA-C-O 122.036 0.922 . . . . 0.0 110.186 177.46 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.538 0.503 0 N-CA-C 113.142 0.793 . . . . 0.0 113.142 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 99.9 m95 -102.4 140.8 36.2 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.439 -0.788 . . . . 0.0 110.561 175.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.36 128.97 32.67 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 128.697 2.799 . . . . 0.0 110.639 -173.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -74.53 144.19 44.18 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.752 1.221 . . . . 0.0 113.172 -178.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -134.17 86.27 2.26 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.568 1.547 . . . . 0.0 109.037 -170.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -63.72 -18.74 64.33 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.691 0.797 . . . . 0.0 113.003 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.51 -26.75 68.05 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 115.097 1.518 . . . . 0.0 115.097 178.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.7 t -131.73 16.55 4.79 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 125.54 1.536 . . . . 0.0 112.12 169.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.3 mttt 37.64 66.62 0.44 Allowed 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 129.091 2.957 . . . . 0.0 115.154 -173.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.3 t -146.67 178.24 8.46 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.98 0.912 . . . . 0.0 112.559 172.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -101.66 143.87 31.08 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.595 0.758 . . . . 0.0 109.971 171.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.4 m -132.92 137.71 46.71 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 127.124 2.17 . . . . 0.0 109.342 -172.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -78.94 137.15 37.48 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.542 0.737 . . . . 0.0 110.765 -177.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.1 m . . . . . 0 CA--C 1.521 -0.167 0 C-N-CA 125.592 1.557 . . . . 0.0 109.342 -178.195 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 . . . . . 0 C--O 1.238 0.454 0 CA-C-O 122.086 0.946 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -88.95 134.4 33.98 Favored 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 121.68 -0.637 . . . . 0.0 110.826 170.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.2 m -106.42 146.99 29.82 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 169.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -80.08 140.41 36.49 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.064 -1.023 . . . . 0.0 109.941 174.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -124.89 96.34 4.84 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 122.617 1.199 . . . . 0.0 112.209 -174.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -50.82 -30.89 15.49 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 127.379 2.272 . . . . 0.0 114.309 175.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.68 -15.23 60.33 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.7 p -126.71 5.12 6.71 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 125.655 1.582 . . . . 0.0 112.511 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt 34.79 44.92 0.13 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.231 1.812 . . . . 0.0 111.716 -169.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.439 HG22 ' H ' ' A' ' 52' ' ' TRP . 21.6 m -146.44 173.75 12.0 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.762 1.625 . . . . 0.0 108.281 -172.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . 0.439 ' H ' HG22 ' A' ' 51' ' ' THR . 95.7 m95 -96.26 141.8 29.17 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 176.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.4 m -130.26 146.38 51.86 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 177.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 59.7 t-105 -89.87 139.47 30.55 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 122.377 1.084 . . . . 0.0 112.029 -169.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.327 -0.38 0 C-N-CA 127.422 2.289 . . . . 0.0 107.567 -174.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? . . . . . 0 CA--C 1.54 0.593 0 CA-C-O 120.999 0.428 . . . . 0.0 112.038 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -95.72 127.3 41.63 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.556 -0.715 . . . . 0.0 109.265 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.93 139.46 44.97 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.222 1.409 . . . . 0.0 110.988 -169.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -84.57 145.84 27.85 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.371 -0.831 . . . . 0.0 112.364 -175.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -140.41 93.27 2.6 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 -171.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.14 -25.82 65.8 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 128.404 2.681 . . . . 0.0 115.252 177.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.5 -12.13 29.49 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.782 1.233 . . . . 0.0 113.992 175.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.4 m -138.33 -12.77 1.38 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.117 1.767 . . . . 0.0 112.349 169.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.6 mttp 65.86 58.62 0.76 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 129.78 3.232 . . . . 0.0 112.191 -177.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.1 t -145.68 177.2 9.07 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -177.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -98.56 122.7 42.1 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.719 1.208 . . . . 0.0 109.14 169.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.9 m -115.99 148.61 39.93 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.984 1.714 . . . . 0.0 108.353 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 62.8 t-105 -92.4 138.42 31.53 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.53 -0.731 . . . . 0.0 110.369 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.8 m . . . . . 0 C--N 1.331 -0.226 0 C-N-CA 125.631 1.572 . . . . 0.0 107.274 -175.05 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 . . . . . 0 CA--C 1.548 0.883 0 CA-C-O 119.896 -0.097 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -101.02 144.22 30.22 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.4 -0.812 . . . . 0.0 111.602 173.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.6 p -139.96 166.02 25.76 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 128.134 2.573 . . . . 0.0 112.102 -178.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -98.85 143.12 29.53 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.104 1.362 . . . . 0.0 113.146 -169.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -127.6 83.46 2.16 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.879 0.847 . . . . 0.0 110.503 177.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -50.61 -31.35 15.74 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 127.95 2.5 . . . . 0.0 114.556 -177.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.7 -20.41 56.14 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.577 1.151 . . . . 0.0 113.66 171.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.1 p -117.89 -21.98 8.13 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 128.848 2.859 . . . . 0.0 112.724 -176.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm 57.1 32.02 20.98 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.247 1.419 . . . . 0.0 112.632 -169.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.7 p -120.05 168.0 11.62 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.772 2.029 . . . . 0.0 111.127 174.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -99.7 151.19 21.51 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.111 1.365 . . . . 0.0 108.928 169.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.7 m -142.71 158.69 43.39 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.961 2.104 . . . . 0.0 110.664 -171.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 59.5 t-105 -96.35 142.4 28.52 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.073 0.949 . . . . 0.0 112.858 -177.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.4 p . . . . . 0 N--CA 1.476 0.835 0 C-N-CA 125.375 1.47 . . . . 0.0 110.965 175.599 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.551 0.984 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -114.26 152.11 31.82 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.416 1.486 . . . . 0.0 111.6 -177.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.0 p -140.36 159.0 43.17 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.77 2.028 . . . . 0.0 111.822 177.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -91.75 143.44 26.53 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.779 0.832 . . . . 0.0 110.503 171.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -133.73 101.38 5.08 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.688 0.756 . . . . 0.0 111.734 -172.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -65.28 -23.34 67.01 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -172.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.51 1.7 13.51 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 119.431 1.014 . . . . 0.0 113.464 171.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.0 p -129.17 -21.8 3.21 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.15 0.98 . . . . 0.0 113.531 169.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.0 mtmm 55.99 39.01 30.57 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.282 1.433 . . . . 0.0 111.151 -169.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.8 p -137.08 -179.51 5.76 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 126.107 1.763 . . . . 0.0 109.571 174.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -96.82 149.12 22.21 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.962 0.887 . . . . 0.0 110.203 173.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.0 m -134.49 129.57 35.37 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 126.119 1.768 . . . . 0.0 109.506 -174.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -76.96 150.6 35.89 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.365 1.066 . . . . 0.0 109.884 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.0 p . . . . . 0 C--N 1.325 -0.478 0 C-N-CA 126.15 1.78 . . . . 0.0 107.128 -173.601 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 . . . . . 0 CA--C 1.543 0.705 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -97.93 129.73 44.83 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.714 1.205 . . . . 0.0 112.188 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 88.9 m -123.05 153.53 39.73 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.625 1.57 . . . . 0.0 110.15 -178.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -100.01 142.52 31.37 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.73 1.212 . . . . 0.0 112.205 -174.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -137.95 91.81 2.61 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.326 1.051 . . . . 0.0 112.435 -175.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -53.6 -35.01 60.41 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.328 1.451 . . . . 0.0 114.895 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.48 -3.76 4.86 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.863 1.211 . . . . 0.0 113.959 175.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.0 p -129.88 0.54 4.81 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.426 1.89 . . . . 0.0 112.267 170.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.2 mttt 31.75 48.3 0.09 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.412 2.285 . . . . 0.0 111.926 -168.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.0 m -140.17 169.07 18.36 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.017 1.727 . . . . 0.0 109.657 -174.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -97.37 142.79 28.8 Favored 'General case' 0 C--O 1.228 -0.06 0 C-N-CA 124.917 1.287 . . . . 0.0 109.751 170.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.6 m -129.5 136.89 50.43 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.213 1.405 . . . . 0.0 108.365 -177.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 69.3 t-105 -76.75 144.08 39.48 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 121.138 0.494 . . . . 0.0 110.969 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.537 0.471 0 C-N-CA 125.429 1.492 . . . . 0.0 110.653 -169.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 . . . . . 0 CA--C 1.539 0.524 0 CA-C-O 121.899 0.857 . . . . 0.0 113.309 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -89.5 151.43 21.99 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.909 0.884 . . . . 0.0 111.23 175.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.2 m -139.0 130.69 27.45 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 124.703 1.201 . . . . 0.0 110.368 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -76.36 146.17 38.95 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.589 1.556 . . . . 0.0 111.199 174.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -138.29 92.86 2.68 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.236 0.541 . . . . 0.0 111.922 -174.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.28 -16.75 37.04 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -177.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.81 -11.46 60.15 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 172.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.32 -15.51 4.1 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 125.251 1.42 . . . . 0.0 114.522 173.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp 62.25 40.82 11.11 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.445 1.898 . . . . 0.0 112.844 -177.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.9 p -139.07 167.82 21.2 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 126.734 2.014 . . . . 0.0 111.268 -177.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -101.09 146.27 27.67 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 125.314 1.445 . . . . 0.0 110.695 171.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 72.0 p -140.98 152.91 45.3 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.555 1.542 . . . . 0.0 110.489 -172.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 67.6 t-105 -98.64 141.21 31.75 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.508 1.049 . . . . 0.0 111.966 -175.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p . . . . . 0 N--CA 1.471 0.607 0 C-N-CA 126.042 1.737 . . . . 0.0 111.212 178.73 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 . . . . . 0 CA--C 1.547 0.837 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -112.75 147.19 37.39 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.037 -1.039 . . . . 0.0 111.974 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.1 m -142.51 157.15 45.04 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 120.385 -1.447 . . . . 0.0 111.906 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -89.4 146.39 24.7 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.468 1.107 . . . . 0.0 112.997 -170.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -135.33 85.6 2.18 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.13 1.372 . . . . 0.0 111.061 -169.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -52.18 -29.21 21.27 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.735 1.614 . . . . 0.0 113.782 176.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.13 -5.32 30.76 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.502 1.121 . . . . 0.0 113.634 176.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.3 p -132.71 -15.92 2.66 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.558 1.543 . . . . 0.0 113.608 170.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.1 mttt 58.27 43.7 19.81 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.105 1.762 . . . . 0.0 110.908 -169.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.7 p -139.75 178.27 7.36 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.584 1.554 . . . . 0.0 111.17 178.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -99.04 136.09 39.5 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 125.515 1.526 . . . . 0.0 110.007 172.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 t -119.42 166.33 13.21 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 126.156 1.782 . . . . 0.0 110.076 173.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -93.29 143.18 26.52 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 122.17 0.986 . . . . 0.0 110.693 -175.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.9 m . . . . . 0 CA--C 1.518 -0.264 0 C-N-CA 127.97 2.508 . . . . 0.0 105.99 -172.647 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 . . . . . 0 CA--C 1.542 0.663 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -89.97 148.25 23.21 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.656 0.741 . . . . 0.0 110.986 169.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.8 m -135.71 139.81 43.93 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.65 1.98 . . . . 0.0 109.017 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -84.67 131.44 34.59 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.338 0.655 . . . . 0.0 109.48 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -116.87 95.17 4.89 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.982 0.896 . . . . 0.0 111.931 -169.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -53.88 -26.6 25.67 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 126.953 2.101 . . . . 0.0 114.168 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.76 -10.08 25.02 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.585 1.154 . . . . 0.0 113.42 170.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.1 p -140.67 -18.21 0.86 Allowed 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 55.21 46.96 22.68 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 123.296 1.522 . . . . 0.0 110.816 -169.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -142.27 170.06 16.41 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 127.286 2.235 . . . . 0.0 108.589 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -96.8 139.85 32.24 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 121.583 -0.698 . . . . 0.0 110.696 172.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.8 m -136.43 156.28 48.84 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.796 1.638 . . . . 0.0 109.405 -175.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 29.7 t-105 -103.17 133.94 47.42 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 120.81 -1.181 . . . . 0.0 111.897 -173.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.7 m . . . . . 0 C--O 1.234 0.254 0 C-N-CA 127.127 2.171 . . . . 0.0 107.507 -177.584 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 . . . . . 0 CA--C 1.535 0.376 0 CA-C-O 120.996 0.427 . . . . 0.0 111.68 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -105.86 140.58 38.67 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-O 121.653 0.739 . . . . 0.0 110.617 170.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -129.89 120.35 24.75 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 126.126 1.77 . . . . 0.0 107.597 175.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -63.46 137.3 58.09 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.296 -0.878 . . . . 0.0 111.496 175.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -123.5 85.37 2.41 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 122.571 1.177 . . . . 0.0 110.473 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -57.55 -13.0 3.14 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.007 1.323 . . . . 0.0 114.474 175.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.13 -15.23 59.28 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.215 -0.928 . . . . 0.0 111.104 169.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.56 0.43 1.65 Allowed 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.604 1.162 . . . . 0.0 113.808 177.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 54.74 28.22 9.88 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.151 1.381 . . . . 0.0 112.59 -171.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.8 p -109.83 168.87 9.1 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.653 1.181 . . . . 0.0 110.868 175.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -97.8 142.57 29.4 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 168.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.6 p -119.42 143.27 47.57 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.222 1.809 . . . . 0.0 109.871 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -97.33 126.69 42.72 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.251 0.62 . . . . 0.0 110.183 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.6 m . . . . . 0 N--CA 1.468 0.458 0 C-N-CA 123.91 0.884 . . . . 0.0 109.332 -175.027 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.534 0.33 0 CA-C-O 121.307 0.575 . . . . 0.0 112.298 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -118.29 140.46 49.78 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 125.11 1.364 . . . . 0.0 110.856 -174.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.7 t -138.3 168.21 20.22 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.247 1.419 . . . . 0.0 110.682 169.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -89.39 148.99 23.19 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.587 1.155 . . . . 0.0 111.375 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -136.05 91.93 2.74 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.523 0.729 . . . . 0.0 111.471 -178.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -56.65 -26.87 57.26 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.264 1.426 . . . . 0.0 114.589 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.91 0.94 5.01 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 119.148 0.885 . . . . 0.0 113.221 170.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 37.6 p -134.84 -22.11 1.65 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 126.304 1.841 . . . . 0.0 114.832 172.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt 57.44 34.15 24.26 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.764 1.625 . . . . 0.0 111.051 -168.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.9 p -125.8 174.03 8.64 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 127.112 2.165 . . . . 0.0 110.943 175.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -97.66 139.7 33.16 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 169.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.6 m -129.06 141.88 51.08 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 127.11 2.164 . . . . 0.0 110.31 -169.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 54.9 t-105 -92.59 126.21 37.57 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.807 1.643 . . . . 0.0 111.507 -173.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.2 m . . . . . 0 N--CA 1.465 0.302 0 C-N-CA 125.513 1.525 . . . . 0.0 107.638 170.308 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 . . . . . 0 CA--C 1.551 1.01 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -114.7 127.14 55.59 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.002 -1.061 . . . . 0.0 112.91 -177.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 60.7 p -113.76 165.21 12.77 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.743 2.017 . . . . 0.0 111.396 175.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 61.5 t-105 -102.25 133.6 46.89 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.587 1.155 . . . . 0.0 110.235 173.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -117.7 82.36 1.81 Allowed 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 122.712 1.244 . . . . 0.0 110.818 -171.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -46.83 -42.36 17.1 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 127.109 2.163 . . . . 0.0 114.794 -175.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.72 -5.7 9.4 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.2 p -127.16 -17.31 4.82 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 128.107 2.563 . . . . 0.0 113.254 176.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? 51.19 54.17 11.65 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.566 2.346 . . . . 0.0 112.766 -172.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.4 t -147.43 177.57 9.13 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 123.948 0.899 . . . . 0.0 109.486 176.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -97.66 139.26 33.81 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 176.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.6 m -133.89 122.81 23.69 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.347 1.459 . . . . 0.0 110.184 -171.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -73.39 141.68 46.98 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 126.49 1.916 . . . . 0.0 112.356 177.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.0 t . . . . . 0 N--CA 1.464 0.238 0 C-N-CA 122.52 0.328 . . . . 0.0 111.359 171.225 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.536 0.43 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -100.14 139.47 35.77 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.339 0.656 . . . . 0.0 109.686 169.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.8 t -138.56 164.58 29.08 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.506 1.523 . . . . 0.0 110.968 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -79.72 148.8 31.39 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.511 0.725 . . . . 0.0 110.823 172.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -139.05 96.67 3.15 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.488 0.661 . . . . 0.0 111.364 173.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -55.68 -19.41 10.65 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.652 1.352 . . . . 0.0 114.652 177.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.94 -11.94 60.02 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 173.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 m -119.84 -12.76 9.15 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.825 1.65 . . . . 0.0 111.058 171.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.1 mttm 49.88 48.97 21.04 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 127.288 2.235 . . . . 0.0 110.727 -172.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 99.7 m -151.38 172.55 15.75 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.629 1.172 . . . . 0.0 109.814 -177.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -100.01 114.08 27.13 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.68 1.592 . . . . 0.0 109.903 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.7 t -117.3 160.94 20.31 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.031 1.733 . . . . 0.0 112.385 -170.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 68.3 t-105 -99.88 139.06 36.09 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.595 1.558 . . . . 0.0 110.645 -170.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.9 m . . . . . 0 N--CA 1.469 0.505 0 C-N-CA 124.332 1.053 . . . . 0.0 109.812 179.816 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 . . . . . 0 N--CA 1.465 0.306 0 CA-C-O 120.965 0.412 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -93.01 125.17 37.47 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 169.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.3 m -109.74 163.42 13.52 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 127.857 2.463 . . . . 0.0 109.855 174.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -101.38 116.24 32.33 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.703 1.201 . . . . 0.0 112.425 -169.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -100.98 86.46 3.06 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 123.662 1.696 . . . . 0.0 110.083 177.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -59.24 -14.47 11.08 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.981 1.713 . . . . 0.0 114.226 170.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.49 -25.07 65.78 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 119.018 0.826 . . . . 0.0 112.989 171.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.2 p -136.61 -5.71 1.98 Allowed 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 174.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.4 mptt 69.81 56.59 0.33 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 128.102 2.561 . . . . 0.0 112.064 -177.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.9 t -139.64 174.0 10.96 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 125.186 1.394 . . . . 0.0 110.39 178.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -98.3 147.56 24.53 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 169.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.7 t -134.58 153.45 51.95 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.675 2.39 . . . . 0.0 109.773 179.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -88.92 146.01 25.18 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.089 -1.007 . . . . 0.0 111.898 -174.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.1 m . . . . . 0 N--CA 1.467 0.409 0 C-N-CA 127.504 2.321 . . . . 0.0 108.606 -170.207 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 . . . . . 0 CA--C 1.538 0.501 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -97.63 136.21 38.34 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.505 0.722 . . . . 0.0 110.137 169.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.0 p -127.15 154.79 44.33 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 127.863 2.465 . . . . 0.0 110.036 -176.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -95.62 137.75 34.25 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.261 -0.9 . . . . 0.0 111.496 177.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -125.15 83.6 2.18 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.123 1.369 . . . . 0.0 111.488 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -49.62 -40.82 40.49 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.164 2.186 . . . . 0.0 115.382 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.21 -22.64 18.56 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 175.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 51.2 p -123.17 5.1 9.21 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 128.215 2.606 . . . . 0.0 111.867 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt 34.63 47.87 0.26 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 127.961 2.504 . . . . 0.0 113.874 -169.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.99 173.79 11.19 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 178.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -97.74 131.51 44.2 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.371 1.068 . . . . 0.0 110.174 176.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.7 p -119.82 161.81 20.16 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 127.761 2.425 . . . . 0.0 110.972 -173.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -108.46 138.89 44.02 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.457 0.703 . . . . 0.0 109.677 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.3 m . . . . . 0 CA--C 1.533 0.321 0 C-N-CA 123.343 0.657 . . . . 0.0 111.096 -169.646 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 . . . . . 0 CA--C 1.54 0.573 0 N-CA-C 111.226 0.084 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -94.95 140.77 29.48 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 122.008 -0.432 . . . . 0.0 109.95 169.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 t -131.4 146.43 52.26 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 123.873 0.869 . . . . 0.0 108.831 169.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -81.06 140.57 35.03 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 175.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -129.56 83.73 2.16 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 123.23 1.491 . . . . 0.0 107.645 -169.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.98 -16.94 34.54 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 126.7 2.0 . . . . 0.0 113.57 -178.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.99 -6.95 53.37 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.247 1.419 . . . . 0.0 113.214 173.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -137.0 -10.91 1.74 Allowed 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.333 1.453 . . . . 0.0 112.976 169.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.4 mttm 59.15 44.59 15.63 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.732 2.013 . . . . 0.0 112.215 -178.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.4 p -134.77 176.86 8.26 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 127.722 2.409 . . . . 0.0 110.2 171.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -95.51 139.01 32.39 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 122.021 0.915 . . . . 0.0 110.687 169.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.9 m -117.65 121.77 41.78 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 127.014 2.126 . . . . 0.0 108.532 -171.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 74.6 t-105 -79.57 135.63 36.65 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 172.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 C-N-CA 125.653 1.581 . . . . 0.0 108.716 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.127 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.4 179.6 9.01 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.811 1.245 . . . . 0.0 111.462 -169.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 98.7 m95 -117.39 137.71 52.29 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 123.322 0.649 . . . . 0.0 112.037 -177.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.0 m -134.59 141.44 46.64 Favored 'General case' 0 C--O 1.239 0.548 0 C-N-CA 126.382 1.873 . . . . 0.0 110.153 -178.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 73.4 t-105 -84.1 138.45 33.03 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.953 1.301 . . . . 0.0 112.728 -174.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -131.41 90.76 2.91 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.865 0.841 . . . . 0.0 111.529 -171.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -54.23 -29.42 46.47 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 125.939 1.696 . . . . 0.0 114.1 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.36 -13.03 6.83 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 170.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.8 p -130.57 -15.74 3.5 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.717 1.607 . . . . 0.0 115.112 171.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 83.6 mttt 59.66 39.88 20.64 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 126.016 1.726 . . . . 0.0 112.924 -173.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 15.0 t -143.69 -174.12 4.16 Favored 'General case' 0 C--O 1.241 0.616 0 CA-C-O 121.887 0.851 . . . . 0.0 109.759 174.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -96.0 151.57 19.32 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 122.376 1.084 . . . . 0.0 110.826 176.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 22.3 p -131.04 135.2 47.36 Favored 'General case' 0 C--O 1.236 0.378 0 C-N-CA 125.738 1.615 . . . . 0.0 108.977 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 71.4 t-105 -83.57 127.96 34.15 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-N 114.418 -1.265 . . . . 0.0 110.283 177.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 55.3 m -103.53 102.81 12.71 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 106.336 -1.727 . . . . 0.0 106.336 174.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -70.54 162.58 28.57 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 122.176 0.989 . . . . 0.0 111.827 175.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.377 0 O-C-N 120.448 -1.407 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.034 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -136.82 -177.96 4.97 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.777 0.799 . . . . 0.0 113.016 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -113.12 134.87 54.34 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.652 1.181 . . . . 0.0 110.704 176.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.0 p -107.61 151.17 25.98 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 127.432 2.293 . . . . 0.0 108.562 170.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 58.6 t-105 -94.54 139.23 31.45 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 122.855 0.462 . . . . 0.0 109.99 176.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -125.76 89.91 3.11 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-O 122.905 1.336 . . . . 0.0 109.92 -173.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -58.03 -13.2 4.22 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 116.254 1.946 . . . . 0.0 116.254 -178.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -88.93 -6.9 56.95 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 120.183 1.356 . . . . 0.0 113.199 176.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.8 p -131.87 5.59 4.25 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.279 1.832 . . . . 0.0 112.697 177.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt 43.42 44.86 5.12 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 126.89 2.076 . . . . 0.0 112.025 -178.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.91 172.7 14.27 Favored 'General case' 0 C--O 1.235 0.29 0 C-N-CA 124.073 0.949 . . . . 0.0 111.324 -171.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -98.6 149.29 22.93 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 123.929 0.891 . . . . 0.0 110.199 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 21.1 m -137.58 134.05 35.14 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 126.18 1.792 . . . . 0.0 110.092 -176.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 70.7 t-105 -84.21 139.78 32.15 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 124.481 1.112 . . . . 0.0 113.175 -173.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 11.1 t -137.82 129.41 28.19 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 122.03 0.919 . . . . 0.0 111.02 170.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -107.61 15.31 24.85 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.841 1.657 . . . . 0.0 113.398 -173.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.136 0 O-C-N 120.038 -1.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.943 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -140.92 168.91 18.67 Favored 'General case' 0 C--O 1.237 0.401 0 C-N-CA 123.432 0.693 . . . . 0.0 110.179 171.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -89.58 143.61 26.67 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.866 -0.521 . . . . 0.0 109.98 171.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.8 m -126.74 124.8 40.59 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 125.288 1.435 . . . . 0.0 108.407 176.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 70.6 t-105 -69.3 149.53 48.37 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 123.286 0.634 . . . . 0.0 111.492 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.6 t0 -138.08 82.13 1.9 Allowed 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 122.126 0.965 . . . . 0.0 109.54 -173.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -56.8 -18.95 14.67 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -62.56 -20.64 64.89 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.58 1.152 . . . . 0.0 113.449 171.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.7 t -134.54 15.13 3.71 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 126.402 1.881 . . . . 0.0 111.556 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp 33.83 44.56 0.09 Allowed 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 128.28 2.632 . . . . 0.0 113.582 -174.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 26.3 m -141.12 172.04 13.24 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.0 1.32 . . . . 0.0 108.523 -174.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -98.05 146.08 25.89 Favored 'General case' 0 CA--C 1.539 0.539 0 O-C-N 120.803 -1.186 . . . . 0.0 110.187 173.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.7 t -124.49 160.13 28.98 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.582 1.553 . . . . 0.0 110.777 170.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -94.85 141.9 28.1 Favored 'General case' 0 CA--C 1.528 0.121 0 O-C-N 121.13 -0.982 . . . . 0.0 111.641 -173.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -128.84 113.79 15.71 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 126.632 1.973 . . . . 0.0 108.53 -173.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -120.65 -6.3 9.69 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 114.631 1.345 . . . . 0.0 114.631 -172.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.242 0 O-C-N 119.66 -1.9 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.808 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -140.41 165.21 28.04 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.209 0.604 . . . . 0.0 110.709 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -100.11 139.62 35.51 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 123.659 0.783 . . . . 0.0 110.242 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.1 p -135.66 147.95 48.76 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 125.458 1.503 . . . . 0.0 110.216 -176.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 66.8 t-105 -88.61 147.74 24.41 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 121.732 -0.605 . . . . 0.0 111.292 -173.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 36.1 t0 -132.38 82.29 2.0 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.688 0.756 . . . . 0.0 110.613 -171.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -52.49 -29.72 26.39 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 127.787 2.435 . . . . 0.0 115.058 -178.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -67.34 -26.0 66.28 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.311 0.96 . . . . 0.0 112.6 172.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 30.3 p -116.41 -19.48 10.1 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.769 1.628 . . . . 0.0 114.574 -169.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 10.8 mptt 69.16 30.56 4.3 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 128.464 2.705 . . . . 0.0 113.179 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.9 t -149.35 -176.79 5.52 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.237 -0.914 . . . . 0.0 109.924 176.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -104.62 129.1 52.79 Favored 'General case' 0 C--N 1.333 -0.135 0 C-N-CA 124.18 0.992 . . . . 0.0 110.258 -171.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.1 t -106.71 163.85 12.57 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.069 0.948 . . . . 0.0 110.075 170.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 44.6 t-105 -109.89 138.03 46.85 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 125.672 1.589 . . . . 0.0 108.079 -174.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 12.4 t -126.96 147.25 50.11 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-O 122.036 0.922 . . . . 0.0 110.186 177.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -121.48 149.66 42.73 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 125.897 1.679 . . . . 0.0 110.547 -169.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 O-C-N 120.556 -1.34 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.85 0 N-CA-C 110.806 -0.917 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -138.29 179.83 6.22 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 118.318 1.059 . . . . 0.0 113.142 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 99.9 m95 -102.4 140.8 36.2 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.439 -0.788 . . . . 0.0 110.561 175.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.36 128.97 32.67 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 128.697 2.799 . . . . 0.0 110.639 -173.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 76.4 t-105 -74.53 144.19 44.18 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.752 1.221 . . . . 0.0 113.172 -178.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -134.17 86.27 2.26 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.568 1.547 . . . . 0.0 109.037 -170.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -63.72 -18.74 64.33 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 123.691 0.797 . . . . 0.0 113.003 -178.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.51 -26.75 68.05 Favored 'General case' 0 CA--C 1.549 0.923 0 N-CA-C 115.097 1.518 . . . . 0.0 115.097 178.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.7 t -131.73 16.55 4.79 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 125.54 1.536 . . . . 0.0 112.12 169.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.3 mttt 37.64 66.62 0.44 Allowed 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 129.091 2.957 . . . . 0.0 115.154 -173.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 2.3 t -146.67 178.24 8.46 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.98 0.912 . . . . 0.0 112.559 172.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -101.66 143.87 31.08 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.595 0.758 . . . . 0.0 109.971 171.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.4 m -132.92 137.71 46.71 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 127.124 2.17 . . . . 0.0 109.342 -172.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 67.2 t-105 -78.94 137.15 37.48 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 123.542 0.737 . . . . 0.0 110.765 -177.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 2.1 m -119.22 121.25 39.26 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 125.592 1.557 . . . . 0.0 109.342 -178.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.47 -4.77 7.18 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 127.259 2.224 . . . . 0.0 112.157 177.42 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.132 0 O-C-N 120.293 -1.504 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.975 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -138.6 161.86 36.03 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 122.086 0.946 . . . . 0.0 112.463 -176.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 99.6 m95 -88.95 134.4 33.98 Favored 'General case' 0 N--CA 1.451 -0.406 0 O-C-N 121.68 -0.637 . . . . 0.0 110.826 170.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 98.2 m -106.42 146.99 29.82 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 169.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 63.8 t-105 -80.08 140.41 36.49 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.064 -1.023 . . . . 0.0 109.941 174.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -124.89 96.34 4.84 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-O 122.617 1.199 . . . . 0.0 112.209 -174.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -50.82 -30.89 15.49 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 127.379 2.272 . . . . 0.0 114.309 175.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.68 -15.23 60.33 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 74.7 p -126.71 5.12 6.71 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 125.655 1.582 . . . . 0.0 112.511 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 65.2 mmtt 34.79 44.92 0.13 Allowed 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.231 1.812 . . . . 0.0 111.716 -169.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.439 HG22 ' H ' ' A' ' 52' ' ' TRP . 21.6 m -146.44 173.75 12.0 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.762 1.625 . . . . 0.0 108.281 -172.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . 0.439 ' H ' HG22 ' A' ' 51' ' ' THR . 95.7 m95 -96.26 141.8 29.17 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 176.412 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.4 m -130.26 146.38 51.86 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 177.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 59.7 t-105 -89.87 139.47 30.55 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 122.377 1.084 . . . . 0.0 112.029 -169.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.18 103.47 7.44 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 127.422 2.289 . . . . 0.0 107.567 -174.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -60.32 -3.5 0.65 Allowed 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.556 1.942 . . . . 0.0 116.159 -169.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.198 0 O-C-N 119.418 -2.051 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.402 ' HA3' ' HA ' ' A' ' 56' ' ' GLU . . . . . . . . 0 N--CA 1.471 1.002 0 N-CA-C 111.329 -0.709 . . . . 0.0 111.329 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 pp20? -136.67 159.31 42.21 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 120.999 0.428 . . . . 0.0 112.038 -179.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -95.72 127.3 41.63 Favored 'General case' 0 N--CA 1.465 0.324 0 O-C-N 121.556 -0.715 . . . . 0.0 109.265 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.93 139.46 44.97 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 125.222 1.409 . . . . 0.0 110.988 -169.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 76.0 t-105 -84.57 145.84 27.85 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 121.371 -0.831 . . . . 0.0 112.364 -175.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -140.41 93.27 2.6 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 113.804 1.038 . . . . 0.0 113.804 -171.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -60.14 -25.82 65.8 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 128.404 2.681 . . . . 0.0 115.252 177.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -63.5 -12.13 29.49 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.782 1.233 . . . . 0.0 113.992 175.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 95.4 m -138.33 -12.77 1.38 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 126.117 1.767 . . . . 0.0 112.349 169.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 44.6 mttp 65.86 58.62 0.76 Allowed 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 129.78 3.232 . . . . 0.0 112.191 -177.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.1 t -145.68 177.2 9.07 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 -177.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -98.56 122.7 42.1 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 124.719 1.208 . . . . 0.0 109.14 169.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.9 m -115.99 148.61 39.93 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 125.984 1.714 . . . . 0.0 108.353 -177.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 62.8 t-105 -92.4 138.42 31.53 Favored 'General case' 0 N--CA 1.465 0.287 0 O-C-N 121.53 -0.731 . . . . 0.0 110.369 179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.8 m -123.77 90.51 3.29 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 125.631 1.572 . . . . 0.0 107.274 -175.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.402 ' HA ' ' HA3' ' A' ' 41' ' ' GLY . 14.2 tt0 -70.74 -18.7 62.78 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 113.759 1.022 . . . . 0.0 113.759 -171.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.211 0 O-C-N 120.564 -1.335 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.409 ' HA3' ' CZ2' ' A' ' 54' ' ' TRP . . . . . . . . 0 N--CA 1.471 1.006 0 N-CA-C 111.564 -0.614 . . . . 0.0 111.564 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -139.73 166.81 23.6 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.287 1.435 . . . . 0.0 111.108 -171.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -101.02 144.22 30.22 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.4 -0.812 . . . . 0.0 111.602 173.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.6 p -139.96 166.02 25.76 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 128.134 2.573 . . . . 0.0 112.102 -178.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -98.85 143.12 29.53 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.104 1.362 . . . . 0.0 113.146 -169.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -127.6 83.46 2.16 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.879 0.847 . . . . 0.0 110.503 177.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -50.61 -31.35 15.74 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 127.95 2.5 . . . . 0.0 114.556 -177.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.7 -20.41 56.14 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.577 1.151 . . . . 0.0 113.66 171.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 18.1 p -117.89 -21.98 8.13 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 128.848 2.859 . . . . 0.0 112.724 -176.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm 57.1 32.02 20.98 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.247 1.419 . . . . 0.0 112.632 -169.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 31.7 p -120.05 168.0 11.62 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 126.772 2.029 . . . . 0.0 111.127 174.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -99.7 151.19 21.51 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.111 1.365 . . . . 0.0 108.928 169.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 32.7 m -142.71 158.69 43.39 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 126.961 2.104 . . . . 0.0 110.664 -171.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.409 ' CZ2' ' HA3' ' A' ' 41' ' ' GLY . 59.5 t-105 -96.35 142.4 28.52 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.073 0.949 . . . . 0.0 112.858 -177.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.4 p -140.19 161.79 36.81 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.375 1.47 . . . . 0.0 110.965 175.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.03 20.72 11.8 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -169.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.228 0 O-C-N 119.554 -1.966 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.091 0 CA-C-O 120.361 -0.133 . . . . 0.0 112.918 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -144.09 -176.77 5.14 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 125.902 1.681 . . . . 0.0 112.985 -169.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -114.26 152.11 31.82 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.416 1.486 . . . . 0.0 111.6 -177.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.0 p -140.36 159.0 43.17 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 126.77 2.028 . . . . 0.0 111.822 177.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -91.75 143.44 26.53 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.779 0.832 . . . . 0.0 110.503 171.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -133.73 101.38 5.08 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 121.688 0.756 . . . . 0.0 111.734 -172.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -65.28 -23.34 67.01 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 -172.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.51 1.7 13.51 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 119.431 1.014 . . . . 0.0 113.464 171.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.0 p -129.17 -21.8 3.21 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.15 0.98 . . . . 0.0 113.531 169.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 27.0 mtmm 55.99 39.01 30.57 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.282 1.433 . . . . 0.0 111.151 -169.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.8 p -137.08 -179.51 5.76 Favored 'General case' 0 C--O 1.236 0.358 0 C-N-CA 126.107 1.763 . . . . 0.0 109.571 174.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 98.1 m95 -96.82 149.12 22.21 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 121.962 0.887 . . . . 0.0 110.203 173.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.0 m -134.49 129.57 35.37 Favored 'General case' 0 C--O 1.236 0.363 0 C-N-CA 126.119 1.768 . . . . 0.0 109.506 -174.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -76.96 150.6 35.89 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.365 1.066 . . . . 0.0 109.884 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 4.0 p -135.94 110.72 8.71 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 126.15 1.78 . . . . 0.0 107.128 -173.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -63.73 -4.63 3.24 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 116.409 2.003 . . . . 0.0 116.409 -169.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 O-C-N 119.653 -1.904 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.047 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -147.25 167.6 23.82 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 123.766 0.826 . . . . 0.0 113.054 -176.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 89.5 m95 -97.93 129.73 44.83 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 124.714 1.205 . . . . 0.0 112.188 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 88.9 m -123.05 153.53 39.73 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 125.625 1.57 . . . . 0.0 110.15 -178.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 74.7 t-105 -100.01 142.52 31.37 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.73 1.212 . . . . 0.0 112.205 -174.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -137.95 91.81 2.61 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 124.326 1.051 . . . . 0.0 112.435 -175.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -53.6 -35.01 60.41 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 125.328 1.451 . . . . 0.0 114.895 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.48 -3.76 4.86 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.863 1.211 . . . . 0.0 113.959 175.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 57.0 p -129.88 0.54 4.81 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 126.426 1.89 . . . . 0.0 112.267 170.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 60.2 mttt 31.75 48.3 0.09 Allowed 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 127.412 2.285 . . . . 0.0 111.926 -168.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.0 m -140.17 169.07 18.36 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 126.017 1.727 . . . . 0.0 109.657 -174.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -97.37 142.79 28.8 Favored 'General case' 0 C--O 1.228 -0.06 0 C-N-CA 124.917 1.287 . . . . 0.0 109.751 170.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 25.6 m -129.5 136.89 50.43 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.213 1.405 . . . . 0.0 108.365 -177.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 69.3 t-105 -76.75 144.08 39.48 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 121.138 0.494 . . . . 0.0 110.969 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.68 116.84 12.58 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 125.429 1.492 . . . . 0.0 110.653 -169.258 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -72.81 -35.25 67.3 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 127.043 2.137 . . . . 0.0 115.042 -169.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.225 0 O-C-N 120.504 -1.372 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.984 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -153.14 156.43 38.61 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.899 0.857 . . . . 0.0 113.309 -173.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 98.4 m95 -89.5 151.43 21.99 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 123.909 0.884 . . . . 0.0 111.23 175.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.2 m -139.0 130.69 27.45 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 124.703 1.201 . . . . 0.0 110.368 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -76.36 146.17 38.95 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 125.589 1.556 . . . . 0.0 111.199 174.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 28.8 t0 -138.29 92.86 2.68 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-O 121.236 0.541 . . . . 0.0 111.922 -174.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -60.28 -16.75 37.04 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -177.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.81 -11.46 60.15 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 172.082 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.32 -15.51 4.1 Favored 'General case' 0 N--CA 1.483 1.175 0 C-N-CA 125.251 1.42 . . . . 0.0 114.522 173.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp 62.25 40.82 11.11 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 126.445 1.898 . . . . 0.0 112.844 -177.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.9 p -139.07 167.82 21.2 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 126.734 2.014 . . . . 0.0 111.268 -177.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -101.09 146.27 27.67 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 125.314 1.445 . . . . 0.0 110.695 171.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 72.0 p -140.98 152.91 45.3 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.555 1.542 . . . . 0.0 110.489 -172.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 67.6 t-105 -98.64 141.21 31.75 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.508 1.049 . . . . 0.0 111.966 -175.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.3 p -132.39 151.13 51.99 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.042 1.737 . . . . 0.0 111.212 178.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -75.63 -18.64 59.62 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.808 1.243 . . . . 0.0 113.397 -175.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 O-C-N 120.028 -1.67 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.115 0 CA-C-O 120.751 0.084 . . . . 0.0 113.107 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -137.79 -173.6 3.54 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 126.577 1.951 . . . . 0.0 111.808 -176.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -112.75 147.19 37.39 Favored 'General case' 0 CA--C 1.543 0.677 0 O-C-N 121.037 -1.039 . . . . 0.0 111.974 179.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 73.1 m -142.51 157.15 45.04 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 120.385 -1.447 . . . . 0.0 111.906 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 72.0 t-105 -89.4 146.39 24.7 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.468 1.107 . . . . 0.0 112.997 -170.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.7 t0 -135.33 85.6 2.18 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.13 1.372 . . . . 0.0 111.061 -169.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -52.18 -29.21 21.27 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.735 1.614 . . . . 0.0 113.782 176.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -71.13 -5.32 30.76 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.502 1.121 . . . . 0.0 113.634 176.383 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 70.3 p -132.71 -15.92 2.66 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 125.558 1.543 . . . . 0.0 113.608 170.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 64.1 mttt 58.27 43.7 19.81 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.105 1.762 . . . . 0.0 110.908 -169.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 7.7 p -139.75 178.27 7.36 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 125.584 1.554 . . . . 0.0 111.17 178.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -99.04 136.09 39.5 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 125.515 1.526 . . . . 0.0 110.007 172.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 2.8 t -119.42 166.33 13.21 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 126.156 1.782 . . . . 0.0 110.076 173.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 45.5 t-105 -93.29 143.18 26.52 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 122.17 0.986 . . . . 0.0 110.693 -175.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 5.9 m -120.9 95.73 4.82 Favored 'General case' 0 CA--C 1.518 -0.264 0 C-N-CA 127.97 2.508 . . . . 0.0 105.99 -172.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -54.3 -25.1 21.84 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -176.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.165 0 O-C-N 120.546 -1.347 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.137 0 N-CA-C 111.651 -0.579 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -146.89 164.49 32.74 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -170.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -89.97 148.25 23.21 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.656 0.741 . . . . 0.0 110.986 169.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.8 m -135.71 139.81 43.93 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 126.65 1.98 . . . . 0.0 109.017 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 67.9 t-105 -84.67 131.44 34.59 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 123.338 0.655 . . . . 0.0 109.48 178.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -116.87 95.17 4.89 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-O 121.982 0.896 . . . . 0.0 111.931 -169.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -53.88 -26.6 25.67 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 126.953 2.101 . . . . 0.0 114.168 177.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.76 -10.08 25.02 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.585 1.154 . . . . 0.0 113.42 170.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.1 p -140.67 -18.21 0.86 Allowed 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 55.21 46.96 22.68 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 123.296 1.522 . . . . 0.0 110.816 -169.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.2 m -142.27 170.06 16.41 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 127.286 2.235 . . . . 0.0 108.589 -178.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 93.4 m95 -96.8 139.85 32.24 Favored 'General case' 0 N--CA 1.465 0.288 0 O-C-N 121.583 -0.698 . . . . 0.0 110.696 172.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 95.8 m -136.43 156.28 48.84 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 125.796 1.638 . . . . 0.0 109.405 -175.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 29.7 t-105 -103.17 133.94 47.42 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 120.81 -1.181 . . . . 0.0 111.897 -173.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.7 m -117.78 116.46 27.05 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 127.127 2.171 . . . . 0.0 107.507 -177.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -77.06 54.59 1.06 Allowed 'General case' 0 CA--C 1.547 0.839 0 CA-C-O 122.477 1.132 . . . . 0.0 112.146 178.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 O-C-N 120.161 -1.587 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.884 0 CA-C-O 120.086 -0.285 . . . . 0.0 112.641 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -137.91 174.14 10.88 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.955 0.902 . . . . 0.0 111.68 172.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -105.86 140.58 38.67 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-O 121.653 0.739 . . . . 0.0 110.617 170.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -129.89 120.35 24.75 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 126.126 1.77 . . . . 0.0 107.597 175.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 64.7 t-105 -63.46 137.3 58.09 Favored 'General case' 0 CA--C 1.534 0.361 0 O-C-N 121.296 -0.878 . . . . 0.0 111.496 175.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -123.5 85.37 2.41 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-O 122.571 1.177 . . . . 0.0 110.473 178.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -57.55 -13.0 3.14 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.007 1.323 . . . . 0.0 114.474 175.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.13 -15.23 59.28 Favored 'General case' 0 CA--C 1.542 0.658 0 O-C-N 121.215 -0.928 . . . . 0.0 111.104 169.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.56 0.43 1.65 Allowed 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.604 1.162 . . . . 0.0 113.808 177.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 54.74 28.22 9.88 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.151 1.381 . . . . 0.0 112.59 -171.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 32.8 p -109.83 168.87 9.1 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.653 1.181 . . . . 0.0 110.868 175.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 86.9 m95 -97.8 142.57 29.4 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 168.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 45.6 p -119.42 143.27 47.57 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 126.222 1.809 . . . . 0.0 109.871 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -97.33 126.69 42.72 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.251 0.62 . . . . 0.0 110.183 -179.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.6 m -113.01 111.86 22.89 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.91 0.884 . . . . 0.0 109.332 -175.027 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -115.49 154.46 29.27 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 127.062 2.145 . . . . 0.0 110.602 175.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 O-C-N 120.113 -1.617 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.468 0.83 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.38 173.9 11.59 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.557 1.143 . . . . 0.0 112.298 -170.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -118.29 140.46 49.78 Favored 'General case' 0 CA--C 1.531 0.25 0 C-N-CA 125.11 1.364 . . . . 0.0 110.856 -174.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 14.7 t -138.3 168.21 20.22 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.247 1.419 . . . . 0.0 110.682 169.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 74.2 t-105 -89.39 148.99 23.19 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.587 1.155 . . . . 0.0 111.375 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -136.05 91.93 2.74 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.523 0.729 . . . . 0.0 111.471 -178.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -56.65 -26.87 57.26 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.264 1.426 . . . . 0.0 114.589 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -69.91 0.94 5.01 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-N 119.148 0.885 . . . . 0.0 113.221 170.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 37.6 p -134.84 -22.11 1.65 Allowed 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 126.304 1.841 . . . . 0.0 114.832 172.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt 57.44 34.15 24.26 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.764 1.625 . . . . 0.0 111.051 -168.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 28.9 p -125.8 174.03 8.64 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 127.112 2.165 . . . . 0.0 110.943 175.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 95.0 m95 -97.66 139.7 33.16 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 169.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 34.6 m -129.06 141.88 51.08 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 127.11 2.164 . . . . 0.0 110.31 -169.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 54.9 t-105 -92.59 126.21 37.57 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.807 1.643 . . . . 0.0 111.507 -173.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.2 m -100.65 104.71 16.03 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 125.513 1.525 . . . . 0.0 107.638 170.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -72.16 -45.58 59.89 Favored 'General case' 0 CA--C 1.536 0.43 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -173.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 O-C-N 120.639 -1.288 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.179 0 N-CA-C 112.179 -0.369 . . . . 0.0 112.179 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -146.4 176.05 10.08 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 125.987 1.715 . . . . 0.0 112.6 -174.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.9 m95 -114.7 127.14 55.59 Favored 'General case' 0 N--CA 1.468 0.448 0 O-C-N 121.002 -1.061 . . . . 0.0 112.91 -177.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 60.7 p -113.76 165.21 12.77 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 126.743 2.017 . . . . 0.0 111.396 175.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 61.5 t-105 -102.25 133.6 46.89 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.587 1.155 . . . . 0.0 110.235 173.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -117.7 82.36 1.81 Allowed 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 122.712 1.244 . . . . 0.0 110.818 -171.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -46.83 -42.36 17.1 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 127.109 2.163 . . . . 0.0 114.794 -175.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -65.72 -5.7 9.4 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 179.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.2 p -127.16 -17.31 4.82 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 128.107 2.563 . . . . 0.0 113.254 176.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.1 mtmp? 51.19 54.17 11.65 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 127.566 2.346 . . . . 0.0 112.766 -172.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.4 t -147.43 177.57 9.13 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 123.948 0.899 . . . . 0.0 109.486 176.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 88.5 m95 -97.66 139.26 33.81 Favored 'General case' 0 CA--C 1.537 0.476 0 N-CA-C 109.609 -0.515 . . . . 0.0 109.609 176.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 71.6 m -133.89 122.81 23.69 Favored 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 125.347 1.459 . . . . 0.0 110.184 -171.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 63.3 t-105 -73.39 141.68 46.98 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 126.49 1.916 . . . . 0.0 112.356 177.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.0 t -140.7 151.44 44.54 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 122.52 0.328 . . . . 0.0 111.359 171.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -115.25 -1.2 12.99 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.194 1.398 . . . . 0.0 112.457 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.251 0 O-C-N 120.804 -1.185 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.409 ' HA3' ' HG2' ' A' ' 56' ' ' GLU . . . . . . . . 0 N--CA 1.473 1.111 0 CA-C-O 121.291 0.384 . . . . 0.0 112.589 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -146.19 163.78 34.32 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 124.001 0.921 . . . . 0.0 111.987 -174.165 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -100.14 139.47 35.77 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 123.339 0.656 . . . . 0.0 109.686 169.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.8 t -138.56 164.58 29.08 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.506 1.523 . . . . 0.0 110.968 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -79.72 148.8 31.39 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 123.511 0.725 . . . . 0.0 110.823 172.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -139.05 96.67 3.15 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.488 0.661 . . . . 0.0 111.364 173.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -55.68 -19.41 10.65 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 114.652 1.352 . . . . 0.0 114.652 177.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.94 -11.94 60.02 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 173.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.3 m -119.84 -12.76 9.15 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.825 1.65 . . . . 0.0 111.058 171.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.1 mttm 49.88 48.97 21.04 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 127.288 2.235 . . . . 0.0 110.727 -172.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 99.7 m -151.38 172.55 15.75 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.629 1.172 . . . . 0.0 109.814 -177.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 95.5 m95 -100.01 114.08 27.13 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.68 1.592 . . . . 0.0 109.903 176.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.7 t -117.3 160.94 20.31 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 126.031 1.733 . . . . 0.0 112.385 -170.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 68.3 t-105 -99.88 139.06 36.09 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.595 1.558 . . . . 0.0 110.645 -170.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 13.9 m -129.79 126.61 38.53 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 124.332 1.053 . . . . 0.0 109.812 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.409 ' HG2' ' HA3' ' A' ' 41' ' ' GLY . 0.0 OUTLIER -144.53 168.67 19.59 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 126.949 2.1 . . . . 0.0 109.54 -176.191 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 O-C-N 120.439 -1.413 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.016 0 CA-C-O 119.571 -0.572 . . . . 0.0 111.916 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -122.76 166.43 14.95 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 117.767 0.783 . . . . 0.0 111.23 170.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -93.01 125.17 37.47 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 107.824 -1.176 . . . . 0.0 107.824 169.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.3 m -109.74 163.42 13.52 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 127.857 2.463 . . . . 0.0 109.855 174.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 65.6 t-105 -101.38 116.24 32.33 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.703 1.201 . . . . 0.0 112.425 -169.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -100.98 86.46 3.06 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 123.662 1.696 . . . . 0.0 110.083 177.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -59.24 -14.47 11.08 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.981 1.713 . . . . 0.0 114.226 170.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.49 -25.07 65.78 Favored 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 119.018 0.826 . . . . 0.0 112.989 171.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.2 p -136.61 -5.71 1.98 Allowed 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.596 1.332 . . . . 0.0 114.596 174.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 12.4 mptt 69.81 56.59 0.33 Allowed 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 128.102 2.561 . . . . 0.0 112.064 -177.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 13.9 t -139.64 174.0 10.96 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 125.186 1.394 . . . . 0.0 110.39 178.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -98.3 147.56 24.53 Favored 'General case' 0 CA--C 1.553 1.083 0 N-CA-C 109.033 -0.729 . . . . 0.0 109.033 169.047 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.7 t -134.58 153.45 51.95 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 127.675 2.39 . . . . 0.0 109.773 179.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.7 t-105 -88.92 146.01 25.18 Favored 'General case' 0 CA--C 1.534 0.36 0 O-C-N 121.089 -1.007 . . . . 0.0 111.898 -174.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.1 m -125.66 101.66 6.99 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 127.504 2.321 . . . . 0.0 108.606 -170.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -138.13 177.01 8.2 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.139 1.776 . . . . 0.0 111.42 176.314 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 O-C-N 120.589 -1.319 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.0 0 N-CA-C 111.475 -0.65 . . . . 0.0 111.475 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -138.47 170.61 15.71 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 125.278 1.431 . . . . 0.0 112.383 -178.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.2 m95 -97.63 136.21 38.34 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.505 0.722 . . . . 0.0 110.137 169.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.0 p -127.15 154.79 44.33 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 127.863 2.465 . . . . 0.0 110.036 -176.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 65.1 t-105 -95.62 137.75 34.25 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 121.261 -0.9 . . . . 0.0 111.496 177.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -125.15 83.6 2.18 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.123 1.369 . . . . 0.0 111.488 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 53.1 p30 -49.62 -40.82 40.49 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.164 2.186 . . . . 0.0 115.382 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -55.21 -22.64 18.56 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 175.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 51.2 p -123.17 5.1 9.21 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 128.215 2.606 . . . . 0.0 111.867 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.9 mtmt 34.63 47.87 0.26 Allowed 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 127.961 2.504 . . . . 0.0 113.874 -169.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -138.99 173.79 11.19 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 178.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 94.4 m95 -97.74 131.51 44.2 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 124.371 1.068 . . . . 0.0 110.174 176.587 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.7 p -119.82 161.81 20.16 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 127.761 2.425 . . . . 0.0 110.972 -173.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 40.6 t-105 -108.46 138.89 44.02 Favored 'General case' 0 C--O 1.233 0.235 0 C-N-CA 123.457 0.703 . . . . 0.0 109.677 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.3 m -141.05 123.64 16.0 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.343 0.657 . . . . 0.0 111.096 -169.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -132.08 -63.52 0.81 Allowed 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 125.859 1.664 . . . . 0.0 110.34 -171.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.203 0 O-C-N 121.393 -0.817 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.05 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -149.66 166.42 29.37 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 125.025 1.33 . . . . 0.0 111.226 -170.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -94.95 140.77 29.48 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 122.008 -0.432 . . . . 0.0 109.95 169.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 t -131.4 146.43 52.26 Favored 'General case' 0 C--O 1.234 0.279 0 C-N-CA 123.873 0.869 . . . . 0.0 108.831 169.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . . . . . . . . . 71.0 t-105 -81.06 140.57 35.03 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 175.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -129.56 83.73 2.16 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 123.23 1.491 . . . . 0.0 107.645 -169.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.98 -16.94 34.54 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 126.7 2.0 . . . . 0.0 113.57 -178.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -75.99 -6.95 53.37 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 125.247 1.419 . . . . 0.0 113.214 173.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.4 t -137.0 -10.91 1.74 Allowed 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.333 1.453 . . . . 0.0 112.976 169.345 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 47.4 mttm 59.15 44.59 15.63 Favored 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 126.732 2.013 . . . . 0.0 112.215 -178.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 54.4 p -134.77 176.86 8.26 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 127.722 2.409 . . . . 0.0 110.2 171.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TRP . . . . . . . . . . . . . 87.7 m95 -95.51 139.01 32.39 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 122.021 0.915 . . . . 0.0 110.687 169.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 20.9 m -117.65 121.77 41.78 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 127.014 2.126 . . . . 0.0 108.532 -171.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 74.6 t-105 -79.57 135.63 36.65 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 172.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -127.2 106.67 9.4 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 125.653 1.581 . . . . 0.0 108.716 -179.541 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.26 166.2 22.42 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 123.522 0.729 . . . . 0.0 110.799 169.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.46 0 O-C-N 121.399 -0.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_