data_2lze_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 2lze _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.459 0.227 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -67.04 -45.37 77.64 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -53.95 -33.45 56.88 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 124.288 0.993 . . . . 0.0 113.522 -179.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.3 mt -116.49 108.93 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.0 t -67.3 118.7 11.03 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.07 -8.36 52.85 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.848 -177.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.2 mt -95.38 -74.64 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 O-C-N 124.46 1.1 . . . . 0.0 111.522 -177.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 21.6 p -97.3 -17.67 19.64 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -176.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.09 21.96 72.43 Favored Glycine 0 CA--C 1.525 0.719 0 CA-C-O 118.053 -1.415 . . . . 0.0 113.499 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -162.8 12.37 0.07 Allowed 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 120.308 2.054 . . . . 0.0 113.389 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -100.09 0.5 40.85 Favored 'General case' 0 N--CA 1.505 2.305 0 CA-C-N 118.791 0.723 . . . . 0.0 110.595 175.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.51 -73.09 0.05 Allowed 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.565 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -58.61 -49.66 76.69 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.224 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -78.75 -156.29 0.1 Allowed 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.203 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -105.89 161.19 14.67 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 124.162 0.914 . . . . 0.0 112.138 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -74.03 78.01 1.71 Allowed 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.752 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -111.69 -40.34 4.34 Favored 'General case' 0 CA--C 1.516 -0.349 0 O-C-N 124.821 1.326 . . . . 0.0 110.81 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 p -85.68 -13.35 48.8 Favored 'General case' 0 CA--C 1.515 -0.367 0 O-C-N 124.121 0.888 . . . . 0.0 109.335 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -67.74 -38.9 84.14 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.23 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 35.1 mmm -65.33 -41.63 93.76 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.2 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -79.41 142.61 35.8 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.774 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.4 mt -78.21 131.9 37.34 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.804 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.9 p -75.55 -18.36 59.8 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.242 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -60.46 -43.54 96.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.7 p -63.49 -34.94 78.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.804 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -159.72 103.23 1.53 Allowed 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.574 0.546 . . . . 0.0 110.521 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -72.08 141.5 49.23 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.948 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.76 139.19 57.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.012 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -77.14 127.62 32.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.261 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -71.46 135.07 47.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.024 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -77.96 105.83 9.41 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.625 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 94.3 m -65.35 -40.12 93.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.544 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -67.51 142.42 56.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.952 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.9 p -160.05 160.85 33.68 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.395 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -160.21 146.75 15.76 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 69.26 -9.61 0.6 Allowed 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.258 0.623 . . . . 0.0 112.627 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 41.18 86.34 0.02 OUTLIER 'General case' 0 C--N 1.348 0.503 0 C-N-CA 124.057 0.943 . . . . 0.0 113.05 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -44.54 162.12 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -178.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.6 m -59.95 -40.53 89.32 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.645 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -116.72 -88.15 0.6 Allowed 'General case' 0 C--N 1.346 0.439 0 O-C-N 124.454 1.096 . . . . 0.0 110.338 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 pp -161.67 12.28 0.08 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.239 0.542 . . . . 0.0 110.941 -178.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -71.63 125.28 26.68 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -65.08 -48.94 71.98 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 -174.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -70.56 -22.16 62.62 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -176.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -61.69 -21.38 64.41 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.078 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -59.42 -41.72 90.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.037 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -80.83 -56.43 4.13 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.198 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -143.09 123.17 13.63 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 124.584 1.178 . . . . 0.0 109.018 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -54.45 137.72 41.82 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 123.842 0.714 . . . . 0.0 111.948 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.6 34.74 5.06 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 124.926 1.391 . . . . 0.0 110.782 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.8 mt -66.56 1.86 1.55 Allowed 'General case' 0 CA--C 1.55 0.958 0 O-C-N 120.914 -1.117 . . . . 0.0 111.884 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.63 -36.41 76.12 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 121.97 -0.456 . . . . 0.0 111.917 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.8 pt -65.98 -53.41 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 120.135 -0.626 . . . . 0.0 111.27 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -55.99 -45.15 79.1 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.23 0.468 . . . . 0.0 111.464 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.2 m80 . . . . . 0 C--N 1.331 -0.209 0 CA-C-O 120.89 0.376 . . . . 0.0 110.434 179.749 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 -0.131 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -71.9 -49.75 35.19 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.69 -29.41 18.11 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -177.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.5 mt -112.19 119.79 60.98 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.561 0 O-C-N 124.674 1.234 . . . . 0.0 109.726 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.7 t -76.33 149.78 36.98 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 177.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.68 -12.82 60.01 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.0 mt -114.34 -74.96 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 O-C-N 124.745 1.278 . . . . 0.0 111.146 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -67.75 -15.76 63.79 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.031 -176.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.79 -18.16 36.48 Favored Glycine 0 CA--C 1.529 0.936 0 CA-C-O 118.13 -1.372 . . . . 0.0 113.317 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -166.4 21.4 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 119.596 1.698 . . . . 0.0 113.717 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -89.69 -5.04 57.43 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.169 -0.957 . . . . 0.0 111.135 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.0 64.98 5.01 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -162.09 -60.63 0.05 OUTLIER 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.872 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.18 -84.21 0.39 Allowed 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.522 1.138 . . . . 0.0 111.954 -177.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -110.93 164.0 13.24 Favored 'General case' 0 CA--C 1.509 -0.614 0 O-C-N 124.4 1.063 . . . . 0.0 109.516 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -129.38 45.56 2.78 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 124.967 1.417 . . . . 0.0 109.447 -178.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -87.06 -35.23 18.84 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.871 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.2 p -79.8 -6.22 56.9 Favored 'General case' 0 C--O 1.224 -0.255 0 O-C-N 123.387 0.429 . . . . 0.0 110.637 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.64 -34.35 77.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.078 0.466 . . . . 0.0 110.173 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 47.3 mtp -65.13 -42.58 93.74 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.153 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -86.36 140.67 29.81 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 123.744 0.652 . . . . 0.0 110.546 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.3 mt -90.91 17.49 7.78 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 123.684 0.615 . . . . 0.0 109.746 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.0 p -81.76 157.27 24.58 Favored 'General case' 0 C--O 1.233 0.22 0 O-C-N 123.801 0.688 . . . . 0.0 109.89 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -82.49 136.22 34.94 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.872 0.732 . . . . 0.0 110.816 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.0 m -63.15 -49.39 74.54 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.734 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -84.78 109.22 17.91 Favored 'General case' 0 C--N 1.344 0.333 0 O-C-N 123.976 0.797 . . . . 0.0 109.984 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -64.1 -45.16 89.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.067 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -67.95 132.24 46.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.356 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -62.25 -47.36 84.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.963 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -76.88 134.17 39.07 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.862 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -81.58 86.66 6.34 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.734 0.646 . . . . 0.0 110.951 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.6 t -75.95 109.46 9.6 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.956 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -80.29 116.47 20.39 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.652 0.595 . . . . 0.0 109.862 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.3 t -76.67 -79.57 0.11 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.934 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -79.27 140.92 37.47 Favored 'General case' 0 C--N 1.342 0.252 0 CA-C-O 121.01 0.433 . . . . 0.0 110.519 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -72.7 -17.29 61.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.431 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -64.79 -42.87 94.73 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.21 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -49.07 141.52 7.89 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 124.212 0.945 . . . . 0.0 110.869 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -161.46 20.35 0.12 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.673 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -143.7 21.39 1.82 Allowed 'General case' 0 N--CA 1.474 0.765 0 O-C-N 123.972 0.795 . . . . 0.0 110.715 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 56.23 13.63 1.29 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.432 0.693 . . . . 0.0 111.336 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.7 t -90.51 118.15 29.75 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.492 -1.231 . . . . 0.0 108.789 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -67.81 -37.53 82.09 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 114.801 -1.09 . . . . 0.0 113.151 -176.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -76.09 -24.15 55.02 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -177.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -62.18 -23.33 66.55 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.621 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -56.22 -39.45 72.53 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.266 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -90.67 -53.67 4.32 Favored 'General case' 0 CA--C 1.516 -0.357 0 O-C-N 124.038 0.836 . . . . 0.0 111.223 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -137.47 114.8 10.99 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 124.441 1.088 . . . . 0.0 110.48 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -53.95 140.24 31.65 Favored 'General case' 0 C--O 1.236 0.379 0 O-C-N 124.557 1.161 . . . . 0.0 111.151 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -130.28 38.84 3.72 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 124.986 1.428 . . . . 0.0 110.347 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.2 mt -73.51 3.11 6.55 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 121.553 -0.717 . . . . 0.0 110.458 179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.49 -48.04 61.95 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.5 pt -63.0 -42.41 96.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.372 -178.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -58.79 -45.18 90.46 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 85.3 t60 . . . . . 0 N--CA 1.463 0.198 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.25 179.877 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.261 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -63.86 -52.54 59.56 Favored 'General case' 0 C--O 1.212 -0.903 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -48.48 -24.58 1.33 Allowed 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -178.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.1 mm -108.18 114.15 45.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 O-C-N 123.972 0.795 . . . . 0.0 110.183 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.8 t -73.96 150.67 40.63 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.53 -15.38 59.89 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 121.5 -0.08 . . . . 0.0 111.194 -178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.5 mt -114.74 -78.04 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 O-C-N 124.71 1.256 . . . . 0.0 110.636 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.9 m -63.34 -12.57 30.98 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -176.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.17 -18.65 9.5 Favored Glycine 0 C--O 1.217 -0.945 0 CA-C-O 117.861 -1.522 . . . . 0.0 113.34 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -165.88 18.54 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -94.19 6.89 47.19 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 118.567 0.621 . . . . 0.0 111.65 177.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.54 63.71 5.95 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.79 0.805 . . . . 0.0 109.147 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -173.78 -9.12 0.01 OUTLIER 'General case' 0 C--O 1.237 0.415 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.218 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -149.6 -129.84 0.05 Allowed 'General case' 0 CA--C 1.549 0.912 0 O-C-N 123.042 0.214 . . . . 0.0 111.536 -178.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -65.29 134.48 53.7 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 122.239 -0.288 . . . . 0.0 110.385 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -104.41 40.51 1.46 Allowed 'General case' 0 C--N 1.345 0.374 0 O-C-N 124.488 1.118 . . . . 0.0 109.702 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -83.08 -31.45 27.3 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.881 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.9 p -77.84 -13.04 60.01 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.6 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -64.94 -42.63 94.48 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.413 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.3 mtm -71.45 -43.81 65.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -82.47 174.09 11.4 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.568 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.8 mt -109.39 125.18 52.12 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 124.288 0.993 . . . . 0.0 108.782 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.1 p -80.35 163.67 23.72 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.757 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -82.05 138.59 34.81 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.643 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 82.0 m -63.48 -46.31 86.75 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.322 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -82.39 88.54 6.57 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.697 0.623 . . . . 0.0 110.451 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.8 mtm-85 -78.86 133.41 36.99 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.706 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -84.07 108.8 17.22 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 123.813 0.696 . . . . 0.0 110.335 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -88.67 127.82 35.59 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.88 0.738 . . . . 0.0 110.099 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -73.89 134.14 43.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.144 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -64.49 -40.97 96.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 t -72.49 112.71 8.79 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.469 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -131.9 113.34 13.34 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 124.403 1.064 . . . . 0.0 109.643 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.4 t -62.97 -44.25 96.56 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.98 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -146.82 134.92 21.56 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 124.186 0.929 . . . . 0.0 109.843 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -82.91 19.44 1.37 Allowed 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.565 0.541 . . . . 0.0 111.132 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -62.13 -48.15 81.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.842 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.43 15.08 0.25 Allowed 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.231 0.539 . . . . 0.0 109.973 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -60.13 -47.28 86.58 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.067 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -67.18 -53.74 27.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.783 0.325 . . . . 0.0 111.461 -178.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.7 mt -60.87 -68.42 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.515 -178.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 22.8 t -91.02 113.53 25.81 Favored 'General case' 0 C--N 1.339 0.146 0 O-C-N 123.969 0.793 . . . . 0.0 109.262 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -70.4 -34.87 73.05 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.849 -178.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.67 -27.88 62.37 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -177.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.77 -24.63 65.91 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.828 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -54.74 -45.27 74.11 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.084 -177.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -80.19 -51.25 9.18 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.53 0.519 . . . . 0.0 111.446 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -139.52 113.56 8.8 Favored 'General case' 0 C--O 1.219 -0.55 0 O-C-N 124.376 1.047 . . . . 0.0 109.169 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.3 mmtt -53.14 138.66 30.85 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 124.266 0.979 . . . . 0.0 111.379 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.54 16.93 11.26 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 124.924 1.39 . . . . 0.0 110.088 179.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.6 mt -59.4 -1.3 0.21 Allowed 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.05 -45.13 94.92 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 121.939 -0.476 . . . . 0.0 110.835 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -58.63 -70.87 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.331 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -73.18 123.52 23.81 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 117.972 0.351 . . . . 0.0 110.453 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 . . . . . 0 C--N 1.331 -0.199 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.189 179.869 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.736 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -59.23 138.1 57.72 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-O 121.694 0.759 . . . . 0.0 109.494 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -59.44 -53.28 59.98 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 114.233 -1.349 . . . . 0.0 112.788 -176.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.0 mp -99.17 120.58 48.69 Favored 'Isoleucine or valine' 0 C--N 1.346 0.445 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.2 t -70.32 144.54 51.66 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.68 -8.28 53.15 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -176.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.8 mt -118.64 -74.76 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 124.5 1.125 . . . . 0.0 111.23 -177.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -71.05 -28.33 64.29 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.452 -176.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.72 -23.4 16.82 Favored Glycine 0 CA--C 1.525 0.689 0 O-C-N 124.113 0.883 . . . . 0.0 111.621 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -146.5 16.55 1.3 Allowed 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 -177.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.437 HD22 ' H ' ' A' ' 33' ' ' THR . 2.4 m-20 -77.66 -40.76 40.6 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 118.924 0.784 . . . . 0.0 110.099 177.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.13 -34.73 32.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 124.655 1.222 . . . . 0.0 109.354 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -75.14 -54.43 7.15 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.459 177.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -95.35 -134.3 0.2 Allowed 'General case' 0 N--CA 1.483 1.22 0 O-C-N 124.043 0.839 . . . . 0.0 111.856 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -73.28 173.15 9.91 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 117.994 0.361 . . . . 0.0 110.65 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -128.14 46.88 2.5 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 124.284 0.99 . . . . 0.0 109.826 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -102.64 -28.71 11.97 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.914 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.437 ' H ' HD22 ' A' ' 26' ' ' ASN . 3.1 p -83.29 -6.37 59.45 Favored 'General case' 0 N--CA 1.471 0.575 0 O-C-N 123.575 0.547 . . . . 0.0 109.883 -179.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.44 -37.88 85.15 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.904 178.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 35.3 mtm -65.96 -41.67 90.94 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -156.18 137.78 14.14 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.51 0.506 . . . . 0.0 110.551 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.22 126.44 30.62 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 32.2 m -83.57 121.85 27.79 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.752 0.658 . . . . 0.0 109.708 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -79.45 131.86 36.2 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.337 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.8 t -156.74 148.28 22.46 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.652 0.595 . . . . 0.0 110.466 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -81.0 85.07 6.33 Favored 'General case' 0 N--CA 1.462 0.168 0 O-C-N 123.759 0.662 . . . . 0.0 110.368 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -73.23 132.35 43.07 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.746 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.5 p-10 -67.77 135.11 52.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.486 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -61.72 -48.01 82.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.658 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -68.34 127.31 32.49 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.508 HD22 HH12 ' A' ' 61' ' ' ARG . 10.8 t-20 -78.96 129.3 34.33 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.53 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.9 m -65.49 -42.72 91.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.125 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -138.92 149.95 45.37 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 124.215 0.947 . . . . 0.0 109.712 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.7 p -159.94 156.63 27.51 Favored 'General case' 0 N--CA 1.463 0.176 0 O-C-N 123.438 0.462 . . . . 0.0 110.614 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -149.36 150.28 32.21 Favored 'General case' 0 N--CA 1.464 0.237 0 O-C-N 124.09 0.869 . . . . 0.0 109.431 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -92.16 -11.71 34.82 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 124.014 0.821 . . . . 0.0 110.952 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt -63.77 -40.36 96.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.797 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 10.4 t -96.21 146.9 24.3 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 123.767 0.667 . . . . 0.0 110.977 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.5 m -57.95 -1.31 0.11 Allowed 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 75.08 -11.94 1.01 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.544 1.138 . . . . 0.0 111.85 179.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.22 -53.14 57.74 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.7 t -93.61 126.78 38.96 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 124.2 0.937 . . . . 0.0 108.821 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -73.34 -40.62 64.3 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -176.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -74.1 -24.97 59.54 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -177.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.4 m -64.18 -20.71 66.2 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.287 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.508 HH12 HD22 ' A' ' 46' ' ' ASN . 99.6 mtt180 -57.58 -36.23 71.42 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.236 -177.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -90.38 -53.9 4.24 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.932 0.77 . . . . 0.0 111.935 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -140.67 115.87 9.91 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 124.293 0.996 . . . . 0.0 109.662 -178.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -50.08 144.5 6.85 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 124.184 0.928 . . . . 0.0 112.562 -178.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.76 26.69 6.6 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.795 1.309 . . . . 0.0 110.99 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.4 mt -63.95 2.69 0.48 Allowed 'General case' 0 CA--C 1.554 1.098 0 O-C-N 120.965 -1.085 . . . . 0.0 112.416 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.23 -39.9 65.1 Favored 'General case' 0 N--CA 1.454 -0.271 0 O-C-N 122.063 -0.398 . . . . 0.0 111.993 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.9 pt -62.13 -63.22 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.74 0 C-N-CA 120.098 -0.641 . . . . 0.0 111.237 -178.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -64.84 128.69 36.84 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 118.809 0.731 . . . . 0.0 110.316 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 . . . . . 0 C--N 1.333 -0.142 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.215 179.588 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.165 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -72.74 -48.14 41.03 Favored 'General case' 0 C--O 1.208 -1.118 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -54.62 -35.07 63.02 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -178.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.8 mm -110.14 117.38 54.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 O-C-N 124.333 1.02 . . . . 0.0 109.594 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.0 t -69.42 139.45 54.06 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.883 178.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.17 -11.18 60.02 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.914 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.8 mt -109.54 -72.3 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 O-C-N 124.416 1.072 . . . . 0.0 110.65 -178.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.4 m -66.22 -16.98 64.45 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.88 -177.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.88 -8.84 13.24 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.841 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -155.25 15.15 0.39 Allowed 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -97.39 -130.8 0.19 Allowed 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 118.412 0.551 . . . . 0.0 109.709 176.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 48.26 59.54 4.22 Favored 'General case' 0 C--N 1.35 0.588 0 C-N-CA 123.506 0.722 . . . . 0.0 111.409 177.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -159.11 -30.8 0.07 Allowed 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.055 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -145.45 -95.9 0.1 Allowed 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.554 0.534 . . . . 0.0 111.99 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -90.61 131.39 36.35 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 122.746 0.418 . . . . 0.0 110.654 -178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -93.83 47.65 1.23 Allowed 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.995 0.81 . . . . 0.0 109.964 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -83.42 -31.72 26.49 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.234 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.6 p -78.15 -13.45 59.86 Favored 'General case' 0 C--N 1.333 -0.122 0 O-C-N 123.446 0.466 . . . . 0.0 110.427 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -71.93 -6.58 42.95 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.053 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.7 mtp -122.91 152.44 40.8 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 124.538 1.149 . . . . 0.0 110.031 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -76.76 98.93 4.94 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.244 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 69.4 mt -76.85 145.92 38.06 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.799 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.0 m -63.64 -46.5 85.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.243 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -83.33 83.0 8.03 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.726 0.642 . . . . 0.0 110.769 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.4 p -68.97 -36.97 78.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.695 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -80.28 112.85 18.0 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.631 0.582 . . . . 0.0 110.156 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -128.34 104.3 7.64 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 124.545 1.153 . . . . 0.0 109.741 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -76.46 114.2 14.9 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.789 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -84.75 141.68 30.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.551 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.83 -43.34 93.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.465 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 53.98 33.98 18.64 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.968 0.793 . . . . 0.0 110.742 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.3 m -63.56 -47.66 80.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.224 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -136.6 138.56 41.32 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 124.211 0.944 . . . . 0.0 109.315 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.0 t -164.73 152.92 12.12 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.897 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -147.65 151.78 36.76 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 124.099 0.875 . . . . 0.0 109.185 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -110.47 10.88 23.2 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 123.952 0.782 . . . . 0.0 110.168 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.93 -43.41 98.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.925 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 6.8 m -78.4 -147.01 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.316 0 O-C-N 123.376 0.423 . . . . 0.0 110.222 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.9 m -86.15 83.51 7.72 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.33 0.652 . . . . 0.0 109.958 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -44.73 -31.84 1.32 Allowed 'General case' 0 N--CA 1.478 0.938 0 O-C-N 124.428 1.08 . . . . 0.0 111.714 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.8 mt -61.17 -47.41 86.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.559 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.1 t -91.15 116.12 28.56 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 123.882 0.739 . . . . 0.0 109.086 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -66.02 -36.36 83.07 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -176.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.68 -26.21 54.53 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -177.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -62.09 -22.53 65.86 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.981 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -57.45 -35.84 70.63 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.967 -178.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -89.04 -54.62 4.04 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.929 0.768 . . . . 0.0 111.361 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -142.69 118.06 10.25 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 124.222 0.951 . . . . 0.0 109.888 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.8 mmtt -51.57 135.59 27.95 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.858 0.724 . . . . 0.0 112.202 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.43 30.86 6.88 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 124.892 1.37 . . . . 0.0 110.114 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.1 mt -67.63 1.5 2.39 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.635 -0.666 . . . . 0.0 111.935 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.96 -52.04 65.62 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.3 pt -58.06 -55.97 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 120.261 -0.575 . . . . 0.0 111.56 -177.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -56.65 -40.56 75.67 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 118.105 0.411 . . . . 0.0 111.123 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 . . . . . 0 N--CA 1.473 0.683 0 O-C-N 123.893 0.745 . . . . 0.0 110.748 -179.903 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.381 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.32 -51.28 58.92 Favored 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.95 -24.16 15.5 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -177.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.4 mt -113.55 113.16 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 O-C-N 124.266 0.979 . . . . 0.0 109.025 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.6 t -71.99 149.46 44.97 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.89 -11.38 59.81 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.3 mt -116.14 -78.68 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 124.776 1.297 . . . . 0.0 109.819 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.0 m -63.19 -14.82 53.43 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -176.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.23 -25.4 7.96 Favored Glycine 0 CA--C 1.525 0.682 0 CA-C-O 118.486 -1.175 . . . . 0.0 113.12 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.6 p30 -166.54 17.66 0.03 OUTLIER 'General case' 0 CA--C 1.559 1.298 0 CA-C-N 119.187 1.494 . . . . 0.0 114.048 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -96.55 14.37 24.95 Favored 'General case' 0 N--CA 1.5 2.052 0 CA-C-O 121.485 0.66 . . . . 0.0 110.881 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.96 -61.39 2.61 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.337 -1.301 . . . . 0.0 108.013 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -2.08 -71.98 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 O-C-N 126.295 2.247 . . . . 0.0 114.235 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -156.1 -45.67 0.08 Allowed 'General case' 0 N--CA 1.475 0.807 0 O-C-N 123.867 0.729 . . . . 0.0 111.214 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -74.03 78.29 1.7 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.695 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -84.35 41.05 0.81 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.388 0.613 . . . . 0.0 109.828 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -83.69 -33.83 25.08 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.495 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.4 p -79.62 -9.04 59.57 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.659 0.599 . . . . 0.0 110.807 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -65.87 -18.04 65.07 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.665 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 34.3 mmm -81.01 138.92 36.03 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.721 0.638 . . . . 0.0 110.027 179.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -79.69 93.32 5.52 Favored 'General case' 0 N--CA 1.463 0.217 0 O-C-N 123.579 0.549 . . . . 0.0 111.219 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 mt -117.04 118.26 31.9 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 124.371 1.044 . . . . 0.0 109.468 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.5 p -73.52 -26.2 60.77 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.441 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -60.99 -44.66 97.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.151 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.7 p -74.4 80.34 1.89 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.538 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -73.78 142.05 46.23 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.285 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.7 mtp85 -71.5 142.31 50.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.04 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -69.06 132.11 46.1 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.057 0.456 . . . . 0.0 110.007 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -64.71 -44.35 90.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.011 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.72 -43.95 95.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.617 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.0 t30 54.58 39.21 31.02 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.902 0.751 . . . . 0.0 111.2 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.9 t -74.08 131.47 41.36 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.81 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -67.51 140.75 57.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.409 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 38.4 t -62.48 -42.55 99.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -157.59 173.47 16.81 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 123.494 0.496 . . . . 0.0 110.013 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -131.26 32.24 4.27 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 124.11 0.881 . . . . 0.0 111.26 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.72 -48.6 76.41 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.857 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -169.59 164.25 10.26 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.114 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 57.1 m 35.59 70.09 0.16 Allowed 'General case' 0 C--N 1.355 0.834 0 O-C-N 124.934 1.396 . . . . 0.0 112.258 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -56.24 -26.46 51.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.878 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.66 -47.87 81.8 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 24.4 t -94.12 111.77 23.52 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 124.283 0.99 . . . . 0.0 109.787 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -68.46 -36.11 78.54 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.753 -177.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.94 -26.2 60.37 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -177.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -61.18 -26.65 67.86 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.332 0.586 . . . . 0.0 110.054 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.61 -38.27 84.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.836 -177.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -88.74 -52.85 4.91 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.856 0.723 . . . . 0.0 111.539 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -137.11 116.15 12.42 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 124.394 1.059 . . . . 0.0 109.639 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -54.38 133.96 45.46 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 123.808 0.692 . . . . 0.0 111.526 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -123.51 18.1 9.66 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 125.054 1.471 . . . . 0.0 111.078 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.49 2.16 0.11 Allowed 'General case' 0 CA--C 1.554 1.132 0 O-C-N 121.045 -1.034 . . . . 0.0 113.086 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.28 -42.18 79.93 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 121.611 -0.681 . . . . 0.0 111.185 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 pt -59.71 -69.39 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.365 -178.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -76.09 127.97 34.04 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 118.022 0.374 . . . . 0.0 110.755 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 75.6 m80 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.665 -179.885 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.555 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -72.46 -47.47 48.61 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 178.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -62.37 -51.23 68.4 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.001 -0.679 . . . . 0.0 112.284 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.3 mp -105.05 124.1 59.56 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 O-C-N 123.59 0.556 . . . . 0.0 110.758 -177.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 t -81.69 144.1 31.4 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 177.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.11 -11.23 56.64 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -176.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.2 mt -116.74 -70.8 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 O-C-N 124.563 1.164 . . . . 0.0 111.801 -177.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -79.0 -27.73 43.32 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -176.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.98 -9.18 57.88 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-O 119.011 -0.883 . . . . 0.0 112.196 -178.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -148.03 16.22 1.07 Allowed 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 -177.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.46 -38.76 21.41 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 118.935 0.788 . . . . 0.0 109.914 177.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.89 -33.91 67.35 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.307 -177.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -81.21 -40.61 23.58 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.216 177.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -108.02 -136.85 0.36 Allowed 'General case' 0 N--CA 1.486 1.345 0 O-C-N 124.362 1.039 . . . . 0.0 113.082 -177.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -68.25 -168.46 0.11 Allowed 'General case' 0 N--CA 1.474 0.748 0 O-C-N 122.171 -0.33 . . . . 0.0 111.539 -178.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -138.15 25.86 2.7 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 123.613 0.571 . . . . 0.0 110.902 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -96.48 -14.43 22.35 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 124.292 0.995 . . . . 0.0 111.284 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.9 p -79.32 -17.47 54.51 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 123.541 0.525 . . . . 0.0 110.804 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -67.76 -18.25 64.81 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.2 mmm -65.32 -41.94 93.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.694 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -85.87 113.96 22.42 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.934 0.771 . . . . 0.0 111.072 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.6 mt -72.54 148.48 44.95 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.0 p -139.58 162.84 34.11 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 124.415 1.072 . . . . 0.0 110.308 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -75.11 167.42 21.96 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.513 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.5 m -61.7 -45.62 93.2 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -79.98 103.0 9.56 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.525 0.516 . . . . 0.0 110.513 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -74.47 136.61 42.27 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.746 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -79.13 110.02 13.99 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 123.554 0.534 . . . . 0.0 110.591 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -80.24 137.74 36.69 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.446 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -70.6 133.12 46.42 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -63.6 -42.26 98.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.257 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 38.1 t -74.57 86.56 2.1 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.459 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -78.15 124.03 27.58 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.817 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.8 t -67.37 -46.68 72.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.525 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -153.11 155.31 36.53 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 123.986 0.804 . . . . 0.0 110.313 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -109.37 5.58 23.63 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 124.631 1.207 . . . . 0.0 110.155 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.78 -31.81 72.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.887 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 61.7 m -102.59 168.09 9.5 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 124.068 0.855 . . . . 0.0 111.637 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 84.9 p -59.1 -13.26 6.45 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.13 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t70 74.17 -8.15 1.5 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.225 1.01 . . . . 0.0 111.922 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.17 -48.93 76.29 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.4 t -93.43 127.57 39.11 Favored 'General case' 0 C--N 1.341 0.23 0 O-C-N 124.484 1.115 . . . . 0.0 108.653 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -72.74 -39.28 67.01 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -177.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.87 -25.75 59.19 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -177.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.4 m -61.92 -26.18 68.02 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.817 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -54.67 -35.02 63.12 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.804 0.69 . . . . 0.0 111.176 -178.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -91.52 -54.24 3.98 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.992 0.807 . . . . 0.0 111.317 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -144.38 118.11 9.25 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 124.086 0.866 . . . . 0.0 110.123 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.9 mmtt -49.2 143.75 5.78 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 124.139 0.9 . . . . 0.0 112.809 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.46 24.65 6.67 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 124.789 1.305 . . . . 0.0 110.567 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.7 mt -67.61 6.43 0.64 Allowed 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.81 -40.48 95.29 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.602 -0.686 . . . . 0.0 110.446 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.4 pt -71.2 -66.46 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 O-C-N 123.548 0.53 . . . . 0.0 111.402 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -72.43 125.41 27.34 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 118.726 0.694 . . . . 0.0 110.452 177.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 . . . . . 0 N--CA 1.462 0.13 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.552 179.694 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 0.072 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -65.6 -49.06 70.13 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.67 -27.01 15.5 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -177.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.9 mt -114.6 118.22 57.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 O-C-N 124.359 1.037 . . . . 0.0 109.768 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.8 t -74.45 148.14 41.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.245 -0.889 . . . . 0.0 108.984 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.36 -10.51 59.46 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.3 mm -117.37 -72.88 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 O-C-N 124.714 1.259 . . . . 0.0 112.12 -177.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.82 -21.82 62.41 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -176.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.47 -15.61 61.94 Favored Glycine 0 CA--C 1.529 0.964 0 CA-C-O 118.466 -1.186 . . . . 0.0 113.547 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.7 p-10 -163.83 24.88 0.08 Allowed 'General case' 0 N--CA 1.485 1.286 0 CA-C-N 119.407 1.604 . . . . 0.0 113.963 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.5 -13.26 32.48 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 118.506 0.594 . . . . 0.0 111.503 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.68 64.12 3.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.204 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -157.12 -32.63 0.08 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.237 -1.347 . . . . 0.0 110.341 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -159.25 -83.01 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.182 0.301 . . . . 0.0 111.354 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -74.46 139.11 43.7 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -130.13 34.79 4.18 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 124.668 1.23 . . . . 0.0 108.188 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -82.78 -32.51 27.69 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.964 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.1 p -79.63 -6.53 57.29 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.421 0.451 . . . . 0.0 111.022 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -66.5 -18.36 65.32 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.624 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 57.4 mtp -80.64 133.76 35.78 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.682 0.614 . . . . 0.0 109.842 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -79.86 96.12 6.25 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.58 0.55 . . . . 0.0 110.605 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.4 mt -126.23 101.17 6.63 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 124.45 1.094 . . . . 0.0 109.889 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.4 p -69.99 -32.95 71.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.272 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -60.69 -44.69 96.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.218 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.7 m -61.22 127.77 33.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.212 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -81.17 169.03 17.89 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.463 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -64.41 99.95 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.238 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -87.3 16.94 4.74 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 123.737 0.648 . . . . 0.0 110.635 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -80.44 141.43 35.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.009 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -127.98 146.02 50.79 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 124.51 1.131 . . . . 0.0 109.856 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -73.49 102.17 3.74 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.658 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -77.13 135.55 38.57 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.136 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -69.76 130.0 41.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.229 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.6 p -78.95 164.09 24.69 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.191 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -159.87 -58.09 0.06 Allowed 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -92.54 -6.65 49.23 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 123.766 0.666 . . . . 0.0 111.175 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 49.58 93.02 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 O-C-N 124.024 0.828 . . . . 0.0 111.657 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.9 p -60.68 -170.07 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.391 0.615 . . . . 0.0 112.41 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.7 m -159.14 17.15 0.18 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.744 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -132.18 13.77 4.67 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 124.074 0.859 . . . . 0.0 111.256 -179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 61.86 10.49 3.54 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.251 1.02 . . . . 0.0 111.528 178.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.3 t -85.28 117.91 24.5 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 114.488 -1.233 . . . . 0.0 108.65 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -67.29 -33.69 75.82 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -176.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -79.55 -24.14 42.33 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -177.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -61.69 -22.62 65.49 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.848 0.356 . . . . 0.0 110.686 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.2 -37.41 77.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.841 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -86.88 -54.48 4.33 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 123.796 0.685 . . . . 0.0 111.193 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -141.1 117.02 10.45 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 124.212 0.945 . . . . 0.0 109.71 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -52.98 138.97 29.04 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 123.982 0.802 . . . . 0.0 111.729 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.62 33.58 5.2 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 124.88 1.363 . . . . 0.0 110.411 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.2 mt -70.17 1.71 4.46 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.73 -0.606 . . . . 0.0 111.537 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.66 -49.3 69.13 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 121.892 -0.505 . . . . 0.0 110.795 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.0 pt -61.8 -47.39 93.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 C-N-CA 120.328 -0.549 . . . . 0.0 112.137 -178.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -63.55 129.68 41.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 118.178 0.444 . . . . 0.0 109.946 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 86.2 t60 . . . . . 0 N--CA 1.463 0.213 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.104 -179.75 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.348 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.04 -54.77 29.01 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -51.6 -25.64 7.31 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -177.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.6 mm -104.66 113.53 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 O-C-N 124.195 0.934 . . . . 0.0 109.704 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.5 t -75.93 150.88 37.44 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.84 -13.52 59.76 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 111.326 0.121 . . . . 0.0 111.326 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.0 mt -114.48 -78.95 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 O-C-N 124.778 1.299 . . . . 0.0 110.255 -178.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.66 -11.77 39.07 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -176.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.99 -21.27 6.96 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 118.525 -1.153 . . . . 0.0 112.83 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -165.66 20.48 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -178.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -94.59 4.02 54.37 Favored 'General case' 0 N--CA 1.5 2.067 0 CA-C-N 118.881 0.764 . . . . 0.0 111.403 176.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.09 64.41 2.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.987 0.899 . . . . 0.0 109.031 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -176.8 -29.39 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.425 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -86.25 -147.79 0.13 Allowed 'General case' 0 N--CA 1.473 0.688 0 O-C-N 123.735 0.647 . . . . 0.0 111.846 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -78.73 -1.19 33.41 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 53.69 47.85 22.86 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 123.525 0.516 . . . . 0.0 111.055 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -88.75 -34.59 17.08 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.582 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 45.1 p -79.31 -9.73 59.65 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.428 0.455 . . . . 0.0 110.498 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.97 -27.84 69.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.464 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.8 mtm -81.05 149.57 29.19 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.853 0.72 . . . . 0.0 109.87 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -79.3 109.08 13.31 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.703 0.627 . . . . 0.0 111.367 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.9 mt -78.2 147.2 34.57 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.624 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.3 m -62.81 -45.24 93.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.283 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -151.51 158.58 43.79 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.894 0.746 . . . . 0.0 109.891 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 29.3 p -139.93 160.78 39.14 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 124.33 1.019 . . . . 0.0 109.842 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -79.76 117.58 20.78 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.662 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.9 mtm-85 -64.23 -39.24 93.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.064 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -76.29 109.75 10.24 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.612 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -80.22 137.19 36.62 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.409 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -74.89 143.07 43.98 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.191 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -76.12 79.09 2.94 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.745 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 81.0 m -81.54 146.67 30.04 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.72 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -71.38 162.94 28.63 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.412 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.6 t -163.81 103.94 0.91 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.202 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -83.23 -6.53 59.51 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.731 0.644 . . . . 0.0 110.766 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 51.07 48.84 22.35 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 123.925 0.766 . . . . 0.0 110.796 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.21 -47.74 83.11 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.008 -178.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 25.0 t -160.22 155.32 24.75 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.8 p 36.92 66.63 0.4 Allowed 'General case' 0 C--N 1.348 0.503 0 O-C-N 125.29 1.619 . . . . 0.0 111.639 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -51.93 -25.81 8.97 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 114.821 -1.082 . . . . 0.0 111.418 -177.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.2 mt -63.79 -40.83 97.6 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.9 t -86.6 111.36 20.55 Favored 'General case' 0 C--N 1.348 0.513 0 N-CA-C 108.507 -0.924 . . . . 0.0 108.507 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -68.58 -32.58 72.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.879 -0.6 . . . . 0.0 112.355 -177.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -74.42 -28.28 61.0 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -177.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.37 -28.49 68.24 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.351 0.596 . . . . 0.0 110.147 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.72 -37.81 85.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.055 -178.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -91.05 -53.78 4.23 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.662 0.601 . . . . 0.0 112.023 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -131.29 114.86 15.54 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 124.591 1.182 . . . . 0.0 109.695 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -58.17 130.14 45.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.14 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.51 11.12 15.84 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 125.233 1.583 . . . . 0.0 111.186 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.4 mt -53.34 -3.2 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -177.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.46 -46.24 89.41 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 121.569 -0.707 . . . . 0.0 110.586 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 pt -60.39 -86.32 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.295 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -70.79 125.38 26.68 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.647 0.26 . . . . 0.0 110.641 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 80.9 m80 . . . . . 0 N--CA 1.462 0.172 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.61 179.81 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.288 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.93 -50.14 67.62 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.73 -24.29 2.24 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.9 mm -106.91 114.54 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 O-C-N 123.937 0.773 . . . . 0.0 110.421 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.8 t -74.93 151.02 38.91 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.48 -15.7 59.83 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 111.295 0.109 . . . . 0.0 111.295 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.1 mt -115.11 -77.91 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 O-C-N 124.743 1.277 . . . . 0.0 110.722 -178.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.41 -11.93 26.93 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -176.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.4 -18.37 8.57 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-O 118.135 -1.37 . . . . 0.0 113.203 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -166.19 18.24 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 119.456 1.628 . . . . 0.0 115.195 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -93.62 6.13 49.29 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-N 118.696 0.68 . . . . 0.0 111.304 177.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.16 64.11 4.88 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.688 0.756 . . . . 0.0 109.08 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -173.4 -11.73 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.242 178.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -147.78 -136.75 0.08 Allowed 'General case' 0 CA--C 1.546 0.818 0 O-C-N 123.373 0.421 . . . . 0.0 111.481 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -59.96 131.97 52.5 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 117.543 0.156 . . . . 0.0 110.714 -178.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -99.48 42.86 1.08 Allowed 'General case' 0 N--CA 1.465 0.296 0 O-C-N 124.535 1.147 . . . . 0.0 109.481 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -79.57 -34.83 40.56 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.248 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.7 p -79.06 -13.46 59.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.786 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -65.76 -34.34 77.96 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.221 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 36.0 mmm -75.42 145.19 41.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.272 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -68.68 140.85 55.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.627 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.7 mt -126.0 146.56 49.83 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 124.654 1.221 . . . . 0.0 109.272 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.3 p -79.93 2.65 22.64 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.598 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -151.85 158.35 43.13 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.915 0.759 . . . . 0.0 109.585 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.9 p -139.56 161.53 37.27 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 124.311 1.007 . . . . 0.0 110.151 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -65.94 137.86 57.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.405 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -64.17 -39.09 93.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.187 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -79.93 107.33 12.63 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.588 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -62.8 -46.22 89.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.756 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -73.88 141.57 46.06 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.31 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -74.06 150.27 40.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.485 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.4 t -73.09 121.85 20.87 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.382 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -77.04 97.28 4.63 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.013 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.6 p -64.47 -44.32 91.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -147.16 150.66 35.38 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 124.03 0.831 . . . . 0.0 109.527 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -79.15 45.54 0.64 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -71.05 -109.8 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 t -152.09 -158.72 0.93 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 t 38.93 48.06 1.33 Allowed 'General case' 0 C--N 1.352 0.689 0 O-C-N 124.427 1.079 . . . . 0.0 111.526 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -47.67 -29.57 3.1 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 114.196 -1.365 . . . . 0.0 111.331 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.5 mt -61.63 -46.43 89.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.415 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 19.7 t -93.33 112.45 24.38 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -70.69 -36.15 73.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.102 -178.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -71.28 -27.55 63.51 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -177.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.2 m -59.5 -25.12 64.2 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.682 0.277 . . . . 0.0 110.886 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -55.79 -43.45 76.85 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.35 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -79.36 -53.55 6.81 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.2 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -140.4 114.91 9.39 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 124.387 1.054 . . . . 0.0 109.238 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -53.02 137.93 31.85 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 124.219 0.949 . . . . 0.0 110.684 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.89 14.69 12.48 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 124.989 1.431 . . . . 0.0 110.283 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.1 mt -57.04 -3.63 0.14 Allowed 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -178.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.8 -43.28 99.22 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.816 -0.552 . . . . 0.0 111.209 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.92 -54.79 29.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.779 -178.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -56.12 -42.37 76.78 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 118.022 0.374 . . . . 0.0 110.658 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 49.2 m80 . . . . . 0 N--CA 1.462 0.152 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.232 179.232 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 0.147 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -68.76 -50.35 51.2 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -48.86 -27.85 3.34 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.18 0.925 . . . . 0.0 113.448 -178.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.5 mt -110.1 112.92 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 O-C-N 124.593 1.183 . . . . 0.0 109.566 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.4 t -69.29 148.54 49.61 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 177.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.85 -12.68 60.21 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.404 0.149 . . . . 0.0 111.404 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.6 mm -116.4 -77.6 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 124.94 1.4 . . . . 0.0 111.38 -178.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -66.3 -9.66 34.97 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -176.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.2 -20.84 5.45 Favored Glycine 0 CA--C 1.521 0.457 0 CA-C-O 118.377 -1.235 . . . . 0.0 113.526 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -167.05 16.74 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 119.458 1.629 . . . . 0.0 114.413 -179.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.474 ' N ' HD21 ' A' ' 26' ' ' ASN . 1.1 m-80 -93.48 7.09 45.92 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 118.225 0.466 . . . . 0.0 110.265 177.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.26 -61.65 1.97 Allowed 'General case' 0 C--O 1.233 0.214 0 O-C-N 124.724 1.265 . . . . 0.0 108.808 -179.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.84 -45.89 80.54 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.415 178.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.09 -175.31 1.14 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.096 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -55.84 138.4 48.32 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.866 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -88.46 40.94 0.99 Allowed 'General case' 0 C--N 1.344 0.344 0 O-C-N 124.034 0.834 . . . . 0.0 110.291 -178.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -82.75 -33.92 27.29 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.173 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.8 p -79.5 -10.71 59.85 Favored 'General case' 0 C--O 1.225 -0.188 0 O-C-N 123.595 0.559 . . . . 0.0 110.761 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.52 -36.64 83.19 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.428 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 63.5 mtt -69.04 -43.0 75.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.752 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -81.23 142.16 33.44 Favored 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.599 0.562 . . . . 0.0 110.84 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.0 mt -93.59 17.37 11.8 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 123.975 0.797 . . . . 0.0 109.736 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.8 p -82.7 163.9 21.04 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.798 0.686 . . . . 0.0 110.439 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -78.44 147.73 33.88 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.331 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.9 m -59.88 127.01 29.8 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.495 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -84.33 119.44 25.09 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.766 0.666 . . . . 0.0 110.802 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -68.89 140.37 55.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.116 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -69.02 137.71 53.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.935 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -62.07 -49.08 77.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.876 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -67.03 131.62 46.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.865 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -150.1 2.75 0.51 Allowed 'General case' 0 N--CA 1.471 0.594 0 O-C-N 123.915 0.759 . . . . 0.0 110.192 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.0 m -61.56 -46.36 90.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 62.8 tt0 -77.41 138.42 39.27 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.77 106.01 0.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.56 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -77.36 -49.71 14.34 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.095 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -163.7 104.28 0.93 Allowed 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.378 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -74.77 67.74 1.64 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.605 0.717 . . . . 0.0 109.483 179.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.406 ' HG ' ' HZ3' ' A' ' 64' ' ' LYS . 13.3 m -70.56 -72.54 0.2 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.515 -178.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 75.8 m -94.34 76.11 3.92 Favored 'General case' 0 C--N 1.342 0.282 0 O-C-N 124.128 0.893 . . . . 0.0 110.685 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -49.13 -27.38 3.42 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 115.025 -0.988 . . . . 0.0 111.708 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 32.0 mt -65.11 -43.99 90.25 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 10.9 t -92.49 112.44 24.39 Favored 'General case' 0 C--N 1.348 0.501 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -68.14 -31.38 70.92 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.413 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -75.12 -29.05 60.44 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.8 -23.91 65.4 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-O 120.672 0.273 . . . . 0.0 110.802 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -57.43 -35.44 70.09 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.873 -178.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -93.57 -52.86 4.29 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.023 0.827 . . . . 0.0 111.521 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -137.78 117.3 12.92 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 124.427 1.079 . . . . 0.0 109.998 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.406 ' HZ3' ' HG ' ' A' ' 53' ' ' CYS . 42.5 mmtt -54.68 137.78 43.22 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.273 0.983 . . . . 0.0 111.183 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.16 22.12 8.72 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 124.943 1.402 . . . . 0.0 110.489 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.6 mt -62.38 1.17 0.37 Allowed 'General case' 0 N--CA 1.481 1.08 0 O-C-N 121.229 -0.92 . . . . 0.0 113.194 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.48 -45.4 69.06 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 121.7 -0.625 . . . . 0.0 110.974 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.3 pt -62.29 -42.83 96.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 120.479 -0.488 . . . . 0.0 111.657 -178.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -58.21 -46.11 86.43 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 117.703 0.229 . . . . 0.0 110.609 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 . . . . . 0 N--CA 1.464 0.247 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.591 179.403 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.515 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -80.11 -50.43 10.33 Favored 'General case' 0 C--O 1.223 -0.3 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.43 -51.18 69.79 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -178.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.9 mt -99.69 110.37 26.71 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.45 0 O-C-N 123.998 0.811 . . . . 0.0 109.643 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.3 t -73.24 143.38 47.12 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 177.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.46 -14.63 61.39 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -177.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.8 mt -114.49 -71.08 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 O-C-N 124.67 1.231 . . . . 0.0 111.923 -176.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -80.52 -19.74 45.11 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 -175.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.77 -10.11 20.18 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-O 118.57 -1.128 . . . . 0.0 113.317 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -155.16 15.88 0.41 Allowed 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 -177.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.637 HD22 ' H ' ' A' ' 33' ' ' THR . 2.1 m-20 -83.28 -39.41 20.87 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.873 -0.517 . . . . 0.0 109.771 176.281 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.26 -29.58 63.94 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.117 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -65.26 -35.4 80.92 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.365 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -128.28 -113.02 0.27 Allowed 'General case' 0 CA--C 1.552 1.055 0 O-C-N 124.279 0.987 . . . . 0.0 112.012 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -88.92 167.94 12.8 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 123.224 0.61 . . . . 0.0 111.349 -178.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -122.9 66.12 0.97 Allowed 'General case' 0 C--N 1.349 0.568 0 O-C-N 124.368 1.043 . . . . 0.0 110.48 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -102.95 -36.49 8.18 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 124.544 1.152 . . . . 0.0 111.54 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.637 ' H ' HD22 ' A' ' 26' ' ' ASN . 4.9 p -84.43 -6.25 59.36 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 123.781 0.675 . . . . 0.0 110.334 -179.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.24 -32.02 72.66 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.978 0.418 . . . . 0.0 110.464 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.4 mmm -64.03 -41.31 97.46 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.619 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -82.2 113.28 19.92 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 123.653 0.596 . . . . 0.0 111.273 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.7 mt -85.83 130.65 34.49 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.238 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.1 t -156.46 155.22 31.68 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.624 0.577 . . . . 0.0 110.5 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -158.78 118.14 3.08 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.568 0.543 . . . . 0.0 110.212 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.1 t -157.54 153.08 26.38 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.434 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -80.94 120.41 24.71 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.607 0.567 . . . . 0.0 109.693 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -72.41 137.53 46.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.794 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -71.2 141.39 50.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.882 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -62.23 -43.38 98.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.237 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -67.13 134.94 52.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.709 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -151.6 149.85 29.63 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 124.004 0.815 . . . . 0.0 110.139 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 91.9 m -64.27 -39.27 93.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.396 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -131.96 141.52 49.33 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 124.244 0.965 . . . . 0.0 110.227 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.6 p -163.96 155.33 16.26 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.232 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -140.12 142.22 36.05 Favored 'General case' 0 C--N 1.343 0.284 0 O-C-N 124.184 0.927 . . . . 0.0 108.922 179.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -100.13 -1.77 35.83 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 124.195 0.934 . . . . 0.0 109.892 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.36 -40.48 96.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.553 -178.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 47.4 m -108.68 172.5 6.81 Favored 'General case' 0 C--N 1.345 0.403 0 O-C-N 124.193 0.933 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.7 p -55.04 -21.51 12.58 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.612 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 t0 73.38 -7.61 1.5 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.218 1.007 . . . . 0.0 111.28 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.0 mt -66.27 -44.6 83.15 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 t -90.8 133.47 35.18 Favored 'General case' 0 C--N 1.347 0.462 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 178.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -76.19 -39.14 55.48 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -176.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -79.28 -20.06 48.99 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -177.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.6 m -68.86 -27.32 65.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.384 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -50.58 -37.81 41.97 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.977 0.798 . . . . 0.0 111.91 -177.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -91.3 -53.5 4.32 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.994 0.809 . . . . 0.0 111.506 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -142.44 116.11 9.18 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 124.233 0.958 . . . . 0.0 110.155 -178.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -46.89 144.93 2.21 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 124.321 1.013 . . . . 0.0 112.594 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.03 22.15 9.62 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 124.718 1.261 . . . . 0.0 110.433 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.79 8.03 0.1 Allowed 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.12 -38.22 90.28 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 121.308 -0.87 . . . . 0.0 110.399 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.82 -71.03 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 O-C-N 123.457 0.473 . . . . 0.0 111.542 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -74.94 123.05 24.42 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.048 0.452 . . . . 0.0 111.011 178.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 . . . . . 0 N--CA 1.462 0.169 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.043 179.894 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.335 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -65.58 -50.64 64.36 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -48.22 -25.06 1.36 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -178.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.7 mt -107.13 112.53 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 124.158 0.911 . . . . 0.0 109.167 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.6 t -72.6 151.87 42.1 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.79 -14.41 59.59 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 122.41 -0.181 . . . . 0.0 111.262 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.0 mt -114.71 -78.23 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 O-C-N 124.852 1.345 . . . . 0.0 110.213 -178.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.39 -10.16 15.63 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -176.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.46 -18.69 5.35 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-O 118.247 -1.307 . . . . 0.0 112.841 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -165.78 18.92 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.463 ' N ' HD21 ' A' ' 26' ' ' ASN . 1.4 m-80 -93.93 3.3 55.57 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-N 119.282 0.946 . . . . 0.0 112.016 177.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.94 64.72 2.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.924 0.869 . . . . 0.0 109.584 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -174.86 -16.94 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.111 -0.949 . . . . 0.0 111.037 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -132.6 -143.94 0.23 Allowed 'General case' 0 N--CA 1.478 0.953 0 O-C-N 124.177 0.923 . . . . 0.0 110.932 -178.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -65.16 138.08 58.04 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -96.92 45.15 1.05 Allowed 'General case' 0 CA--C 1.532 0.268 0 O-C-N 124.479 1.112 . . . . 0.0 109.902 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -83.04 -33.55 26.45 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.295 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.5 p -78.9 -15.3 58.51 Favored 'General case' 0 CA--C 1.517 -0.309 0 O-C-N 123.52 0.513 . . . . 0.0 110.323 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -64.52 -40.0 94.81 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.343 -0.543 . . . . 0.0 109.858 -179.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 47.1 mtp -66.98 -41.41 86.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.653 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -74.91 136.47 41.43 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.272 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.5 mt -79.69 144.05 34.04 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.425 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.6 p -77.61 163.97 25.76 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.215 0.322 . . . . 0.0 110.418 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -81.46 142.03 33.32 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.675 0.609 . . . . 0.0 110.968 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.7 p -66.45 -34.13 77.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.129 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -72.81 156.63 38.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.618 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -64.95 133.55 52.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.06 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -72.96 143.28 47.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -76.1 140.36 41.8 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.477 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -70.38 136.74 49.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.901 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -73.48 130.09 39.37 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.002 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 94.8 m -66.92 -39.23 87.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.759 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -66.67 139.49 57.86 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.3 p -163.91 160.86 22.55 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -140.97 145.0 35.42 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 124.273 0.983 . . . . 0.0 110.134 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -73.12 -6.92 48.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.862 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -57.51 -72.07 0.09 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.478 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 13.8 t -96.76 -125.93 0.14 Allowed 'General case' 0 N--CA 1.475 0.811 0 O-C-N 123.994 0.809 . . . . 0.0 110.63 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 92.6 p -126.1 -123.8 0.24 Allowed 'General case' 0 C--N 1.35 0.628 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -146.64 -9.88 0.47 Allowed 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.364 0.415 . . . . 0.0 111.242 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.3 mt -64.6 -54.39 32.81 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.3 t -94.44 110.56 22.33 Favored 'General case' 0 C--N 1.342 0.277 0 O-C-N 123.903 0.752 . . . . 0.0 109.295 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -69.99 -32.01 69.99 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -75.05 -25.95 59.04 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -177.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.2 m -60.47 -28.12 68.08 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.65 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -59.2 -40.45 85.81 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.702 -178.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -84.6 -53.07 5.65 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 123.672 0.608 . . . . 0.0 111.544 -179.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -136.72 115.75 12.39 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 124.511 1.132 . . . . 0.0 109.548 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -54.83 134.63 48.11 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.83 0.706 . . . . 0.0 111.392 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.72 10.8 10.37 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 124.88 1.362 . . . . 0.0 110.509 179.195 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.2 mt -56.63 -2.22 0.07 Allowed 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -177.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.25 -41.64 94.1 Favored 'General case' 0 C--O 1.232 0.158 0 O-C-N 121.402 -0.812 . . . . 0.0 111.371 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -58.38 -57.77 9.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -178.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -56.28 -41.93 76.66 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 117.923 0.329 . . . . 0.0 111.232 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 54.5 m80 . . . . . 0 N--CA 1.464 0.242 0 CA-C-O 120.83 0.348 . . . . 0.0 110.511 179.455 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.252 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -65.59 -50.39 65.29 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.15 -24.55 0.46 Allowed 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -179.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.9 mt -106.65 113.79 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 O-C-N 124.28 0.988 . . . . 0.0 109.675 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.0 t -73.0 153.07 41.07 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 177.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.4 -15.83 58.26 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.828 -0.169 . . . . 0.0 111.101 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.1 mt -114.45 -79.03 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 124.752 1.282 . . . . 0.0 109.694 -178.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.07 -8.41 5.35 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -177.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.65 -19.62 3.95 Favored Glycine 0 CA--C 1.524 0.638 0 CA-C-O 118.541 -1.144 . . . . 0.0 113.161 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -166.53 17.15 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 115.389 1.625 . . . . 0.0 115.389 -178.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.473 ' N ' HD21 ' A' ' 26' ' ' ASN . 1.1 m-80 -94.1 11.31 30.37 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 118.947 0.794 . . . . 0.0 111.285 177.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.87 63.51 6.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.231 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -178.18 -12.26 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.09 178.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -134.56 -153.58 0.53 Allowed 'General case' 0 N--CA 1.477 0.917 0 O-C-N 123.813 0.696 . . . . 0.0 111.519 -178.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -56.99 123.07 13.89 Favored 'General case' 0 C--N 1.342 0.251 0 C-N-CA 122.445 0.298 . . . . 0.0 111.306 -178.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -83.88 46.71 1.21 Allowed 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.69 0.619 . . . . 0.0 110.454 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -85.56 -32.76 21.96 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.35 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.9 p -79.27 -14.59 58.93 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.292 -179.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -64.9 -36.86 85.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.337 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 44.6 mtp -65.48 -41.91 92.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.785 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -167.24 150.92 6.53 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.737 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.9 mt -86.25 17.72 3.54 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 123.73 0.644 . . . . 0.0 110.21 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.0 p -68.27 -42.59 79.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.596 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -82.52 135.06 35.19 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.779 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.0 p -119.29 132.43 55.9 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 124.416 1.073 . . . . 0.0 109.725 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -85.09 109.24 18.1 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.837 0.71 . . . . 0.0 110.653 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -78.55 134.71 37.22 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.617 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -76.26 141.74 41.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.87 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -76.6 108.6 9.71 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.347 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -79.61 -0.69 34.78 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.575 0.547 . . . . 0.0 109.879 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -61.99 -43.58 98.54 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.128 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -165.42 141.72 5.43 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.293 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -125.52 119.07 27.19 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 124.452 1.095 . . . . 0.0 110.256 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.3 m -62.0 -41.31 97.92 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.658 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -148.08 156.47 42.65 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 124.232 0.958 . . . . 0.0 109.454 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -87.25 78.93 8.7 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 124.013 0.821 . . . . 0.0 110.47 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 50.49 99.03 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 O-C-N 124.282 0.989 . . . . 0.0 110.899 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 18.3 m -84.11 -78.37 0.24 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.745 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.1 m -57.96 -41.01 81.97 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.496 -178.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 71.31 49.41 0.32 Allowed 'General case' 0 N--CA 1.468 0.471 0 O-C-N 125.104 1.503 . . . . 0.0 112.151 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 pp -165.24 -39.79 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.671 178.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 11.3 t -94.64 133.75 37.95 Favored 'General case' 0 C--N 1.346 0.418 0 O-C-N 124.462 1.101 . . . . 0.0 108.701 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -79.49 -43.85 22.39 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -177.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -74.8 -22.89 58.49 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -177.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.6 m -61.49 -20.54 63.3 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.924 0.393 . . . . 0.0 110.812 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -59.19 -41.86 89.51 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -178.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -92.5 -49.14 6.28 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.985 0.803 . . . . 0.0 111.693 -178.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -138.36 120.59 15.79 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 124.59 1.181 . . . . 0.0 109.721 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -56.91 138.97 53.09 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 124.026 0.829 . . . . 0.0 110.711 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.44 12.14 11.56 Favored 'General case' 0 C--O 1.212 -0.913 0 O-C-N 125.062 1.476 . . . . 0.0 110.645 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.0 mp -55.53 -3.84 0.08 Allowed 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 -177.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.6 -41.32 98.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.474 -0.766 . . . . 0.0 111.012 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.91 -55.31 24.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -56.73 -41.64 77.85 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 117.992 0.36 . . . . 0.0 110.902 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 . . . . . 0 N--CA 1.462 0.169 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.633 179.669 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.385 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.23 -53.36 50.43 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -49.65 -25.5 2.91 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -178.057 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.5 mt -107.96 114.51 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 O-C-N 124.32 1.012 . . . . 0.0 109.532 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.1 t -73.49 151.3 41.09 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.81 -14.54 59.55 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 111.244 0.09 . . . . 0.0 111.244 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.3 mt -114.95 -78.53 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 O-C-N 124.72 1.262 . . . . 0.0 110.099 -178.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.15 -9.32 10.47 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.73 -19.29 5.14 Favored Glycine 0 CA--C 1.527 0.801 0 CA-C-O 118.205 -1.331 . . . . 0.0 113.063 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -165.98 18.27 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 115.61 1.708 . . . . 0.0 115.61 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -94.54 9.41 38.69 Favored 'General case' 0 N--CA 1.503 2.201 0 CA-C-N 119.489 1.04 . . . . 0.0 112.084 178.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.26 66.18 9.42 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.39 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -140.29 -41.01 0.42 Allowed 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 114.673 -1.149 . . . . 0.0 109.751 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -158.62 -68.78 0.09 Allowed 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -79.41 140.46 37.41 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -178.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -125.0 42.99 3.15 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 124.702 1.251 . . . . 0.0 109.607 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -80.48 -36.12 33.86 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.698 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.6 p -79.67 -12.61 59.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.948 -178.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -65.43 -35.9 82.32 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.282 -179.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 47.9 mtm -67.12 -41.97 85.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.539 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -164.77 137.96 4.82 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.6 mt -73.05 147.07 45.38 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 m -78.23 125.49 29.43 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.557 0.536 . . . . 0.0 110.262 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -63.1 -48.83 76.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 m -73.66 131.51 41.73 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.183 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -144.29 17.64 1.71 Allowed 'General case' 0 N--CA 1.474 0.74 0 O-C-N 123.919 0.762 . . . . 0.0 109.974 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -69.53 -40.29 77.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.972 179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -71.0 149.12 46.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.523 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -70.58 143.58 51.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.776 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.71 -41.61 99.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.351 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -156.95 105.88 2.2 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.587 0.555 . . . . 0.0 110.471 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 94.0 m -65.72 -40.49 92.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.676 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -70.13 150.11 46.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.189 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.7 p -160.77 162.1 32.31 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.546 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -154.74 -39.32 0.09 Allowed 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.85 0.719 . . . . 0.0 109.935 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -148.1 90.32 1.81 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 124.092 0.87 . . . . 0.0 110.309 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -77.68 62.36 2.56 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.761 0.791 . . . . 0.0 109.792 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 6.3 m -69.82 -68.63 0.4 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.833 -179.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.0 m -99.94 81.36 2.42 Favored 'General case' 0 CA--C 1.512 -0.509 0 O-C-N 124.253 0.971 . . . . 0.0 110.718 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -53.51 -26.46 20.93 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.3 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.1 mt -63.45 -44.9 93.17 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 9.8 t -92.54 115.99 28.6 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 124.061 0.85 . . . . 0.0 109.362 178.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -66.8 -37.24 84.15 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -177.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -73.7 -27.46 61.22 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -178.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.5 m -62.38 -17.27 58.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.728 0.299 . . . . 0.0 111.248 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -61.31 -42.29 98.42 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -178.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -112.23 -42.83 3.64 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.184 0.927 . . . . 0.0 112.433 -178.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -115.78 108.09 15.89 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 124.308 1.005 . . . . 0.0 110.282 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -64.37 131.93 48.64 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.544 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.27 10.33 14.78 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 125.208 1.567 . . . . 0.0 110.715 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.3 mt -54.71 -2.45 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -177.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.95 -46.31 85.26 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.413 -0.804 . . . . 0.0 110.705 179.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.2 pt -61.33 -85.2 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.601 -178.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -68.78 129.78 40.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.754 0.312 . . . . 0.0 110.946 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 . . . . . 0 N--CA 1.462 0.145 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.653 179.876 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.602 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -74.67 -51.56 14.04 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -60.55 -49.27 78.23 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.36 -178.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.5 mp -104.06 124.77 58.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.661 0 O-C-N 124.038 0.836 . . . . 0.0 110.021 -178.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.7 t -78.87 147.79 33.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.668 -1.151 . . . . 0.0 108.718 178.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.93 -11.01 60.42 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.6 mt -118.0 -76.02 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 O-C-N 124.525 1.141 . . . . 0.0 111.579 -177.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -67.86 -29.86 69.09 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.699 -176.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.64 -19.52 44.17 Favored Glycine 0 CA--C 1.523 0.539 0 O-C-N 124.508 1.13 . . . . 0.0 111.924 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -145.51 16.88 1.48 Allowed 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 116.337 1.977 . . . . 0.0 116.337 -175.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -91.21 -33.17 15.5 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 119.293 0.951 . . . . 0.0 112.615 178.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.31 -30.38 50.88 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 123.418 0.449 . . . . 0.0 110.485 -177.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -70.74 -36.78 73.31 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.346 178.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -117.13 -134.83 0.34 Allowed 'General case' 0 N--CA 1.484 1.235 0 O-C-N 124.357 1.035 . . . . 0.0 111.461 -178.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -72.95 176.78 5.4 Favored 'General case' 0 C--N 1.348 0.5 0 CA-C-O 119.146 -0.454 . . . . 0.0 110.324 -179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -127.28 42.13 3.38 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 124.185 0.928 . . . . 0.0 110.552 -178.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -84.12 -34.34 24.12 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.255 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.1 p -81.67 -4.24 55.69 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.405 0.441 . . . . 0.0 110.84 -178.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -67.23 -11.3 57.06 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.715 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 39.2 mmm -69.84 156.03 39.66 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -73.62 88.25 1.68 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.126 0.488 . . . . 0.0 110.59 -179.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.2 mt -75.66 142.28 42.58 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.863 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.6 p -64.98 -44.91 87.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -81.12 133.17 35.42 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.521 0.513 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.7 p -65.56 -50.6 64.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.519 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -89.85 109.53 20.53 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 124.151 0.907 . . . . 0.0 110.535 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.1 ttt-85 -64.78 -45.27 87.06 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -158.75 170.35 22.34 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.609 0.568 . . . . 0.0 110.592 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -72.6 131.45 42.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.536 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -70.84 135.85 48.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.139 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -72.81 153.21 41.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.764 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.0 m -69.37 165.87 19.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.738 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -64.11 91.69 0.07 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.364 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.3 m -62.54 -40.63 97.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.748 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -149.06 153.41 37.79 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.981 0.801 . . . . 0.0 110.499 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -94.75 -2.23 51.42 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 124.345 1.028 . . . . 0.0 109.939 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -61.35 -36.46 80.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.144 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.1 t -99.88 150.5 22.32 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 124.122 0.889 . . . . 0.0 110.32 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.9 m -63.91 1.5 0.65 Allowed 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 t70 72.6 -9.36 1.08 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.457 1.103 . . . . 0.0 112.659 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.79 -51.41 59.26 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 5.1 t -93.24 130.59 38.9 Favored 'General case' 0 C--N 1.343 0.309 0 O-C-N 124.095 0.872 . . . . 0.0 109.041 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -76.7 -37.08 56.73 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -177.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -76.59 -23.5 53.47 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -177.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.6 m -67.14 -19.48 65.61 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.908 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -59.19 -36.98 76.29 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.296 -178.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -94.86 -50.37 5.16 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 124.027 0.829 . . . . 0.0 111.755 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -140.72 112.6 7.65 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 124.127 0.892 . . . . 0.0 111.107 -178.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -48.59 142.8 5.61 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 123.977 0.798 . . . . 0.0 112.654 -179.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -124.44 20.65 8.74 Favored 'General case' 0 N--CA 1.477 0.882 0 O-C-N 124.92 1.388 . . . . 0.0 110.465 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.1 mt -64.77 5.79 0.28 Allowed 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -178.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.03 -41.31 97.46 Favored 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 121.453 -0.78 . . . . 0.0 110.562 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 pt -70.38 -69.79 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 O-C-N 123.608 0.568 . . . . 0.0 111.704 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -72.09 116.99 13.16 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.123 0.42 . . . . 0.0 110.635 178.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 . . . . . 0 N--CA 1.464 0.259 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.617 179.744 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.27 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -69.96 -50.66 39.65 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -50.11 -30.8 11.81 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 114.117 1.155 . . . . 0.0 114.117 -177.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.4 mt -110.0 118.36 56.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 124.666 1.229 . . . . 0.0 109.775 -179.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.2 t -74.22 149.2 40.97 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 178.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.94 -14.72 59.83 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 111.282 0.105 . . . . 0.0 111.282 -178.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.9 mt -113.75 -77.47 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 124.935 1.397 . . . . 0.0 110.586 -178.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -65.41 -8.92 21.14 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -176.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.26 -19.54 5.53 Favored Glycine 0 CA--C 1.522 0.524 0 CA-C-O 118.192 -1.338 . . . . 0.0 113.348 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 45.9 p-10 -164.43 19.03 0.06 Allowed 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 119.75 1.775 . . . . 0.0 115.205 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -91.08 -4.1 56.59 Favored 'General case' 0 N--CA 1.502 2.139 0 CA-C-N 119.607 1.094 . . . . 0.0 112.026 178.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.89 60.0 3.96 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -153.5 -31.91 0.12 Allowed 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.911 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -136.4 -94.13 0.24 Allowed 'General case' 0 N--CA 1.472 0.655 0 O-C-N 124.226 0.954 . . . . 0.0 112.489 -178.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -88.18 166.67 14.21 Favored 'General case' 0 CA--C 1.513 -0.448 0 O-C-N 123.591 0.557 . . . . 0.0 110.479 -178.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -133.82 40.66 3.08 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 124.79 1.306 . . . . 0.0 109.049 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -80.83 -36.42 31.58 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.822 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.0 p -79.43 -10.58 59.83 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 123.622 0.576 . . . . 0.0 111.004 -178.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.38 -33.71 76.48 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.304 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 31.0 mmm -64.77 -41.57 95.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.549 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -157.73 151.49 24.02 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 123.629 0.58 . . . . 0.0 110.773 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 72.9 mt -72.82 146.05 46.56 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.3 p -137.5 169.22 18.16 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 124.629 1.205 . . . . 0.0 110.256 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -71.53 133.11 45.58 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.229 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 54.2 m -76.42 131.95 39.39 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 123.579 0.549 . . . . 0.0 110.336 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -84.3 96.23 8.96 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.79 0.681 . . . . 0.0 110.543 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -72.79 144.1 47.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.884 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -72.86 107.64 5.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.294 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -60.8 -47.36 86.71 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.911 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -130.37 140.85 50.59 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 124.602 1.188 . . . . 0.0 110.013 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -80.6 97.18 7.09 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.953 0.783 . . . . 0.0 110.38 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.3 m -70.29 -53.25 17.62 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.835 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -131.98 165.53 23.72 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 124.421 1.076 . . . . 0.0 110.251 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.2 t -161.28 85.24 0.66 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.452 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -63.3 -48.15 79.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.343 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.28 -20.53 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.072 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 48.56 70.51 0.45 Allowed 'General case' 0 C--N 1.349 0.558 0 O-C-N 124.181 0.926 . . . . 0.0 110.162 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 95.8 m -71.69 -55.72 7.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.973 -178.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.7 p -114.05 79.89 1.31 Allowed 'General case' 0 CA--C 1.512 -0.509 0 O-C-N 124.673 1.233 . . . . 0.0 110.429 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -55.0 -17.88 4.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.819 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 45.1 mt -63.59 -43.71 96.16 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 178.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.2 t -93.84 117.63 30.36 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 124.058 0.849 . . . . 0.0 108.89 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -64.91 -37.32 87.26 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -176.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.29 -26.94 52.82 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -178.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.19 -25.08 63.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.931 0.396 . . . . 0.0 111.297 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -61.41 -34.6 75.63 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.354 -178.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -97.34 -50.17 4.65 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 124.022 0.826 . . . . 0.0 111.978 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -136.14 117.81 14.98 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 124.285 0.99 . . . . 0.0 110.531 -178.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt -57.96 137.31 56.88 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.718 0.636 . . . . 0.0 111.112 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.79 16.43 9.44 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 125.285 1.615 . . . . 0.0 110.827 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.4 mt -58.21 0.24 0.07 Allowed 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -177.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.76 -43.99 74.65 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.404 -0.81 . . . . 0.0 110.879 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.3 pt -64.14 -42.72 96.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 120.643 -0.423 . . . . 0.0 112.082 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -57.45 -46.67 83.34 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 117.588 0.176 . . . . 0.0 110.74 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 74.8 m80 . . . . . 0 N--CA 1.464 0.253 0 O-C-N 123.287 0.367 . . . . 0.0 110.436 179.269 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.333 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -66.36 -51.2 59.57 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.78 -23.64 1.95 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 -178.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.1 mt -109.36 115.56 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 O-C-N 124.191 0.932 . . . . 0.0 109.594 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.0 t -74.53 151.61 39.46 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.94 -15.32 59.7 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 122.553 -0.092 . . . . 0.0 111.14 -178.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.6 mt -114.83 -78.39 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 O-C-N 124.812 1.32 . . . . 0.0 110.289 -178.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.9 m -63.08 -10.43 14.41 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -176.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.05 -17.64 7.1 Favored Glycine 0 CA--C 1.524 0.654 0 CA-C-O 118.342 -1.255 . . . . 0.0 113.229 179.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -166.22 17.49 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 115.459 1.652 . . . . 0.0 115.459 -179.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -95.0 9.4 39.57 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-N 119.168 0.895 . . . . 0.0 112.193 178.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.48 66.54 9.73 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.17 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -139.67 -40.09 0.46 Allowed 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.927 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -162.34 -64.71 0.05 OUTLIER 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -80.57 141.73 34.8 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -126.01 42.43 3.3 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 124.586 1.179 . . . . 0.0 109.168 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -79.97 -36.0 36.72 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.892 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.4 p -80.04 -12.44 59.69 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.873 -178.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -65.25 -33.42 75.95 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.259 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 57.7 mtp -72.15 132.14 43.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.239 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -85.04 92.46 8.36 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.865 0.728 . . . . 0.0 110.695 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.9 mt -76.24 149.14 37.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.592 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.2 p -63.88 -43.58 95.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.717 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -74.17 138.87 44.08 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.264 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.3 m -63.63 127.29 30.7 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.205 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -80.94 117.17 21.34 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.771 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -70.07 143.22 52.52 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -63.76 139.79 58.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.237 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -73.33 139.11 45.81 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.367 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -153.17 136.93 16.1 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.877 0.736 . . . . 0.0 109.649 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -152.33 137.91 17.78 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 124.04 0.837 . . . . 0.0 109.985 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 94.9 m -64.79 -36.67 85.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.692 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -62.29 142.28 57.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.991 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.2 p -161.51 162.93 30.53 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.647 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -157.7 136.09 11.14 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.0 m80 30.39 83.59 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.238 0 O-C-N 125.451 1.72 . . . . 0.0 112.159 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -75.08 67.54 1.77 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.058 0.456 . . . . 0.0 110.636 -178.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 94.2 m -79.18 -73.07 0.36 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.261 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.9 m -97.42 82.15 3.08 Favored 'General case' 0 C--N 1.347 0.496 0 O-C-N 123.81 0.694 . . . . 0.0 110.147 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -59.49 -22.3 61.37 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.75 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 25.9 mt -63.22 -47.29 83.11 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 10.7 t -93.63 114.05 26.29 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 124.063 0.852 . . . . 0.0 108.711 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -67.11 -37.26 83.59 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -177.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.61 -29.1 64.29 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -177.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.64 -26.35 65.44 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-O 120.908 0.385 . . . . 0.0 110.935 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -61.3 -42.05 98.01 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.56 -178.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -87.03 -52.08 5.64 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 123.709 0.631 . . . . 0.0 112.048 -178.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -134.99 119.56 18.11 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 124.456 1.098 . . . . 0.0 109.871 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -58.65 134.63 56.95 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.626 0.579 . . . . 0.0 110.833 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.86 8.63 12.68 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 124.977 1.423 . . . . 0.0 110.632 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.9 mt -56.46 -1.11 0.05 OUTLIER 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -177.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.89 -43.04 94.19 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.404 -0.81 . . . . 0.0 110.728 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 pt -63.27 -73.0 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.731 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -75.93 114.66 14.81 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 117.987 0.358 . . . . 0.0 110.914 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 . . . . . 0 N--CA 1.466 0.344 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.24 179.521 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.212 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.4 mptt 51.33 79.44 0.1 Allowed 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.481 0.658 . . . . 0.0 110.673 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -45.78 -26.15 0.61 Allowed 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 114.234 -1.348 . . . . 0.0 112.64 -178.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.8 mt -104.88 112.6 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.4 t -71.5 151.65 43.72 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.42 -15.1 59.52 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 111.236 0.087 . . . . 0.0 111.236 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.4 mt -114.48 -78.39 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 O-C-N 124.748 1.28 . . . . 0.0 110.015 -178.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.9 m -63.09 -7.91 6.58 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 -177.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.45 -18.92 4.14 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-O 118.078 -1.401 . . . . 0.0 112.93 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -166.2 17.91 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 116.142 1.904 . . . . 0.0 116.142 -178.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.463 ' N ' HD21 ' A' ' 26' ' ' ASN . 1.4 m-80 -94.02 11.18 30.63 Favored 'General case' 0 N--CA 1.501 2.113 0 CA-C-N 119.36 0.982 . . . . 0.0 111.973 178.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.9 65.24 7.52 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.951 0.881 . . . . 0.0 110.537 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -167.65 -17.57 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.098 -0.956 . . . . 0.0 112.028 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -145.49 -97.34 0.1 Allowed 'General case' 0 N--CA 1.472 0.638 0 O-C-N 123.888 0.743 . . . . 0.0 111.574 -178.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -81.59 157.61 24.67 Favored 'General case' 0 CA--C 1.515 -0.378 0 O-C-N 123.135 0.272 . . . . 0.0 110.605 -179.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -131.2 34.17 4.04 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 124.54 1.15 . . . . 0.0 109.169 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -82.52 -28.85 30.8 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.393 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.1 p -78.85 -14.04 59.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.843 -179.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -64.01 -42.07 97.25 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.187 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 45.1 mtp -66.81 -42.68 85.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.794 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -86.98 104.12 15.99 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.867 0.729 . . . . 0.0 110.74 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.3 mt -75.06 145.37 42.4 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.412 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.3 t -158.11 153.05 25.24 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.075 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -78.32 140.57 38.79 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.204 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.6 p -69.25 137.26 52.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.36 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -79.5 85.85 5.23 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.643 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -65.52 -42.11 92.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.36 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -71.44 142.08 50.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.577 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -72.19 139.73 48.37 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.858 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -130.79 151.03 51.67 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 124.329 1.018 . . . . 0.0 110.039 -179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -68.92 117.98 11.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.739 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -163.67 165.81 22.91 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.39 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.81 152.46 27.07 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.01 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.2 p -161.82 164.51 28.76 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.193 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -146.92 146.59 30.19 Favored 'General case' 0 N--CA 1.461 0.114 0 O-C-N 124.104 0.878 . . . . 0.0 109.971 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -70.1 -28.56 65.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.675 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -61.75 -48.26 81.52 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -178.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 9.0 t -52.54 158.98 1.12 Allowed 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.3 m -80.53 -4.02 52.34 Favored 'General case' 0 C--O 1.227 -0.105 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.557 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 t70 67.46 52.17 0.81 Allowed 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.963 0.887 . . . . 0.0 112.829 178.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 pp -160.64 -41.58 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.069 177.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 9.3 t -93.6 114.87 27.3 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 124.223 0.952 . . . . 0.0 109.225 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -68.19 -34.85 77.05 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -177.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.24 -26.69 59.07 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -177.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.89 -27.3 68.05 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.882 0.372 . . . . 0.0 110.734 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -58.11 -44.64 87.81 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.108 -178.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -84.2 -51.0 7.38 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 123.723 0.639 . . . . 0.0 111.667 -178.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -134.39 113.06 11.49 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 124.459 1.1 . . . . 0.0 109.447 -178.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -56.33 135.37 53.78 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.615 0.572 . . . . 0.0 111.585 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -113.67 15.94 18.71 Favored 'General case' 0 C--O 1.214 -0.804 0 O-C-N 125.243 1.589 . . . . 0.0 110.385 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.7 mt -55.46 -3.23 0.06 Allowed 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -177.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.54 -48.08 78.97 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.414 -0.804 . . . . 0.0 110.555 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.4 ' CG1' ' H ' ' A' ' 69' ' ' HIS . 1.3 pt -60.26 -93.06 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.554 -178.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.4 ' H ' ' CG1' ' A' ' 68' ' ' ILE . 76.4 t60 -66.85 124.25 22.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.662 0.267 . . . . 0.0 110.97 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 79.8 m80 . . . . . 0 C--O 1.234 0.245 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.232 179.532 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.13 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt -67.67 -50.43 57.78 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -47.49 -21.67 0.36 Allowed 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -179.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.1 mm -108.42 111.74 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 O-C-N 123.615 0.572 . . . . 0.0 109.706 179.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.9 t -74.27 152.61 39.65 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.38 -15.94 59.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.864 -0.153 . . . . 0.0 111.171 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.0 mt -116.34 -78.65 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 O-C-N 124.784 1.303 . . . . 0.0 110.719 -177.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.3 -12.33 40.62 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -176.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.97 -13.43 14.02 Favored Glycine 0 CA--C 1.535 1.319 0 CA-C-O 118.227 -1.319 . . . . 0.0 113.466 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -164.38 18.83 0.06 Allowed 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -94.81 0.46 54.9 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-N 118.919 0.781 . . . . 0.0 111.474 177.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.71 55.21 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.816 0.817 . . . . 0.0 109.308 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -164.72 -7.28 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.194 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -154.07 -125.6 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.995 0 O-C-N 123.249 0.343 . . . . 0.0 110.989 -178.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -72.25 142.22 48.94 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -109.7 46.61 1.0 Allowed 'General case' 0 N--CA 1.467 0.385 0 O-C-N 124.783 1.302 . . . . 0.0 109.647 -179.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -81.03 -37.37 29.21 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.355 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.0 p -79.5 -11.71 59.89 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.659 0.599 . . . . 0.0 110.726 -178.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.34 -36.33 83.79 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.233 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 34.8 mmm -66.81 -40.29 88.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.523 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -84.01 114.0 21.4 Favored 'General case' 0 N--CA 1.464 0.257 0 O-C-N 123.857 0.723 . . . . 0.0 110.935 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.4 mt -74.56 155.36 37.98 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 25.1 p -134.24 153.13 52.04 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 124.38 1.05 . . . . 0.0 110.34 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -62.94 -41.76 99.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.181 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.6 p -136.01 155.87 49.59 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 124.221 0.951 . . . . 0.0 109.926 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -84.87 18.23 2.52 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.277 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 91.9 mtm180 -125.65 141.28 52.1 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 124.23 0.956 . . . . 0.0 109.618 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -69.95 147.02 50.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.316 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -60.64 -44.59 96.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.445 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -154.51 125.57 7.24 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.708 0.63 . . . . 0.0 109.9 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -90.23 92.46 8.94 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.881 0.738 . . . . 0.0 110.122 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 82.9 m -66.52 -54.84 19.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.936 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -81.18 145.82 30.81 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.662 0.601 . . . . 0.0 109.984 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.9 p -164.04 157.81 18.76 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.71 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -150.65 147.92 27.98 Favored 'General case' 0 C--N 1.344 0.357 0 O-C-N 123.851 0.719 . . . . 0.0 110.353 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -66.34 -32.93 74.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.978 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -65.36 -47.52 76.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.265 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.5 t -46.9 154.82 0.3 Allowed 'General case' 0 C--N 1.343 0.292 0 O-C-N 123.879 0.737 . . . . 0.0 112.71 -179.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.5 p -74.16 -6.38 47.41 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.096 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t0 68.22 47.04 1.04 Allowed 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.445 178.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 pp -163.69 -40.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.063 177.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.1 t -92.46 118.31 30.83 Favored 'General case' 0 C--N 1.341 0.215 0 O-C-N 124.217 0.948 . . . . 0.0 109.699 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -69.03 -37.43 78.6 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -177.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -72.79 -27.59 62.08 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.5 m -62.53 -20.69 64.9 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 120.9 0.381 . . . . 0.0 111.008 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -59.89 -43.59 94.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.644 -177.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -90.65 -49.81 6.27 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.787 0.679 . . . . 0.0 112.253 -178.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -133.67 115.5 14.69 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 124.461 1.101 . . . . 0.0 110.24 -178.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -57.19 134.25 55.74 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.678 0.612 . . . . 0.0 111.338 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.3 13.04 17.76 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 125.078 1.486 . . . . 0.0 110.607 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.2 mt -56.1 -1.86 0.05 Allowed 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 -177.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.63 -43.46 96.76 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.45 -0.781 . . . . 0.0 110.626 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -59.44 -74.89 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.875 -178.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -57.16 128.8 38.82 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.887 0.375 . . . . 0.0 111.287 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 75.2 m80 . . . . . 0 C--N 1.332 -0.185 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.166 -179.545 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.0 mtm . . . . . 0 N--CA 1.492 1.648 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.19 12.15 84.36 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -44.99 44.41 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-O 118.654 -0.689 . . . . 0.0 112.267 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -61.41 148.16 93.65 Favored 'Trans proline' 0 N--CA 1.499 1.839 0 CA-C-N 121.163 1.451 . . . . 0.0 111.874 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.55 157.16 52.5 Favored Pre-proline 0 CA--C 1.552 1.051 0 CA-C-O 117.831 -1.08 . . . . 0.0 109.36 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -52.62 -40.01 74.21 Favored 'Trans proline' 0 N--CA 1.506 2.244 0 CA-C-N 121.475 1.563 . . . . 0.0 112.727 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -67.03 156.25 88.21 Favored Pre-proline 0 CA--C 1.548 0.866 0 CA-C-O 118.853 -0.594 . . . . 0.0 109.708 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -72.66 -177.95 3.12 Favored 'Trans proline' 0 N--CA 1.498 1.739 0 C-N-CA 121.494 1.463 . . . . 0.0 111.132 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.98 164.87 57.53 Favored Pre-proline 0 CA--C 1.55 0.973 0 CA-C-O 118.632 -0.699 . . . . 0.0 110.901 -178.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -57.28 -29.73 84.97 Favored 'Trans proline' 0 N--CA 1.503 2.085 0 C-N-CA 121.566 1.51 . . . . 0.0 112.189 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 75.3 mt -65.95 -44.22 85.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.588 -178.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 29.08 68.45 0.62 Allowed Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 125.305 1.628 . . . . 0.0 112.704 -178.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -56.94 142.3 93.54 Favored 'Trans proline' 0 N--CA 1.501 1.923 0 C-N-CA 121.351 1.367 . . . . 0.0 112.673 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.2 mtm-85 -64.94 -38.33 90.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.743 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.79 163.54 53.57 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -168.38 152.29 20.15 Favored Glycine 0 N--CA 1.459 0.227 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -67.04 -45.37 77.64 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -53.95 -33.45 56.88 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 124.288 0.993 . . . . 0.0 113.522 -179.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.3 mt -116.49 108.93 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.0 t -67.3 118.7 11.03 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.07 -8.36 52.85 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.848 -177.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.2 mt -95.38 -74.64 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 O-C-N 124.46 1.1 . . . . 0.0 111.522 -177.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 21.6 p -97.3 -17.67 19.64 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -176.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.09 21.96 72.43 Favored Glycine 0 CA--C 1.525 0.719 0 CA-C-O 118.053 -1.415 . . . . 0.0 113.499 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -162.8 12.37 0.07 Allowed 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 120.308 2.054 . . . . 0.0 113.389 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -100.09 0.5 40.85 Favored 'General case' 0 N--CA 1.505 2.305 0 CA-C-N 118.791 0.723 . . . . 0.0 110.595 175.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.51 -73.09 0.05 Allowed 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.565 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -58.61 -49.66 76.69 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.224 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -78.75 -156.29 0.1 Allowed 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.203 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -105.89 161.19 14.67 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 124.162 0.914 . . . . 0.0 112.138 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -74.03 78.01 1.71 Allowed 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.752 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -111.69 -40.34 4.34 Favored 'General case' 0 CA--C 1.516 -0.349 0 O-C-N 124.821 1.326 . . . . 0.0 110.81 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 p -85.68 -13.35 48.8 Favored 'General case' 0 CA--C 1.515 -0.367 0 O-C-N 124.121 0.888 . . . . 0.0 109.335 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -67.74 -38.9 84.14 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.23 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 35.1 mmm -65.33 -41.63 93.76 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.2 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -79.41 142.61 35.8 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.774 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.4 mt -78.21 131.9 37.34 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.804 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.9 p -75.55 -18.36 59.8 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.242 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -60.46 -43.54 96.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.7 p -63.49 -34.94 78.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.804 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -159.72 103.23 1.53 Allowed 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.574 0.546 . . . . 0.0 110.521 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -72.08 141.5 49.23 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.948 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.76 139.19 57.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.012 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -77.14 127.62 32.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.261 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -71.46 135.07 47.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.024 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -77.96 105.83 9.41 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.625 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 94.3 m -65.35 -40.12 93.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.544 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -67.51 142.42 56.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.952 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.9 p -160.05 160.85 33.68 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.395 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -160.21 146.75 15.76 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 69.26 -9.61 0.6 Allowed 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.258 0.623 . . . . 0.0 112.627 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 41.18 86.34 0.02 OUTLIER 'General case' 0 C--N 1.348 0.503 0 C-N-CA 124.057 0.943 . . . . 0.0 113.05 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -44.54 162.12 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -178.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.6 m -59.95 -40.53 89.32 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.645 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -116.72 -88.15 0.6 Allowed 'General case' 0 C--N 1.346 0.439 0 O-C-N 124.454 1.096 . . . . 0.0 110.338 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 pp -161.67 12.28 0.08 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.239 0.542 . . . . 0.0 110.941 -178.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -71.63 125.28 26.68 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -65.08 -48.94 71.98 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 -174.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -70.56 -22.16 62.62 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -176.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -61.69 -21.38 64.41 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.078 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -59.42 -41.72 90.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.037 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -80.83 -56.43 4.13 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.198 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -143.09 123.17 13.63 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 124.584 1.178 . . . . 0.0 109.018 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -54.45 137.72 41.82 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 123.842 0.714 . . . . 0.0 111.948 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.6 34.74 5.06 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 124.926 1.391 . . . . 0.0 110.782 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.8 mt -66.56 1.86 1.55 Allowed 'General case' 0 CA--C 1.55 0.958 0 O-C-N 120.914 -1.117 . . . . 0.0 111.884 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.63 -36.41 76.12 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 121.97 -0.456 . . . . 0.0 111.917 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.8 pt -65.98 -53.41 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 120.135 -0.626 . . . . 0.0 111.27 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -55.99 -45.15 79.1 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.23 0.468 . . . . 0.0 111.464 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -72.18 120.19 17.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.89 0.376 . . . . 0.0 110.434 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -65.91 -39.7 90.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.248 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -73.18 128.8 36.53 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.493 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -74.0 139.03 44.49 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.52 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -66.19 -40.8 90.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.539 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.48 18.13 79.27 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.2 150.58 48.91 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.0 t -67.23 144.95 55.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.723 0.297 . . . . 0.0 110.411 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 47.7 mtt -63.84 -39.21 93.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.3 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 74.72 -166.98 54.89 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 47.9 mtp -64.27 -40.24 95.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.741 0.305 . . . . 0.0 110.39 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 83.7 p -71.64 159.55 34.21 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.525 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.47 21.62 79.36 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.2 p -160.5 161.95 32.93 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.724 0.297 . . . . 0.0 110.489 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.5 21.24 79.59 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.1 p -77.04 166.74 22.9 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.869 0.366 . . . . 0.0 110.345 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.67 -36.26 93.1 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 89.1 t80 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.236 -179.716 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.1 mtp . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.21 -40.89 97.02 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.0 73.61 1.73 Allowed Pre-proline 0 CA--C 1.537 0.475 0 CA-C-O 119.266 -0.397 . . . . 0.0 110.082 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -59.17 143.85 99.61 Favored 'Trans proline' 0 N--CA 1.496 1.655 0 C-N-CA 121.485 1.456 . . . . 0.0 110.882 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.2 t -131.27 55.5 19.19 Favored Pre-proline 0 CA--C 1.555 1.163 0 O-C-N 124.539 1.149 . . . . 0.0 110.715 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.57 -176.67 0.96 Allowed 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 121.185 1.257 . . . . 0.0 111.137 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -158.73 76.16 3.39 Favored Pre-proline 0 CA--C 1.555 1.155 0 O-C-N 123.663 0.602 . . . . 0.0 110.232 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -82.6 -178.74 4.12 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 122.204 1.936 . . . . 0.0 112.025 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -150.33 73.84 9.07 Favored Pre-proline 0 CA--C 1.548 0.886 0 O-C-N 124.027 0.829 . . . . 0.0 110.062 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -57.87 -29.17 85.32 Favored 'Trans proline' 0 N--CA 1.503 2.058 0 C-N-CA 122.036 1.824 . . . . 0.0 111.648 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.24 -39.49 94.77 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.881 -178.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 50.16 68.76 3.13 Favored Pre-proline 0 CA--C 1.545 0.778 0 O-C-N 124.336 1.022 . . . . 0.0 110.758 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -54.9 -37.06 93.22 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 121.784 1.656 . . . . 0.0 112.371 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 75.1 mtm-85 -64.79 -39.64 93.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.518 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.14 150.69 51.31 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -178.33 171.79 44.18 Favored Glycine 0 C--O 1.23 -0.131 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -71.9 -49.75 35.19 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.69 -29.41 18.11 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -177.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.5 mt -112.19 119.79 60.98 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.561 0 O-C-N 124.674 1.234 . . . . 0.0 109.726 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.7 t -76.33 149.78 36.98 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 177.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.68 -12.82 60.01 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.0 mt -114.34 -74.96 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 O-C-N 124.745 1.278 . . . . 0.0 111.146 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -67.75 -15.76 63.79 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.031 -176.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.79 -18.16 36.48 Favored Glycine 0 CA--C 1.529 0.936 0 CA-C-O 118.13 -1.372 . . . . 0.0 113.317 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -166.4 21.4 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 119.596 1.698 . . . . 0.0 113.717 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -89.69 -5.04 57.43 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.169 -0.957 . . . . 0.0 111.135 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.0 64.98 5.01 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -162.09 -60.63 0.05 OUTLIER 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.872 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.18 -84.21 0.39 Allowed 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.522 1.138 . . . . 0.0 111.954 -177.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -110.93 164.0 13.24 Favored 'General case' 0 CA--C 1.509 -0.614 0 O-C-N 124.4 1.063 . . . . 0.0 109.516 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -129.38 45.56 2.78 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 124.967 1.417 . . . . 0.0 109.447 -178.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -87.06 -35.23 18.84 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.871 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.2 p -79.8 -6.22 56.9 Favored 'General case' 0 C--O 1.224 -0.255 0 O-C-N 123.387 0.429 . . . . 0.0 110.637 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.64 -34.35 77.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.078 0.466 . . . . 0.0 110.173 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 47.3 mtp -65.13 -42.58 93.74 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.153 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -86.36 140.67 29.81 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 123.744 0.652 . . . . 0.0 110.546 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.3 mt -90.91 17.49 7.78 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 123.684 0.615 . . . . 0.0 109.746 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.0 p -81.76 157.27 24.58 Favored 'General case' 0 C--O 1.233 0.22 0 O-C-N 123.801 0.688 . . . . 0.0 109.89 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -82.49 136.22 34.94 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.872 0.732 . . . . 0.0 110.816 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.0 m -63.15 -49.39 74.54 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.734 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -84.78 109.22 17.91 Favored 'General case' 0 C--N 1.344 0.333 0 O-C-N 123.976 0.797 . . . . 0.0 109.984 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -64.1 -45.16 89.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.067 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -67.95 132.24 46.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.356 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -62.25 -47.36 84.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.963 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -76.88 134.17 39.07 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.862 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -81.58 86.66 6.34 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.734 0.646 . . . . 0.0 110.951 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.6 t -75.95 109.46 9.6 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.956 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -80.29 116.47 20.39 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.652 0.595 . . . . 0.0 109.862 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.3 t -76.67 -79.57 0.11 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.934 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -79.27 140.92 37.47 Favored 'General case' 0 C--N 1.342 0.252 0 CA-C-O 121.01 0.433 . . . . 0.0 110.519 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -72.7 -17.29 61.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.431 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -64.79 -42.87 94.73 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.21 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -49.07 141.52 7.89 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 124.212 0.945 . . . . 0.0 110.869 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -161.46 20.35 0.12 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.673 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -143.7 21.39 1.82 Allowed 'General case' 0 N--CA 1.474 0.765 0 O-C-N 123.972 0.795 . . . . 0.0 110.715 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 56.23 13.63 1.29 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.432 0.693 . . . . 0.0 111.336 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.7 t -90.51 118.15 29.75 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.492 -1.231 . . . . 0.0 108.789 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -67.81 -37.53 82.09 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 114.801 -1.09 . . . . 0.0 113.151 -176.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -76.09 -24.15 55.02 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -177.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -62.18 -23.33 66.55 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.621 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -56.22 -39.45 72.53 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.266 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -90.67 -53.67 4.32 Favored 'General case' 0 CA--C 1.516 -0.357 0 O-C-N 124.038 0.836 . . . . 0.0 111.223 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -137.47 114.8 10.99 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 124.441 1.088 . . . . 0.0 110.48 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -53.95 140.24 31.65 Favored 'General case' 0 C--O 1.236 0.379 0 O-C-N 124.557 1.161 . . . . 0.0 111.151 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -130.28 38.84 3.72 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 124.986 1.428 . . . . 0.0 110.347 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.2 mt -73.51 3.11 6.55 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 121.553 -0.717 . . . . 0.0 110.458 179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.49 -48.04 61.95 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.5 pt -63.0 -42.41 96.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.372 -178.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -58.79 -45.18 90.46 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -161.95 128.19 3.67 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.25 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -71.86 133.79 45.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.865 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -72.65 131.44 42.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.764 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -72.82 136.12 45.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.276 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -70.94 139.47 50.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.51 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.85 22.37 79.13 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.27 -42.17 99.35 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.1 m -61.07 -42.31 98.26 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.941 0.401 . . . . 0.0 110.581 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 42.7 mtp -65.24 -38.17 89.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.473 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.74 -42.06 99.7 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 50.4 mtt -64.72 -41.14 96.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.806 0.336 . . . . 0.0 110.365 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.2 t -63.2 -41.67 99.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.379 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.02 167.79 45.53 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 78.0 p -63.89 -36.51 84.18 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.127 -0.229 . . . . 0.0 110.586 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 75.13 178.92 42.83 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.4 p -66.38 -33.72 76.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.706 0.288 . . . . 0.0 110.672 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.71 177.67 43.67 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.56 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.8 mmm . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 73.0 20.96 80.19 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.313 -1.115 . . . . 0.0 110.313 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.85 116.14 11.43 Favored Pre-proline 0 CA--C 1.558 1.255 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.742 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -57.01 145.08 87.6 Favored 'Trans proline' 0 N--CA 1.508 2.367 0 CA-C-N 122.349 1.875 . . . . 0.0 112.687 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.2 p -160.59 70.3 2.83 Favored Pre-proline 0 CA--C 1.557 1.248 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.967 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -57.47 -43.16 53.97 Favored 'Trans proline' 0 N--CA 1.497 1.7 0 C-N-CA 120.893 1.062 . . . . 0.0 112.408 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -72.74 151.53 91.18 Favored Pre-proline 0 CA--C 1.55 0.949 0 CA-C-O 118.822 -0.609 . . . . 0.0 110.41 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -70.18 -31.11 19.24 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 CA-C-N 121.302 1.501 . . . . 0.0 113.366 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -152.96 73.39 7.09 Favored Pre-proline 0 CA--C 1.551 0.989 0 O-C-N 124.172 0.92 . . . . 0.0 110.883 -178.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -73.57 -13.91 24.83 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 121.298 1.332 . . . . 0.0 111.917 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.2 mt -62.55 -41.9 99.19 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.965 -178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 49.87 66.23 5.88 Favored Pre-proline 0 CA--C 1.55 0.943 0 O-C-N 124.109 0.881 . . . . 0.0 110.897 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -73.36 153.74 50.65 Favored 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 121.237 1.291 . . . . 0.0 111.412 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -127.66 140.97 51.75 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 124.497 1.123 . . . . 0.0 109.83 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.82 -171.51 53.57 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.651 -0.979 . . . . 0.0 110.651 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.27 18.83 79.88 Favored Glycine 0 C--N 1.332 0.306 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -63.86 -52.54 59.56 Favored 'General case' 0 C--O 1.212 -0.903 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -48.48 -24.58 1.33 Allowed 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -178.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.1 mm -108.18 114.15 45.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 O-C-N 123.972 0.795 . . . . 0.0 110.183 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.8 t -73.96 150.67 40.63 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.53 -15.38 59.89 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 121.5 -0.08 . . . . 0.0 111.194 -178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.5 mt -114.74 -78.04 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 O-C-N 124.71 1.256 . . . . 0.0 110.636 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.9 m -63.34 -12.57 30.98 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -176.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.17 -18.65 9.5 Favored Glycine 0 C--O 1.217 -0.945 0 CA-C-O 117.861 -1.522 . . . . 0.0 113.34 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -165.88 18.54 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -94.19 6.89 47.19 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 118.567 0.621 . . . . 0.0 111.65 177.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.54 63.71 5.95 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.79 0.805 . . . . 0.0 109.147 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -173.78 -9.12 0.01 OUTLIER 'General case' 0 C--O 1.237 0.415 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.218 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -149.6 -129.84 0.05 Allowed 'General case' 0 CA--C 1.549 0.912 0 O-C-N 123.042 0.214 . . . . 0.0 111.536 -178.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -65.29 134.48 53.7 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 122.239 -0.288 . . . . 0.0 110.385 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -104.41 40.51 1.46 Allowed 'General case' 0 C--N 1.345 0.374 0 O-C-N 124.488 1.118 . . . . 0.0 109.702 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -83.08 -31.45 27.3 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.881 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.9 p -77.84 -13.04 60.01 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.6 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -64.94 -42.63 94.48 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.413 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.3 mtm -71.45 -43.81 65.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -82.47 174.09 11.4 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.568 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.8 mt -109.39 125.18 52.12 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 124.288 0.993 . . . . 0.0 108.782 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.1 p -80.35 163.67 23.72 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.757 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -82.05 138.59 34.81 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.643 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 82.0 m -63.48 -46.31 86.75 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.322 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -82.39 88.54 6.57 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.697 0.623 . . . . 0.0 110.451 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.8 mtm-85 -78.86 133.41 36.99 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.706 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -84.07 108.8 17.22 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 123.813 0.696 . . . . 0.0 110.335 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -88.67 127.82 35.59 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.88 0.738 . . . . 0.0 110.099 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -73.89 134.14 43.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.144 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -64.49 -40.97 96.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 t -72.49 112.71 8.79 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.469 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -131.9 113.34 13.34 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 124.403 1.064 . . . . 0.0 109.643 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.4 t -62.97 -44.25 96.56 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.98 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -146.82 134.92 21.56 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 124.186 0.929 . . . . 0.0 109.843 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -82.91 19.44 1.37 Allowed 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.565 0.541 . . . . 0.0 111.132 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -62.13 -48.15 81.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.842 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.43 15.08 0.25 Allowed 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.231 0.539 . . . . 0.0 109.973 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -60.13 -47.28 86.58 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.067 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -67.18 -53.74 27.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.783 0.325 . . . . 0.0 111.461 -178.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.7 mt -60.87 -68.42 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.515 -178.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 22.8 t -91.02 113.53 25.81 Favored 'General case' 0 C--N 1.339 0.146 0 O-C-N 123.969 0.793 . . . . 0.0 109.262 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -70.4 -34.87 73.05 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.849 -178.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.67 -27.88 62.37 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -177.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.77 -24.63 65.91 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.828 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -54.74 -45.27 74.11 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.084 -177.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -80.19 -51.25 9.18 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.53 0.519 . . . . 0.0 111.446 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -139.52 113.56 8.8 Favored 'General case' 0 C--O 1.219 -0.55 0 O-C-N 124.376 1.047 . . . . 0.0 109.169 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.3 mmtt -53.14 138.66 30.85 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 124.266 0.979 . . . . 0.0 111.379 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.54 16.93 11.26 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 124.924 1.39 . . . . 0.0 110.088 179.416 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.6 mt -59.4 -1.3 0.21 Allowed 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.05 -45.13 94.92 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 121.939 -0.476 . . . . 0.0 110.835 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -58.63 -70.87 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.331 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -73.18 123.52 23.81 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 117.972 0.351 . . . . 0.0 110.453 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -72.19 140.83 48.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.189 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -72.9 138.99 46.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.787 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -152.69 147.96 26.72 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.824 0.702 . . . . 0.0 110.793 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -70.17 141.0 52.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.448 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -65.28 -40.21 93.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.519 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.05 -37.17 94.22 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 73.12 19.75 79.72 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.856 -0.897 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.0 m -71.35 147.96 47.5 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 110.359 -0.238 . . . . 0.0 110.359 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 18.4 ttp -62.58 -42.72 99.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.25 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 170.0 128.64 1.03 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.746 -0.941 . . . . 0.0 110.746 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 8.4 ttp -65.1 -42.23 94.19 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.4 m -61.32 -43.07 99.49 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.734 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.63 16.64 76.05 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 78.2 p -62.37 -36.4 82.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.792 0.33 . . . . 0.0 110.686 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 177.24 -174.32 46.92 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.6 t -155.33 161.66 41.02 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.814 0.361 . . . . 0.0 110.717 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.68 19.12 77.77 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 59.4 t80 . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.211 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.8 mtm . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.72 -43.44 94.21 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -165.56 72.62 1.34 Allowed Pre-proline 0 CA--C 1.545 0.767 0 CA-C-O 119.325 -0.369 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -60.25 145.4 98.63 Favored 'Trans proline' 0 N--CA 1.499 1.829 0 C-N-CA 121.168 1.246 . . . . 0.0 110.944 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.96 157.44 69.39 Favored Pre-proline 0 CA--C 1.552 1.022 0 CA-C-O 117.941 -1.028 . . . . 0.0 109.797 -178.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -50.82 -41.71 54.03 Favored 'Trans proline' 0 N--CA 1.51 2.451 0 C-N-CA 121.64 1.56 . . . . 0.0 113.218 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -154.0 148.73 19.67 Favored Pre-proline 0 CA--C 1.552 1.033 0 CA-C-O 118.356 -0.83 . . . . 0.0 109.135 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -76.88 7.17 3.71 Favored 'Trans proline' 0 N--CA 1.504 2.104 0 CA-C-N 121.499 1.571 . . . . 0.0 112.965 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 49.54 71.61 1.52 Allowed Pre-proline 0 CA--C 1.547 0.837 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.408 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -57.14 -29.13 82.21 Favored 'Trans proline' 0 N--CA 1.503 2.042 0 C-N-CA 122.085 1.857 . . . . 0.0 112.086 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.11 -41.18 99.3 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.563 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -155.11 74.37 5.53 Favored Pre-proline 0 CA--C 1.559 1.297 0 O-C-N 123.918 0.761 . . . . 0.0 111.229 -178.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -55.82 -35.42 93.7 Favored 'Trans proline' 0 N--CA 1.504 2.143 0 C-N-CA 122.109 1.873 . . . . 0.0 112.945 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.7 ttt85 -60.72 -43.56 97.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.943 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.05 -101.59 1.14 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.296 -1.122 . . . . 0.0 110.296 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.08 21.96 79.41 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -59.23 138.1 57.72 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-O 121.694 0.759 . . . . 0.0 109.494 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -59.44 -53.28 59.98 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 114.233 -1.349 . . . . 0.0 112.788 -176.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.0 mp -99.17 120.58 48.69 Favored 'Isoleucine or valine' 0 C--N 1.346 0.445 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.2 t -70.32 144.54 51.66 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.68 -8.28 53.15 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -176.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.8 mt -118.64 -74.76 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 124.5 1.125 . . . . 0.0 111.23 -177.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -71.05 -28.33 64.29 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.452 -176.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.72 -23.4 16.82 Favored Glycine 0 CA--C 1.525 0.689 0 O-C-N 124.113 0.883 . . . . 0.0 111.621 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -146.5 16.55 1.3 Allowed 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 -177.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.437 HD22 ' H ' ' A' ' 33' ' ' THR . 2.4 m-20 -77.66 -40.76 40.6 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 118.924 0.784 . . . . 0.0 110.099 177.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.13 -34.73 32.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 124.655 1.222 . . . . 0.0 109.354 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -75.14 -54.43 7.15 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.459 177.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -95.35 -134.3 0.2 Allowed 'General case' 0 N--CA 1.483 1.22 0 O-C-N 124.043 0.839 . . . . 0.0 111.856 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -73.28 173.15 9.91 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 117.994 0.361 . . . . 0.0 110.65 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -128.14 46.88 2.5 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 124.284 0.99 . . . . 0.0 109.826 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -102.64 -28.71 11.97 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.914 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.437 ' H ' HD22 ' A' ' 26' ' ' ASN . 3.1 p -83.29 -6.37 59.45 Favored 'General case' 0 N--CA 1.471 0.575 0 O-C-N 123.575 0.547 . . . . 0.0 109.883 -179.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.44 -37.88 85.15 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.904 178.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 35.3 mtm -65.96 -41.67 90.94 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -156.18 137.78 14.14 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.51 0.506 . . . . 0.0 110.551 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.22 126.44 30.62 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 32.2 m -83.57 121.85 27.79 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.752 0.658 . . . . 0.0 109.708 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -79.45 131.86 36.2 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.337 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.8 t -156.74 148.28 22.46 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.652 0.595 . . . . 0.0 110.466 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -81.0 85.07 6.33 Favored 'General case' 0 N--CA 1.462 0.168 0 O-C-N 123.759 0.662 . . . . 0.0 110.368 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -73.23 132.35 43.07 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.746 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.5 p-10 -67.77 135.11 52.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.486 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -61.72 -48.01 82.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.658 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -68.34 127.31 32.49 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.508 HD22 HH12 ' A' ' 61' ' ' ARG . 10.8 t-20 -78.96 129.3 34.33 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.53 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.9 m -65.49 -42.72 91.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.125 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -138.92 149.95 45.37 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 124.215 0.947 . . . . 0.0 109.712 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.7 p -159.94 156.63 27.51 Favored 'General case' 0 N--CA 1.463 0.176 0 O-C-N 123.438 0.462 . . . . 0.0 110.614 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -149.36 150.28 32.21 Favored 'General case' 0 N--CA 1.464 0.237 0 O-C-N 124.09 0.869 . . . . 0.0 109.431 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -92.16 -11.71 34.82 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 124.014 0.821 . . . . 0.0 110.952 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt -63.77 -40.36 96.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.797 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 10.4 t -96.21 146.9 24.3 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 123.767 0.667 . . . . 0.0 110.977 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.5 m -57.95 -1.31 0.11 Allowed 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 75.08 -11.94 1.01 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.544 1.138 . . . . 0.0 111.85 179.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.22 -53.14 57.74 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.7 t -93.61 126.78 38.96 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 124.2 0.937 . . . . 0.0 108.821 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -73.34 -40.62 64.3 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -176.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -74.1 -24.97 59.54 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -177.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.4 m -64.18 -20.71 66.2 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.287 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.508 HH12 HD22 ' A' ' 46' ' ' ASN . 99.6 mtt180 -57.58 -36.23 71.42 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.236 -177.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -90.38 -53.9 4.24 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.932 0.77 . . . . 0.0 111.935 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -140.67 115.87 9.91 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 124.293 0.996 . . . . 0.0 109.662 -178.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -50.08 144.5 6.85 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 124.184 0.928 . . . . 0.0 112.562 -178.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.76 26.69 6.6 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.795 1.309 . . . . 0.0 110.99 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.4 mt -63.95 2.69 0.48 Allowed 'General case' 0 CA--C 1.554 1.098 0 O-C-N 120.965 -1.085 . . . . 0.0 112.416 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.23 -39.9 65.1 Favored 'General case' 0 N--CA 1.454 -0.271 0 O-C-N 122.063 -0.398 . . . . 0.0 111.993 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.9 pt -62.13 -63.22 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.74 0 C-N-CA 120.098 -0.641 . . . . 0.0 111.237 -178.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -64.84 128.69 36.84 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 118.809 0.731 . . . . 0.0 110.316 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -72.22 136.53 46.4 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.215 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -64.8 135.13 55.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.258 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -65.56 -41.01 93.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.726 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -70.36 135.04 48.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.438 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -66.1 -40.29 90.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.491 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.56 19.7 79.73 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.65 155.84 51.6 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.8 p -71.4 160.07 33.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.83 0.348 . . . . 0.0 110.572 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 43.5 mtp -63.96 -40.44 96.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.371 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -170.15 172.02 43.73 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 50.6 mtt -64.43 -39.88 94.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.757 0.313 . . . . 0.0 110.256 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.8 t -61.37 -43.97 97.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.737 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.43 22.69 78.81 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.3 t -162.12 156.52 22.06 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.819 0.342 . . . . 0.0 110.565 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -67.56 158.14 51.42 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.2 p -75.73 165.01 25.68 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.636 0.255 . . . . 0.0 110.491 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 72.69 -169.57 52.14 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.913 -1.041 . . . . 0.0 110.538 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.2 mtp . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -64.84 -35.31 91.75 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.43 172.36 1.32 Allowed Pre-proline 0 CA--C 1.543 0.695 0 CA-C-O 119.219 -0.42 . . . . 0.0 110.906 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -62.56 151.23 84.44 Favored 'Trans proline' 0 N--CA 1.498 1.741 0 CA-C-N 120.479 1.207 . . . . 0.0 111.413 178.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 51.7 t -140.04 70.52 35.1 Favored Pre-proline 0 CA--C 1.557 1.214 0 O-C-N 123.91 0.756 . . . . 0.0 110.198 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -56.2 -39.95 87.92 Favored 'Trans proline' 0 N--CA 1.503 2.075 0 C-N-CA 121.934 1.756 . . . . 0.0 112.446 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.46 161.87 74.88 Favored Pre-proline 0 CA--C 1.546 0.809 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.93 -179.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -74.9 -178.98 4.52 Favored 'Trans proline' 0 N--CA 1.501 1.944 0 C-N-CA 121.585 1.523 . . . . 0.0 112.165 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -160.74 74.23 2.74 Favored Pre-proline 0 CA--C 1.553 1.077 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.094 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -64.61 -22.28 64.86 Favored 'Trans proline' 0 N--CA 1.5 1.867 0 C-N-CA 121.435 1.423 . . . . 0.0 111.94 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.6 mt -60.35 -41.85 94.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.075 -178.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 49.15 69.51 2.65 Favored Pre-proline 0 CA--C 1.546 0.813 0 O-C-N 124.147 0.904 . . . . 0.0 110.795 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -57.45 142.25 95.17 Favored 'Trans proline' 0 N--CA 1.499 1.798 0 C-N-CA 121.391 1.394 . . . . 0.0 111.959 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.4 ttm-85 -62.79 -44.61 95.72 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.77 -174.71 45.52 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -169.11 151.54 17.92 Favored Glycine 0 CA--C 1.517 0.165 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -72.74 -48.14 41.03 Favored 'General case' 0 C--O 1.208 -1.118 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -54.62 -35.07 63.02 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -178.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.8 mm -110.14 117.38 54.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 O-C-N 124.333 1.02 . . . . 0.0 109.594 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.0 t -69.42 139.45 54.06 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.883 178.17 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.17 -11.18 60.02 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.914 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.8 mt -109.54 -72.3 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 O-C-N 124.416 1.072 . . . . 0.0 110.65 -178.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.4 m -66.22 -16.98 64.45 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.88 -177.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.88 -8.84 13.24 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.841 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -155.25 15.15 0.39 Allowed 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -97.39 -130.8 0.19 Allowed 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 118.412 0.551 . . . . 0.0 109.709 176.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 48.26 59.54 4.22 Favored 'General case' 0 C--N 1.35 0.588 0 C-N-CA 123.506 0.722 . . . . 0.0 111.409 177.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -159.11 -30.8 0.07 Allowed 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.055 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -145.45 -95.9 0.1 Allowed 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.554 0.534 . . . . 0.0 111.99 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -90.61 131.39 36.35 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 122.746 0.418 . . . . 0.0 110.654 -178.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -93.83 47.65 1.23 Allowed 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.995 0.81 . . . . 0.0 109.964 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -83.42 -31.72 26.49 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.234 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.6 p -78.15 -13.45 59.86 Favored 'General case' 0 C--N 1.333 -0.122 0 O-C-N 123.446 0.466 . . . . 0.0 110.427 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -71.93 -6.58 42.95 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.053 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.7 mtp -122.91 152.44 40.8 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 124.538 1.149 . . . . 0.0 110.031 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -76.76 98.93 4.94 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.244 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 69.4 mt -76.85 145.92 38.06 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.799 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.0 m -63.64 -46.5 85.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.243 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -83.33 83.0 8.03 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.726 0.642 . . . . 0.0 110.769 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.4 p -68.97 -36.97 78.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.695 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -80.28 112.85 18.0 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.631 0.582 . . . . 0.0 110.156 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -128.34 104.3 7.64 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 124.545 1.153 . . . . 0.0 109.741 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -76.46 114.2 14.9 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.789 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -84.75 141.68 30.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.551 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.83 -43.34 93.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.465 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 53.98 33.98 18.64 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.968 0.793 . . . . 0.0 110.742 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.3 m -63.56 -47.66 80.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.224 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -136.6 138.56 41.32 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 124.211 0.944 . . . . 0.0 109.315 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.0 t -164.73 152.92 12.12 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.897 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -147.65 151.78 36.76 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 124.099 0.875 . . . . 0.0 109.185 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -110.47 10.88 23.2 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 123.952 0.782 . . . . 0.0 110.168 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.93 -43.41 98.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.925 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 6.8 m -78.4 -147.01 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.316 0 O-C-N 123.376 0.423 . . . . 0.0 110.222 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.9 m -86.15 83.51 7.72 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.33 0.652 . . . . 0.0 109.958 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -44.73 -31.84 1.32 Allowed 'General case' 0 N--CA 1.478 0.938 0 O-C-N 124.428 1.08 . . . . 0.0 111.714 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.8 mt -61.17 -47.41 86.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.559 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.1 t -91.15 116.12 28.56 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 123.882 0.739 . . . . 0.0 109.086 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -66.02 -36.36 83.07 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -176.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.68 -26.21 54.53 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -177.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -62.09 -22.53 65.86 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.981 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -57.45 -35.84 70.63 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.967 -178.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -89.04 -54.62 4.04 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.929 0.768 . . . . 0.0 111.361 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -142.69 118.06 10.25 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 124.222 0.951 . . . . 0.0 109.888 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.8 mmtt -51.57 135.59 27.95 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.858 0.724 . . . . 0.0 112.202 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.43 30.86 6.88 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 124.892 1.37 . . . . 0.0 110.114 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.1 mt -67.63 1.5 2.39 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.635 -0.666 . . . . 0.0 111.935 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.96 -52.04 65.62 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.3 pt -58.06 -55.97 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 120.261 -0.575 . . . . 0.0 111.56 -177.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -56.65 -40.56 75.67 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 118.105 0.411 . . . . 0.0 111.123 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -149.83 108.17 3.78 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.893 0.745 . . . . 0.0 110.748 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -65.36 -39.72 92.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.266 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -72.34 142.76 48.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.481 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -71.18 144.87 50.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.676 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -65.66 -40.69 92.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.656 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -173.24 178.72 45.07 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -170.51 -163.78 25.13 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.7 t -60.96 -43.18 99.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 110.687 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 49.2 mtp -64.63 -40.27 95.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.085 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 74.23 -178.72 43.74 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 44.5 mtp -64.05 -40.68 96.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.633 0.254 . . . . 0.0 110.423 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.7 m -71.1 147.37 48.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.59 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -67.05 175.06 24.82 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.9 p -159.88 161.46 34.38 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 110.695 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.06 21.36 78.36 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.5 p -76.86 165.48 24.64 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.816 0.341 . . . . 0.0 110.555 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.74 20.01 78.38 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 87.7 t80 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.419 -179.801 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.6 mtm . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 70.46 23.43 77.55 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.856 -0.897 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.14 174.45 3.71 Favored Pre-proline 0 CA--C 1.542 0.664 0 CA-C-O 118.77 -0.633 . . . . 0.0 110.014 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -59.76 142.56 98.91 Favored 'Trans proline' 0 N--CA 1.503 2.052 0 CA-C-N 120.752 1.304 . . . . 0.0 112.06 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.5 t -129.1 53.5 11.69 Favored Pre-proline 0 CA--C 1.558 1.251 0 O-C-N 124.341 1.025 . . . . 0.0 110.55 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.7 -16.82 54.96 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 CA-C-N 120.018 1.042 . . . . 0.0 111.877 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.92 174.56 3.06 Favored Pre-proline 0 CA--C 1.544 0.733 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -62.45 -161.86 0.04 OUTLIER 'Trans proline' 0 N--CA 1.504 2.096 0 CA-C-N 121.523 1.58 . . . . 0.0 113.438 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -146.7 75.64 12.03 Favored Pre-proline 0 CA--C 1.543 0.691 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.302 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -59.47 -28.42 87.45 Favored 'Trans proline' 0 N--CA 1.501 1.937 0 C-N-CA 121.694 1.596 . . . . 0.0 111.458 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.96 -41.23 97.76 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.77 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 49.82 68.96 2.96 Favored Pre-proline 0 CA--C 1.551 1.014 0 O-C-N 124.084 0.865 . . . . 0.0 111.514 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.7 -36.42 81.67 Favored 'Trans proline' 0 N--CA 1.506 2.21 0 C-N-CA 122.036 1.824 . . . . 0.0 113.301 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -62.29 -40.53 96.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.237 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.69 -121.89 26.35 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.689 -0.965 . . . . 0.0 110.689 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.12 19.35 78.47 Favored Glycine 0 C--O 1.226 -0.381 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.32 -51.28 58.92 Favored 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.95 -24.16 15.5 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -177.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.4 mt -113.55 113.16 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 O-C-N 124.266 0.979 . . . . 0.0 109.025 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.6 t -71.99 149.46 44.97 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.89 -11.38 59.81 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.3 mt -116.14 -78.68 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 124.776 1.297 . . . . 0.0 109.819 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.0 m -63.19 -14.82 53.43 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -176.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.23 -25.4 7.96 Favored Glycine 0 CA--C 1.525 0.682 0 CA-C-O 118.486 -1.175 . . . . 0.0 113.12 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.6 p30 -166.54 17.66 0.03 OUTLIER 'General case' 0 CA--C 1.559 1.298 0 CA-C-N 119.187 1.494 . . . . 0.0 114.048 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -96.55 14.37 24.95 Favored 'General case' 0 N--CA 1.5 2.052 0 CA-C-O 121.485 0.66 . . . . 0.0 110.881 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.96 -61.39 2.61 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.337 -1.301 . . . . 0.0 108.013 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -2.08 -71.98 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 O-C-N 126.295 2.247 . . . . 0.0 114.235 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -156.1 -45.67 0.08 Allowed 'General case' 0 N--CA 1.475 0.807 0 O-C-N 123.867 0.729 . . . . 0.0 111.214 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -74.03 78.29 1.7 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.695 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -84.35 41.05 0.81 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.388 0.613 . . . . 0.0 109.828 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -83.69 -33.83 25.08 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.495 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.4 p -79.62 -9.04 59.57 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.659 0.599 . . . . 0.0 110.807 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -65.87 -18.04 65.07 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.665 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 34.3 mmm -81.01 138.92 36.03 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.721 0.638 . . . . 0.0 110.027 179.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -79.69 93.32 5.52 Favored 'General case' 0 N--CA 1.463 0.217 0 O-C-N 123.579 0.549 . . . . 0.0 111.219 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 mt -117.04 118.26 31.9 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 124.371 1.044 . . . . 0.0 109.468 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.5 p -73.52 -26.2 60.77 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.441 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -60.99 -44.66 97.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.151 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.7 p -74.4 80.34 1.89 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.538 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -73.78 142.05 46.23 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.285 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.7 mtp85 -71.5 142.31 50.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.04 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -69.06 132.11 46.1 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.057 0.456 . . . . 0.0 110.007 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -64.71 -44.35 90.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.011 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.72 -43.95 95.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.617 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.0 t30 54.58 39.21 31.02 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.902 0.751 . . . . 0.0 111.2 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.9 t -74.08 131.47 41.36 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.81 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -67.51 140.75 57.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.409 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 38.4 t -62.48 -42.55 99.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -157.59 173.47 16.81 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 123.494 0.496 . . . . 0.0 110.013 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -131.26 32.24 4.27 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 124.11 0.881 . . . . 0.0 111.26 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.72 -48.6 76.41 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.857 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -169.59 164.25 10.26 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.114 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 57.1 m 35.59 70.09 0.16 Allowed 'General case' 0 C--N 1.355 0.834 0 O-C-N 124.934 1.396 . . . . 0.0 112.258 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -56.24 -26.46 51.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.878 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.66 -47.87 81.8 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 24.4 t -94.12 111.77 23.52 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 124.283 0.99 . . . . 0.0 109.787 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -68.46 -36.11 78.54 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.753 -177.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.94 -26.2 60.37 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -177.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -61.18 -26.65 67.86 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.332 0.586 . . . . 0.0 110.054 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -60.61 -38.27 84.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.836 -177.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -88.74 -52.85 4.91 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.856 0.723 . . . . 0.0 111.539 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -137.11 116.15 12.42 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 124.394 1.059 . . . . 0.0 109.639 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -54.38 133.96 45.46 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 123.808 0.692 . . . . 0.0 111.526 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -123.51 18.1 9.66 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 125.054 1.471 . . . . 0.0 111.078 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.49 2.16 0.11 Allowed 'General case' 0 CA--C 1.554 1.132 0 O-C-N 121.045 -1.034 . . . . 0.0 113.086 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.28 -42.18 79.93 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 121.611 -0.681 . . . . 0.0 111.185 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 pt -59.71 -69.39 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.365 -178.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -76.09 127.97 34.04 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 118.022 0.374 . . . . 0.0 110.755 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -71.63 134.28 46.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.665 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -70.0 135.05 48.95 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -70.2 131.93 44.99 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.598 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -66.41 -40.29 89.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.594 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -152.94 147.37 25.87 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.914 0.759 . . . . 0.0 110.299 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.11 159.49 49.66 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.63 150.78 51.04 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 66.1 m -61.22 -39.85 91.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.814 0.34 . . . . 0.0 110.777 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 46.4 mtp -63.58 -40.51 97.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.158 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.66 149.18 50.38 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 39.0 mtt -64.92 -39.95 94.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.744 0.307 . . . . 0.0 110.381 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.7 m -69.47 147.44 50.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.49 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 170.8 -26.78 0.1 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.099 -0.801 . . . . 0.0 111.099 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.1 m -68.54 142.72 55.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.813 0.34 . . . . 0.0 110.544 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -65.09 -35.62 91.99 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.4 p -72.56 -19.06 61.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.75 0.309 . . . . 0.0 110.567 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.39 -40.5 98.73 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.735 179.879 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.2 mtp . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.43 19.1 79.66 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 50.75 71.33 1.58 Allowed Pre-proline 0 CA--C 1.545 0.763 0 C-N-CA 122.888 0.475 . . . . 0.0 112.204 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -58.48 144.04 97.27 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 121.33 1.353 . . . . 0.0 111.784 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.2 m -134.15 76.06 64.35 Favored Pre-proline 0 CA--C 1.559 1.301 0 O-C-N 124.388 1.055 . . . . 0.0 110.075 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -56.79 -35.7 98.16 Favored 'Trans proline' 0 N--CA 1.502 1.98 0 C-N-CA 121.577 1.518 . . . . 0.0 111.531 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 66.3 t80 52.36 71.25 1.52 Allowed Pre-proline 0 CA--C 1.548 0.883 0 O-C-N 124.304 1.003 . . . . 0.0 111.29 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -82.63 4.07 7.35 Favored 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 122.104 1.869 . . . . 0.0 112.218 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.2 t70 51.21 70.72 1.82 Allowed Pre-proline 0 CA--C 1.552 1.038 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.492 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -57.83 -25.11 67.52 Favored 'Trans proline' 0 N--CA 1.503 2.066 0 C-N-CA 121.842 1.695 . . . . 0.0 112.28 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.4 mt -60.26 -42.38 95.25 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.222 -178.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 49.01 63.15 10.92 Favored Pre-proline 0 CA--C 1.547 0.836 0 O-C-N 123.848 0.718 . . . . 0.0 111.453 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.47 153.35 55.25 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 121.306 1.337 . . . . 0.0 112.358 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -70.25 140.78 52.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.899 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.02 160.49 50.47 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.29 156.73 50.2 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -72.46 -47.47 48.61 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 178.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -62.37 -51.23 68.4 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.001 -0.679 . . . . 0.0 112.284 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.3 mp -105.05 124.1 59.56 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 O-C-N 123.59 0.556 . . . . 0.0 110.758 -177.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 t -81.69 144.1 31.4 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 177.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.11 -11.23 56.64 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -176.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.2 mt -116.74 -70.8 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 O-C-N 124.563 1.164 . . . . 0.0 111.801 -177.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -79.0 -27.73 43.32 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -176.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.98 -9.18 57.88 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-O 119.011 -0.883 . . . . 0.0 112.196 -178.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -148.03 16.22 1.07 Allowed 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 -177.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.46 -38.76 21.41 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 118.935 0.788 . . . . 0.0 109.914 177.316 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.89 -33.91 67.35 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.307 -177.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -81.21 -40.61 23.58 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.216 177.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -108.02 -136.85 0.36 Allowed 'General case' 0 N--CA 1.486 1.345 0 O-C-N 124.362 1.039 . . . . 0.0 113.082 -177.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -68.25 -168.46 0.11 Allowed 'General case' 0 N--CA 1.474 0.748 0 O-C-N 122.171 -0.33 . . . . 0.0 111.539 -178.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -138.15 25.86 2.7 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 123.613 0.571 . . . . 0.0 110.902 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -96.48 -14.43 22.35 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 124.292 0.995 . . . . 0.0 111.284 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.9 p -79.32 -17.47 54.51 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 123.541 0.525 . . . . 0.0 110.804 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -67.76 -18.25 64.81 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.2 mmm -65.32 -41.94 93.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.694 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -85.87 113.96 22.42 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.934 0.771 . . . . 0.0 111.072 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.6 mt -72.54 148.48 44.95 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.0 p -139.58 162.84 34.11 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 124.415 1.072 . . . . 0.0 110.308 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -75.11 167.42 21.96 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.513 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.5 m -61.7 -45.62 93.2 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -79.98 103.0 9.56 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.525 0.516 . . . . 0.0 110.513 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -74.47 136.61 42.27 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.746 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -79.13 110.02 13.99 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 123.554 0.534 . . . . 0.0 110.591 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -80.24 137.74 36.69 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.446 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -70.6 133.12 46.42 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -63.6 -42.26 98.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.257 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 38.1 t -74.57 86.56 2.1 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.459 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -78.15 124.03 27.58 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.817 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.8 t -67.37 -46.68 72.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.525 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -153.11 155.31 36.53 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 123.986 0.804 . . . . 0.0 110.313 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -109.37 5.58 23.63 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 124.631 1.207 . . . . 0.0 110.155 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.78 -31.81 72.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.887 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 61.7 m -102.59 168.09 9.5 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 124.068 0.855 . . . . 0.0 111.637 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 84.9 p -59.1 -13.26 6.45 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.13 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t70 74.17 -8.15 1.5 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.225 1.01 . . . . 0.0 111.922 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.17 -48.93 76.29 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.4 t -93.43 127.57 39.11 Favored 'General case' 0 C--N 1.341 0.23 0 O-C-N 124.484 1.115 . . . . 0.0 108.653 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -72.74 -39.28 67.01 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -177.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.87 -25.75 59.19 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -177.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.4 m -61.92 -26.18 68.02 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.817 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -54.67 -35.02 63.12 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.804 0.69 . . . . 0.0 111.176 -178.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -91.52 -54.24 3.98 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.992 0.807 . . . . 0.0 111.317 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -144.38 118.11 9.25 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 124.086 0.866 . . . . 0.0 110.123 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.9 mmtt -49.2 143.75 5.78 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 124.139 0.9 . . . . 0.0 112.809 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.46 24.65 6.67 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 124.789 1.305 . . . . 0.0 110.567 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.7 mt -67.61 6.43 0.64 Allowed 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.81 -40.48 95.29 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.602 -0.686 . . . . 0.0 110.446 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.4 pt -71.2 -66.46 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 O-C-N 123.548 0.53 . . . . 0.0 111.402 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -72.43 125.41 27.34 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 118.726 0.694 . . . . 0.0 110.452 177.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -73.51 137.06 44.21 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.552 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -68.75 141.73 55.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.166 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -69.04 133.53 48.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.63 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -72.85 135.86 45.23 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.473 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -71.37 139.34 49.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.619 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.43 -35.71 92.42 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.71 -171.64 49.78 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.0 m -69.44 145.76 52.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 0.0 110.619 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 44.0 mtp -64.08 -40.95 97.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.145 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.6 0.67 63.79 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 34.5 mmm -65.02 -40.21 94.55 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.0 m -61.07 -41.84 97.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.675 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -62.94 -39.11 97.65 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.7 m -70.8 147.58 48.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.765 0.316 . . . . 0.0 110.509 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.18 -39.38 97.86 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 93.3 m -63.63 134.09 54.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.665 0.269 . . . . 0.0 110.44 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -168.69 171.25 42.71 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.935 -1.031 . . . . 0.0 109.979 -179.825 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.4 mtm . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.24 -177.79 38.87 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.07 -44.81 61.76 Favored Pre-proline 0 CA--C 1.544 0.723 0 CA-C-O 118.653 -0.689 . . . . 0.0 112.252 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -61.87 151.55 80.37 Favored 'Trans proline' 0 N--CA 1.501 1.925 0 CA-C-N 121.092 1.426 . . . . 0.0 111.974 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.9 t -139.51 71.74 37.74 Favored Pre-proline 0 CA--C 1.556 1.199 0 O-C-N 124.164 0.915 . . . . 0.0 110.201 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -56.54 -38.47 95.36 Favored 'Trans proline' 0 N--CA 1.502 1.982 0 C-N-CA 121.709 1.606 . . . . 0.0 112.157 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.7 163.06 67.37 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.389 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -76.71 -176.98 3.43 Favored 'Trans proline' 0 N--CA 1.5 1.86 0 C-N-CA 121.561 1.508 . . . . 0.0 111.114 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.93 170.61 10.36 Favored Pre-proline 0 CA--C 1.544 0.733 0 O-C-N 124.291 0.994 . . . . 0.0 109.755 -179.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -56.88 -37.82 97.31 Favored 'Trans proline' 0 N--CA 1.502 1.998 0 C-N-CA 121.343 1.362 . . . . 0.0 112.277 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.2 mt -69.67 -38.66 77.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.568 -178.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 33.55 67.77 1.11 Allowed Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 125.051 1.469 . . . . 0.0 113.131 -178.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.55 -38.03 83.36 Favored 'Trans proline' 0 N--CA 1.506 2.234 0 C-N-CA 121.951 1.767 . . . . 0.0 113.143 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -62.87 -44.27 96.56 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.99 -174.11 40.97 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.63 114.81 0.33 Allowed Glycine 0 CA--C 1.515 0.072 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -65.6 -49.06 70.13 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.67 -27.01 15.5 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -177.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.9 mt -114.6 118.22 57.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 O-C-N 124.359 1.037 . . . . 0.0 109.768 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.8 t -74.45 148.14 41.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.245 -0.889 . . . . 0.0 108.984 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.36 -10.51 59.46 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.3 mm -117.37 -72.88 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 O-C-N 124.714 1.259 . . . . 0.0 112.12 -177.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.82 -21.82 62.41 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -176.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.47 -15.61 61.94 Favored Glycine 0 CA--C 1.529 0.964 0 CA-C-O 118.466 -1.186 . . . . 0.0 113.547 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.7 p-10 -163.83 24.88 0.08 Allowed 'General case' 0 N--CA 1.485 1.286 0 CA-C-N 119.407 1.604 . . . . 0.0 113.963 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.5 -13.26 32.48 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 118.506 0.594 . . . . 0.0 111.503 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.68 64.12 3.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.204 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -157.12 -32.63 0.08 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.237 -1.347 . . . . 0.0 110.341 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -159.25 -83.01 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.182 0.301 . . . . 0.0 111.354 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -74.46 139.11 43.7 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -130.13 34.79 4.18 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 124.668 1.23 . . . . 0.0 108.188 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -82.78 -32.51 27.69 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.964 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.1 p -79.63 -6.53 57.29 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.421 0.451 . . . . 0.0 111.022 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -66.5 -18.36 65.32 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.624 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 57.4 mtp -80.64 133.76 35.78 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.682 0.614 . . . . 0.0 109.842 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -79.86 96.12 6.25 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.58 0.55 . . . . 0.0 110.605 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.4 mt -126.23 101.17 6.63 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 124.45 1.094 . . . . 0.0 109.889 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.4 p -69.99 -32.95 71.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.272 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -60.69 -44.69 96.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.218 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.7 m -61.22 127.77 33.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.212 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -81.17 169.03 17.89 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.463 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -64.41 99.95 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.238 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -87.3 16.94 4.74 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 123.737 0.648 . . . . 0.0 110.635 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -80.44 141.43 35.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.009 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -127.98 146.02 50.79 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 124.51 1.131 . . . . 0.0 109.856 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -73.49 102.17 3.74 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.658 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -77.13 135.55 38.57 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.136 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -69.76 130.0 41.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.229 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.6 p -78.95 164.09 24.69 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.191 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -159.87 -58.09 0.06 Allowed 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -92.54 -6.65 49.23 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 123.766 0.666 . . . . 0.0 111.175 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 49.58 93.02 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 O-C-N 124.024 0.828 . . . . 0.0 111.657 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.9 p -60.68 -170.07 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.391 0.615 . . . . 0.0 112.41 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.7 m -159.14 17.15 0.18 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.744 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -132.18 13.77 4.67 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 124.074 0.859 . . . . 0.0 111.256 -179.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 61.86 10.49 3.54 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.251 1.02 . . . . 0.0 111.528 178.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.3 t -85.28 117.91 24.5 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 114.488 -1.233 . . . . 0.0 108.65 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -67.29 -33.69 75.82 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -176.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -79.55 -24.14 42.33 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -177.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -61.69 -22.62 65.49 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.848 0.356 . . . . 0.0 110.686 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.2 -37.41 77.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.841 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -86.88 -54.48 4.33 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 123.796 0.685 . . . . 0.0 111.193 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -141.1 117.02 10.45 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 124.212 0.945 . . . . 0.0 109.71 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -52.98 138.97 29.04 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 123.982 0.802 . . . . 0.0 111.729 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.62 33.58 5.2 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 124.88 1.363 . . . . 0.0 110.411 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.2 mt -70.17 1.71 4.46 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.73 -0.606 . . . . 0.0 111.537 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.66 -49.3 69.13 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 121.892 -0.505 . . . . 0.0 110.795 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.0 pt -61.8 -47.39 93.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 C-N-CA 120.328 -0.549 . . . . 0.0 112.137 -178.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -63.55 129.68 41.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 118.178 0.444 . . . . 0.0 109.946 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -160.74 134.09 6.67 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.104 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -67.78 133.85 49.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.261 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -61.03 -41.3 96.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.632 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -71.69 133.56 45.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.411 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -66.08 -41.01 91.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.647 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.57 -166.15 53.16 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.74 156.38 49.25 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 86.3 p -72.42 162.03 30.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.774 0.321 . . . . 0.0 110.618 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 53.8 mtt -64.05 -40.71 96.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.177 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.91 19.58 79.75 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 18.2 ttp -62.63 -40.94 98.57 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.137 -0.319 . . . . 0.0 110.137 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.0 p -160.42 161.38 32.98 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.526 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -64.99 -35.04 91.43 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.2 p -158.64 166.66 31.54 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.636 0.257 . . . . 0.0 110.528 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.69 25.83 62.02 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.4 m -63.79 134.59 55.55 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -69.05 149.26 48.94 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 71.6 t80 . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.397 -179.778 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.8 mtp . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.84 21.63 79.62 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -162.64 70.7 2.1 Favored Pre-proline 0 CA--C 1.542 0.643 0 CA-C-O 119.489 -0.291 . . . . 0.0 111.189 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -62.48 150.58 86.96 Favored 'Trans proline' 0 N--CA 1.498 1.761 0 C-N-CA 121.056 1.17 . . . . 0.0 111.482 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.9 t -140.72 72.65 29.39 Favored Pre-proline 0 CA--C 1.553 1.078 0 O-C-N 124.064 0.852 . . . . 0.0 109.758 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -55.33 -38.46 93.79 Favored 'Trans proline' 0 N--CA 1.503 2.062 0 C-N-CA 121.738 1.625 . . . . 0.0 112.23 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -61.15 151.4 75.72 Favored Pre-proline 0 CA--C 1.548 0.874 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.664 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -71.65 -175.48 1.62 Allowed 'Trans proline' 0 N--CA 1.499 1.817 0 CA-C-N 121.318 1.507 . . . . 0.0 111.228 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -148.51 72.86 10.78 Favored Pre-proline 0 CA--C 1.544 0.74 0 O-C-N 123.762 0.664 . . . . 0.0 110.559 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -55.79 -36.01 94.52 Favored 'Trans proline' 0 N--CA 1.502 2.029 0 C-N-CA 121.778 1.652 . . . . 0.0 112.133 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 73.8 mt -66.43 -41.18 89.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.431 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -138.47 75.81 37.91 Favored Pre-proline 0 CA--C 1.552 1.029 0 O-C-N 124.335 1.022 . . . . 0.0 110.969 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -60.37 146.09 97.34 Favored 'Trans proline' 0 N--CA 1.5 1.864 0 C-N-CA 121.262 1.308 . . . . 0.0 112.183 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -71.05 142.46 50.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.415 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.42 -169.14 16.13 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.37 23.45 75.59 Favored Glycine 0 N--CA 1.461 0.348 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.04 -54.77 29.01 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -51.6 -25.64 7.31 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -177.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.6 mm -104.66 113.53 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 O-C-N 124.195 0.934 . . . . 0.0 109.704 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.5 t -75.93 150.88 37.44 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.84 -13.52 59.76 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 111.326 0.121 . . . . 0.0 111.326 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.0 mt -114.48 -78.95 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 O-C-N 124.778 1.299 . . . . 0.0 110.255 -178.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.66 -11.77 39.07 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -176.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.99 -21.27 6.96 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 118.525 -1.153 . . . . 0.0 112.83 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -165.66 20.48 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -178.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -94.59 4.02 54.37 Favored 'General case' 0 N--CA 1.5 2.067 0 CA-C-N 118.881 0.764 . . . . 0.0 111.403 176.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.09 64.41 2.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.987 0.899 . . . . 0.0 109.031 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -176.8 -29.39 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.425 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -86.25 -147.79 0.13 Allowed 'General case' 0 N--CA 1.473 0.688 0 O-C-N 123.735 0.647 . . . . 0.0 111.846 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -78.73 -1.19 33.41 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 53.69 47.85 22.86 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 123.525 0.516 . . . . 0.0 111.055 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -88.75 -34.59 17.08 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.582 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 45.1 p -79.31 -9.73 59.65 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.428 0.455 . . . . 0.0 110.498 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.97 -27.84 69.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.464 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.8 mtm -81.05 149.57 29.19 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.853 0.72 . . . . 0.0 109.87 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -79.3 109.08 13.31 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.703 0.627 . . . . 0.0 111.367 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.9 mt -78.2 147.2 34.57 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.624 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.3 m -62.81 -45.24 93.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.283 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -151.51 158.58 43.79 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.894 0.746 . . . . 0.0 109.891 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 29.3 p -139.93 160.78 39.14 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 124.33 1.019 . . . . 0.0 109.842 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -79.76 117.58 20.78 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.662 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.9 mtm-85 -64.23 -39.24 93.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.064 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -76.29 109.75 10.24 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.612 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -80.22 137.19 36.62 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.409 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -74.89 143.07 43.98 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.191 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -76.12 79.09 2.94 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.745 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 81.0 m -81.54 146.67 30.04 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.72 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -71.38 162.94 28.63 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.412 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.6 t -163.81 103.94 0.91 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.202 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -83.23 -6.53 59.51 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.731 0.644 . . . . 0.0 110.766 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 51.07 48.84 22.35 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 123.925 0.766 . . . . 0.0 110.796 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.21 -47.74 83.11 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.008 -178.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 25.0 t -160.22 155.32 24.75 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.8 p 36.92 66.63 0.4 Allowed 'General case' 0 C--N 1.348 0.503 0 O-C-N 125.29 1.619 . . . . 0.0 111.639 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -51.93 -25.81 8.97 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 114.821 -1.082 . . . . 0.0 111.418 -177.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.2 mt -63.79 -40.83 97.6 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.9 t -86.6 111.36 20.55 Favored 'General case' 0 C--N 1.348 0.513 0 N-CA-C 108.507 -0.924 . . . . 0.0 108.507 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -68.58 -32.58 72.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.879 -0.6 . . . . 0.0 112.355 -177.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -74.42 -28.28 61.0 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -177.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.37 -28.49 68.24 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.351 0.596 . . . . 0.0 110.147 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.72 -37.81 85.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.055 -178.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -91.05 -53.78 4.23 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.662 0.601 . . . . 0.0 112.023 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -131.29 114.86 15.54 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 124.591 1.182 . . . . 0.0 109.695 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -58.17 130.14 45.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.14 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.51 11.12 15.84 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 125.233 1.583 . . . . 0.0 111.186 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.4 mt -53.34 -3.2 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -177.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.46 -46.24 89.41 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 121.569 -0.707 . . . . 0.0 110.586 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 pt -60.39 -86.32 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.295 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -70.79 125.38 26.68 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.647 0.26 . . . . 0.0 110.641 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -74.25 141.54 45.36 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.61 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -153.98 144.11 22.06 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.597 0.561 . . . . 0.0 109.53 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -153.5 146.62 24.62 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.879 0.737 . . . . 0.0 110.345 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -72.8 137.73 45.98 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.609 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -66.44 -41.91 88.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.776 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.55 -135.52 0.2 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.44 -168.93 52.32 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.5 t -67.03 143.13 56.92 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.1 mmm 50.88 72.28 0.37 Allowed 'General case' 0 N--CA 1.476 0.831 0 O-C-N 123.955 0.784 . . . . 0.0 110.827 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.96 154.92 52.71 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 18.3 ttp -63.32 -40.11 96.42 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.8 m -66.53 147.79 52.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.518 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -169.07 176.1 43.28 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.3 m -60.74 -41.52 95.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.829 0.347 . . . . 0.0 110.982 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.06 -41.61 99.69 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.6 p -78.59 165.23 23.92 Favored 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -72.01 166.22 53.57 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.411 179.891 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.3 mtp . . . . . 0 N--CA 1.492 1.649 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -64.06 -41.37 98.55 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.31 171.04 12.26 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-O 118.935 -0.555 . . . . 0.0 110.457 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -60.44 145.89 97.83 Favored 'Trans proline' 0 N--CA 1.499 1.851 0 CA-C-N 120.612 1.254 . . . . 0.0 111.854 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -80.65 151.01 70.89 Favored Pre-proline 0 CA--C 1.555 1.135 0 CA-C-O 118.85 -0.595 . . . . 0.0 111.0 -179.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -63.33 -26.01 71.43 Favored 'Trans proline' 0 N--CA 1.5 1.865 0 CA-C-N 121.244 1.48 . . . . 0.0 112.697 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.2 t80 51.4 71.27 1.57 Allowed Pre-proline 0 CA--C 1.549 0.923 0 O-C-N 123.844 0.715 . . . . 0.0 111.056 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -74.14 179.1 6.1 Favored 'Trans proline' 0 N--CA 1.491 1.339 0 CA-C-N 120.397 1.178 . . . . 0.0 112.552 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -166.97 -44.89 0.0 OUTLIER Pre-proline 0 CA--C 1.544 0.721 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.558 -179.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -59.23 -34.18 98.17 Favored 'Trans proline' 0 N--CA 1.5 1.881 0 CA-C-N 121.209 1.468 . . . . 0.0 112.259 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.4 mt -68.33 -42.18 79.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.485 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -140.46 72.59 31.07 Favored Pre-proline 0 CA--C 1.554 1.112 0 O-C-N 124.278 0.986 . . . . 0.0 110.631 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -56.95 -34.51 97.48 Favored 'Trans proline' 0 N--CA 1.504 2.095 0 C-N-CA 121.794 1.663 . . . . 0.0 111.961 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -71.02 141.29 50.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.92 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.34 -39.5 97.83 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.084 -0.807 . . . . 0.0 111.084 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.44 20.45 79.87 Favored Glycine 0 N--CA 1.46 0.288 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.93 -50.14 67.62 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.73 -24.29 2.24 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.9 mm -106.91 114.54 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 O-C-N 123.937 0.773 . . . . 0.0 110.421 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.8 t -74.93 151.02 38.91 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.48 -15.7 59.83 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 111.295 0.109 . . . . 0.0 111.295 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.1 mt -115.11 -77.91 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 O-C-N 124.743 1.277 . . . . 0.0 110.722 -178.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.41 -11.93 26.93 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -176.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.4 -18.37 8.57 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-O 118.135 -1.37 . . . . 0.0 113.203 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -166.19 18.24 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 119.456 1.628 . . . . 0.0 115.195 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -93.62 6.13 49.29 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-N 118.696 0.68 . . . . 0.0 111.304 177.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.16 64.11 4.88 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.688 0.756 . . . . 0.0 109.08 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -173.4 -11.73 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.242 178.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -147.78 -136.75 0.08 Allowed 'General case' 0 CA--C 1.546 0.818 0 O-C-N 123.373 0.421 . . . . 0.0 111.481 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -59.96 131.97 52.5 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 117.543 0.156 . . . . 0.0 110.714 -178.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -99.48 42.86 1.08 Allowed 'General case' 0 N--CA 1.465 0.296 0 O-C-N 124.535 1.147 . . . . 0.0 109.481 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -79.57 -34.83 40.56 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.248 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.7 p -79.06 -13.46 59.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.786 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -65.76 -34.34 77.96 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.221 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 36.0 mmm -75.42 145.19 41.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.272 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -68.68 140.85 55.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.627 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.7 mt -126.0 146.56 49.83 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 124.654 1.221 . . . . 0.0 109.272 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.3 p -79.93 2.65 22.64 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.598 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -151.85 158.35 43.13 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.915 0.759 . . . . 0.0 109.585 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.9 p -139.56 161.53 37.27 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 124.311 1.007 . . . . 0.0 110.151 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -65.94 137.86 57.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.405 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -64.17 -39.09 93.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.187 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -79.93 107.33 12.63 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.588 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -62.8 -46.22 89.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.756 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -73.88 141.57 46.06 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.31 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -74.06 150.27 40.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.485 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.4 t -73.09 121.85 20.87 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.382 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -77.04 97.28 4.63 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.013 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.6 p -64.47 -44.32 91.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -147.16 150.66 35.38 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 124.03 0.831 . . . . 0.0 109.527 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -79.15 45.54 0.64 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -71.05 -109.8 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 t -152.09 -158.72 0.93 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 t 38.93 48.06 1.33 Allowed 'General case' 0 C--N 1.352 0.689 0 O-C-N 124.427 1.079 . . . . 0.0 111.526 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -47.67 -29.57 3.1 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 114.196 -1.365 . . . . 0.0 111.331 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.5 mt -61.63 -46.43 89.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.415 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 19.7 t -93.33 112.45 24.38 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -70.69 -36.15 73.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.102 -178.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -71.28 -27.55 63.51 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -177.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.2 m -59.5 -25.12 64.2 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.682 0.277 . . . . 0.0 110.886 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -55.79 -43.45 76.85 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.35 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -79.36 -53.55 6.81 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.2 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -140.4 114.91 9.39 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 124.387 1.054 . . . . 0.0 109.238 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -53.02 137.93 31.85 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 124.219 0.949 . . . . 0.0 110.684 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.89 14.69 12.48 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 124.989 1.431 . . . . 0.0 110.283 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.1 mt -57.04 -3.63 0.14 Allowed 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -178.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.8 -43.28 99.22 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.816 -0.552 . . . . 0.0 111.209 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.92 -54.79 29.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.779 -178.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -56.12 -42.37 76.78 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 118.022 0.374 . . . . 0.0 110.658 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -71.89 143.61 49.3 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.232 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -70.73 133.54 46.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.159 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -71.38 133.21 45.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.725 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -66.45 -44.21 83.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -71.4 140.25 50.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.504 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 178.78 173.5 44.17 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.55 14.33 81.19 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 86.4 p -74.72 162.87 28.31 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.9 ttp -154.46 144.03 21.5 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 123.612 0.57 . . . . 0.0 109.883 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 72.04 27.49 70.25 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 34.0 mmm -63.35 -41.08 98.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.332 . . . . 0.0 110.284 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.2 p -62.24 -36.05 80.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.778 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.15 -132.36 33.43 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 84.8 p -67.54 156.59 36.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 110.589 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -65.76 164.28 39.12 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 m -74.62 133.37 42.17 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.26 10.75 81.97 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 79.3 t80 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.296 179.75 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.7 mtp . . . . . 0 N--CA 1.492 1.674 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -66.67 -39.55 93.77 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.99 72.9 1.46 Allowed Pre-proline 0 CA--C 1.543 0.706 0 CA-C-O 119.367 -0.349 . . . . 0.0 110.569 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -59.88 143.95 99.53 Favored 'Trans proline' 0 N--CA 1.498 1.755 0 C-N-CA 121.29 1.327 . . . . 0.0 111.232 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.9 t 54.05 68.72 2.58 Favored Pre-proline 0 CA--C 1.556 1.21 0 O-C-N 123.632 0.583 . . . . 0.0 110.516 -179.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -54.45 -44.97 44.51 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 121.053 1.169 . . . . 0.0 112.614 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -154.43 150.19 21.62 Favored Pre-proline 0 CA--C 1.55 0.98 0 O-C-N 124.242 0.964 . . . . 0.0 110.02 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.37 1.35 6.86 Favored 'Trans proline' 0 N--CA 1.496 1.645 0 CA-C-N 121.201 1.465 . . . . 0.0 112.577 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -149.32 73.11 10.02 Favored Pre-proline 0 CA--C 1.55 0.946 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.43 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -62.47 -23.0 74.75 Favored 'Trans proline' 0 N--CA 1.501 1.963 0 C-N-CA 121.604 1.536 . . . . 0.0 112.207 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.8 mt -59.75 -37.42 78.94 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.783 -178.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 50.78 70.65 1.88 Allowed Pre-proline 0 CA--C 1.548 0.88 0 O-C-N 124.207 0.942 . . . . 0.0 110.812 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -60.1 143.74 99.53 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 121.117 1.212 . . . . 0.0 112.0 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.24 -37.83 88.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.2 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.45 -172.11 48.45 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.64 122.04 0.62 Allowed Glycine 0 N--CA 1.458 0.147 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -68.76 -50.35 51.2 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -48.86 -27.85 3.34 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.18 0.925 . . . . 0.0 113.448 -178.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.5 mt -110.1 112.92 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 O-C-N 124.593 1.183 . . . . 0.0 109.566 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.4 t -69.29 148.54 49.61 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 177.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.85 -12.68 60.21 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.404 0.149 . . . . 0.0 111.404 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.6 mm -116.4 -77.6 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 124.94 1.4 . . . . 0.0 111.38 -178.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -66.3 -9.66 34.97 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -176.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.2 -20.84 5.45 Favored Glycine 0 CA--C 1.521 0.457 0 CA-C-O 118.377 -1.235 . . . . 0.0 113.526 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -167.05 16.74 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 119.458 1.629 . . . . 0.0 114.413 -179.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.474 ' N ' HD21 ' A' ' 26' ' ' ASN . 1.1 m-80 -93.48 7.09 45.92 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 118.225 0.466 . . . . 0.0 110.265 177.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.26 -61.65 1.97 Allowed 'General case' 0 C--O 1.233 0.214 0 O-C-N 124.724 1.265 . . . . 0.0 108.808 -179.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.84 -45.89 80.54 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.415 178.703 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.09 -175.31 1.14 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.096 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -55.84 138.4 48.32 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.866 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -88.46 40.94 0.99 Allowed 'General case' 0 C--N 1.344 0.344 0 O-C-N 124.034 0.834 . . . . 0.0 110.291 -178.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -82.75 -33.92 27.29 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.173 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.8 p -79.5 -10.71 59.85 Favored 'General case' 0 C--O 1.225 -0.188 0 O-C-N 123.595 0.559 . . . . 0.0 110.761 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.52 -36.64 83.19 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.428 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 63.5 mtt -69.04 -43.0 75.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.752 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -81.23 142.16 33.44 Favored 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.599 0.562 . . . . 0.0 110.84 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.0 mt -93.59 17.37 11.8 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 123.975 0.797 . . . . 0.0 109.736 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.8 p -82.7 163.9 21.04 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.798 0.686 . . . . 0.0 110.439 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -78.44 147.73 33.88 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.331 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.9 m -59.88 127.01 29.8 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.495 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -84.33 119.44 25.09 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.766 0.666 . . . . 0.0 110.802 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -68.89 140.37 55.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.116 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -69.02 137.71 53.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.935 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -62.07 -49.08 77.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.876 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -67.03 131.62 46.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.865 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -150.1 2.75 0.51 Allowed 'General case' 0 N--CA 1.471 0.594 0 O-C-N 123.915 0.759 . . . . 0.0 110.192 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.0 m -61.56 -46.36 90.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 62.8 tt0 -77.41 138.42 39.27 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.77 106.01 0.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.56 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -77.36 -49.71 14.34 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.095 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -163.7 104.28 0.93 Allowed 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.378 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -74.77 67.74 1.64 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.605 0.717 . . . . 0.0 109.483 179.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.406 ' HG ' ' HZ3' ' A' ' 64' ' ' LYS . 13.3 m -70.56 -72.54 0.2 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.515 -178.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 75.8 m -94.34 76.11 3.92 Favored 'General case' 0 C--N 1.342 0.282 0 O-C-N 124.128 0.893 . . . . 0.0 110.685 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -49.13 -27.38 3.42 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 115.025 -0.988 . . . . 0.0 111.708 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 32.0 mt -65.11 -43.99 90.25 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 10.9 t -92.49 112.44 24.39 Favored 'General case' 0 C--N 1.348 0.501 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -68.14 -31.38 70.92 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.413 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -75.12 -29.05 60.44 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.8 -23.91 65.4 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-O 120.672 0.273 . . . . 0.0 110.802 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -57.43 -35.44 70.09 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.873 -178.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -93.57 -52.86 4.29 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.023 0.827 . . . . 0.0 111.521 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -137.78 117.3 12.92 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 124.427 1.079 . . . . 0.0 109.998 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.406 ' HZ3' ' HG ' ' A' ' 53' ' ' CYS . 42.5 mmtt -54.68 137.78 43.22 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.273 0.983 . . . . 0.0 111.183 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.16 22.12 8.72 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 124.943 1.402 . . . . 0.0 110.489 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.6 mt -62.38 1.17 0.37 Allowed 'General case' 0 N--CA 1.481 1.08 0 O-C-N 121.229 -0.92 . . . . 0.0 113.194 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.48 -45.4 69.06 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 121.7 -0.625 . . . . 0.0 110.974 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.3 pt -62.29 -42.83 96.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 120.479 -0.488 . . . . 0.0 111.657 -178.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -58.21 -46.11 86.43 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 117.703 0.229 . . . . 0.0 110.609 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 -75.8 130.61 38.87 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.591 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -64.73 -45.14 87.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.522 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -74.27 127.99 34.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.619 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -62.89 -48.43 79.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -77.41 146.67 36.45 Favored 'General case' 0 C--O 1.232 0.136 0 O-C-N 123.46 0.475 . . . . 0.0 110.235 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.65 22.9 78.6 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.55 -40.54 99.25 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.7 t -72.16 142.42 49.08 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 55.0 mtp -71.55 142.82 50.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.507 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.93 161.1 54.07 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.856 -0.897 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 31.7 mmm -75.97 146.41 39.61 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.6 p -159.46 161.4 35.46 Favored 'General case' 0 C--O 1.232 0.18 0 O-C-N 123.606 0.566 . . . . 0.0 110.421 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.67 18.62 80.03 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 78.3 p -62.47 -40.11 95.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.662 0.268 . . . . 0.0 110.674 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -168.21 169.92 41.75 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 16.5 p -66.32 -32.54 74.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.811 0.339 . . . . 0.0 110.528 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.26 -37.69 95.28 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 54.9 t80 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.458 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.4 mtp . . . . . 0 N--CA 1.492 1.662 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.39 -40.49 96.41 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -163.85 72.45 1.77 Allowed Pre-proline 0 CA--C 1.545 0.784 0 CA-C-O 119.363 -0.351 . . . . 0.0 110.818 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -59.63 145.97 96.61 Favored 'Trans proline' 0 N--CA 1.499 1.821 0 C-N-CA 121.459 1.439 . . . . 0.0 111.703 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.2 t -73.5 121.97 86.45 Favored Pre-proline 0 CA--C 1.569 1.69 0 CA-C-O 117.85 -1.071 . . . . 0.0 110.04 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -54.41 -38.65 89.45 Favored 'Trans proline' 0 N--CA 1.507 2.276 0 CA-C-N 122.467 1.917 . . . . 0.0 112.769 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -60.65 150.6 74.78 Favored Pre-proline 0 CA--C 1.55 0.975 0 CA-C-O 118.512 -0.756 . . . . 0.0 109.761 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -72.21 -173.27 1.06 Allowed 'Trans proline' 0 N--CA 1.499 1.842 0 CA-C-N 121.442 1.551 . . . . 0.0 111.065 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -146.12 70.16 13.16 Favored Pre-proline 0 CA--C 1.546 0.813 0 O-C-N 123.711 0.632 . . . . 0.0 110.518 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -76.86 -7.71 17.58 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 121.571 1.514 . . . . 0.0 112.076 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.38 -40.87 97.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.835 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 50.03 73.34 1.01 Allowed Pre-proline 0 CA--C 1.547 0.85 0 O-C-N 124.026 0.829 . . . . 0.0 110.76 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_exo -58.37 144.3 96.49 Favored 'Trans proline' 0 N--CA 1.5 1.86 0 C-N-CA 121.325 1.35 . . . . 0.0 112.128 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -60.59 -32.37 71.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.278 -179.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.5 -35.33 88.73 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.18 142.76 1.25 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -80.11 -50.43 10.33 Favored 'General case' 0 C--O 1.223 -0.3 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.43 -51.18 69.79 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -178.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.9 mt -99.69 110.37 26.71 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.45 0 O-C-N 123.998 0.811 . . . . 0.0 109.643 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.3 t -73.24 143.38 47.12 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 177.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.46 -14.63 61.39 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -177.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.8 mt -114.49 -71.08 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 O-C-N 124.67 1.231 . . . . 0.0 111.923 -176.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -80.52 -19.74 45.11 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 -175.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.77 -10.11 20.18 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-O 118.57 -1.128 . . . . 0.0 113.317 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -155.16 15.88 0.41 Allowed 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 -177.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.637 HD22 ' H ' ' A' ' 33' ' ' THR . 2.1 m-20 -83.28 -39.41 20.87 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.873 -0.517 . . . . 0.0 109.771 176.281 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.26 -29.58 63.94 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.117 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -65.26 -35.4 80.92 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.365 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -128.28 -113.02 0.27 Allowed 'General case' 0 CA--C 1.552 1.055 0 O-C-N 124.279 0.987 . . . . 0.0 112.012 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -88.92 167.94 12.8 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 123.224 0.61 . . . . 0.0 111.349 -178.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -122.9 66.12 0.97 Allowed 'General case' 0 C--N 1.349 0.568 0 O-C-N 124.368 1.043 . . . . 0.0 110.48 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -102.95 -36.49 8.18 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 124.544 1.152 . . . . 0.0 111.54 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.637 ' H ' HD22 ' A' ' 26' ' ' ASN . 4.9 p -84.43 -6.25 59.36 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 123.781 0.675 . . . . 0.0 110.334 -179.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.24 -32.02 72.66 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.978 0.418 . . . . 0.0 110.464 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.4 mmm -64.03 -41.31 97.46 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.619 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -82.2 113.28 19.92 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 123.653 0.596 . . . . 0.0 111.273 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.7 mt -85.83 130.65 34.49 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.238 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.1 t -156.46 155.22 31.68 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.624 0.577 . . . . 0.0 110.5 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -158.78 118.14 3.08 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.568 0.543 . . . . 0.0 110.212 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.1 t -157.54 153.08 26.38 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.434 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -80.94 120.41 24.71 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.607 0.567 . . . . 0.0 109.693 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -72.41 137.53 46.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.794 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -71.2 141.39 50.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.882 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -62.23 -43.38 98.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.237 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -67.13 134.94 52.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.709 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -151.6 149.85 29.63 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 124.004 0.815 . . . . 0.0 110.139 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 91.9 m -64.27 -39.27 93.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.396 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -131.96 141.52 49.33 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 124.244 0.965 . . . . 0.0 110.227 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.6 p -163.96 155.33 16.26 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.232 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -140.12 142.22 36.05 Favored 'General case' 0 C--N 1.343 0.284 0 O-C-N 124.184 0.927 . . . . 0.0 108.922 179.133 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -100.13 -1.77 35.83 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 124.195 0.934 . . . . 0.0 109.892 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.36 -40.48 96.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.553 -178.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 47.4 m -108.68 172.5 6.81 Favored 'General case' 0 C--N 1.345 0.403 0 O-C-N 124.193 0.933 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.7 p -55.04 -21.51 12.58 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.612 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 t0 73.38 -7.61 1.5 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.218 1.007 . . . . 0.0 111.28 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.0 mt -66.27 -44.6 83.15 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 t -90.8 133.47 35.18 Favored 'General case' 0 C--N 1.347 0.462 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 178.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -76.19 -39.14 55.48 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -176.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -79.28 -20.06 48.99 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -177.183 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.6 m -68.86 -27.32 65.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.384 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -50.58 -37.81 41.97 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.977 0.798 . . . . 0.0 111.91 -177.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -91.3 -53.5 4.32 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.994 0.809 . . . . 0.0 111.506 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -142.44 116.11 9.18 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 124.233 0.958 . . . . 0.0 110.155 -178.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -46.89 144.93 2.21 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 124.321 1.013 . . . . 0.0 112.594 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.03 22.15 9.62 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 124.718 1.261 . . . . 0.0 110.433 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.79 8.03 0.1 Allowed 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.12 -38.22 90.28 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 121.308 -0.87 . . . . 0.0 110.399 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.82 -71.03 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 O-C-N 123.457 0.473 . . . . 0.0 111.542 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -74.94 123.05 24.42 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.048 0.452 . . . . 0.0 111.011 178.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -68.7 -42.32 77.91 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.043 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 59.51 100.19 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 121.869 0.842 . . . . 0.0 110.43 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -72.8 138.89 46.69 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.394 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -71.07 136.42 48.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.501 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -65.4 -43.7 89.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.475 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.66 -176.11 29.08 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.87 -172.84 42.74 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.7 p -73.81 166.71 22.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.812 0.339 . . . . 0.0 110.476 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 33.0 mmm -63.25 -40.61 97.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.319 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.57 134.68 22.7 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 50.1 mtt -64.69 -40.04 94.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.372 . . . . 0.0 110.3 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.3 p -61.9 -39.17 91.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.005 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.3 19.65 78.07 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.9 t -62.06 -43.45 98.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.829 0.347 . . . . 0.0 110.584 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -173.46 -176.62 42.08 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -155.93 158.95 38.81 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.821 0.343 . . . . 0.0 111.172 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -69.7 151.7 50.82 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.087 -0.959 . . . . 0.0 110.508 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.0 mtp . . . . . 0 N--CA 1.493 1.687 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -62.83 -39.6 98.2 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 50.05 69.59 2.55 Favored Pre-proline 0 CA--C 1.544 0.735 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -58.91 144.43 98.93 Favored 'Trans proline' 0 N--CA 1.499 1.819 0 C-N-CA 121.188 1.259 . . . . 0.0 111.861 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -137.29 72.12 52.64 Favored Pre-proline 0 CA--C 1.56 1.35 0 O-C-N 124.187 0.929 . . . . 0.0 109.678 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -56.41 -41.66 73.86 Favored 'Trans proline' 0 N--CA 1.502 1.981 0 C-N-CA 121.72 1.613 . . . . 0.0 112.68 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -164.26 87.25 1.14 Allowed Pre-proline 0 CA--C 1.553 1.065 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.813 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -84.32 -175.39 2.15 Favored 'Trans proline' 0 N--CA 1.497 1.69 0 C-N-CA 122.052 1.834 . . . . 0.0 111.393 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -150.63 73.7 8.85 Favored Pre-proline 0 CA--C 1.545 0.781 0 O-C-N 123.74 0.65 . . . . 0.0 110.157 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -57.08 -28.97 81.32 Favored 'Trans proline' 0 N--CA 1.503 2.077 0 C-N-CA 122.038 1.825 . . . . 0.0 111.83 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.67 -38.59 88.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.427 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 51.41 70.8 1.76 Allowed Pre-proline 0 CA--C 1.547 0.838 0 O-C-N 124.014 0.821 . . . . 0.0 111.219 -179.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -58.35 143.33 97.64 Favored 'Trans proline' 0 N--CA 1.497 1.735 0 C-N-CA 121.392 1.395 . . . . 0.0 112.188 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.04 -39.53 93.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.195 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.74 -177.2 48.04 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -168.63 164.51 38.1 Favored Glycine 0 N--CA 1.461 0.335 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -65.58 -50.64 64.36 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -48.22 -25.06 1.36 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -178.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.7 mt -107.13 112.53 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 124.158 0.911 . . . . 0.0 109.167 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.6 t -72.6 151.87 42.1 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.79 -14.41 59.59 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 122.41 -0.181 . . . . 0.0 111.262 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.0 mt -114.71 -78.23 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 O-C-N 124.852 1.345 . . . . 0.0 110.213 -178.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.39 -10.16 15.63 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -176.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.46 -18.69 5.35 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-O 118.247 -1.307 . . . . 0.0 112.841 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -165.78 18.92 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.463 ' N ' HD21 ' A' ' 26' ' ' ASN . 1.4 m-80 -93.93 3.3 55.57 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-N 119.282 0.946 . . . . 0.0 112.016 177.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.94 64.72 2.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.924 0.869 . . . . 0.0 109.584 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -174.86 -16.94 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.111 -0.949 . . . . 0.0 111.037 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -132.6 -143.94 0.23 Allowed 'General case' 0 N--CA 1.478 0.953 0 O-C-N 124.177 0.923 . . . . 0.0 110.932 -178.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -65.16 138.08 58.04 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -96.92 45.15 1.05 Allowed 'General case' 0 CA--C 1.532 0.268 0 O-C-N 124.479 1.112 . . . . 0.0 109.902 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -83.04 -33.55 26.45 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.295 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.5 p -78.9 -15.3 58.51 Favored 'General case' 0 CA--C 1.517 -0.309 0 O-C-N 123.52 0.513 . . . . 0.0 110.323 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -64.52 -40.0 94.81 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.343 -0.543 . . . . 0.0 109.858 -179.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 47.1 mtp -66.98 -41.41 86.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.653 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -74.91 136.47 41.43 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.272 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.5 mt -79.69 144.05 34.04 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.425 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.6 p -77.61 163.97 25.76 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.215 0.322 . . . . 0.0 110.418 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -81.46 142.03 33.32 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.675 0.609 . . . . 0.0 110.968 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.7 p -66.45 -34.13 77.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.129 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -72.81 156.63 38.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.618 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -64.95 133.55 52.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.06 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -72.96 143.28 47.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -76.1 140.36 41.8 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.477 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -70.38 136.74 49.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.901 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -73.48 130.09 39.37 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.002 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 94.8 m -66.92 -39.23 87.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.759 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -66.67 139.49 57.86 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.3 p -163.91 160.86 22.55 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -140.97 145.0 35.42 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 124.273 0.983 . . . . 0.0 110.134 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -73.12 -6.92 48.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.862 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -57.51 -72.07 0.09 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.478 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 13.8 t -96.76 -125.93 0.14 Allowed 'General case' 0 N--CA 1.475 0.811 0 O-C-N 123.994 0.809 . . . . 0.0 110.63 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 92.6 p -126.1 -123.8 0.24 Allowed 'General case' 0 C--N 1.35 0.628 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -146.64 -9.88 0.47 Allowed 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.364 0.415 . . . . 0.0 111.242 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.3 mt -64.6 -54.39 32.81 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.3 t -94.44 110.56 22.33 Favored 'General case' 0 C--N 1.342 0.277 0 O-C-N 123.903 0.752 . . . . 0.0 109.295 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -69.99 -32.01 69.99 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -75.05 -25.95 59.04 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -177.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.2 m -60.47 -28.12 68.08 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.65 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -59.2 -40.45 85.81 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.702 -178.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -84.6 -53.07 5.65 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 123.672 0.608 . . . . 0.0 111.544 -179.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -136.72 115.75 12.39 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 124.511 1.132 . . . . 0.0 109.548 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -54.83 134.63 48.11 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.83 0.706 . . . . 0.0 111.392 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.72 10.8 10.37 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 124.88 1.362 . . . . 0.0 110.509 179.195 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.2 mt -56.63 -2.22 0.07 Allowed 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -177.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.25 -41.64 94.1 Favored 'General case' 0 C--O 1.232 0.158 0 O-C-N 121.402 -0.812 . . . . 0.0 111.371 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -58.38 -57.77 9.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -178.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -56.28 -41.93 76.66 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 117.923 0.329 . . . . 0.0 111.232 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 54.5 m80 -72.22 141.54 49.0 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.83 0.348 . . . . 0.0 110.511 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -68.05 140.62 56.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.45 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -65.85 -36.73 84.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.732 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -60.12 -46.44 89.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.062 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -67.03 -41.21 86.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.834 0.35 . . . . 0.0 110.483 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.31 -170.73 47.49 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.67 -37.28 94.49 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 36.5 p -160.6 162.51 32.83 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.831 0.348 . . . . 0.0 110.538 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 45.0 mtp -64.54 -39.92 94.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.87 -178.09 49.05 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 34.3 mmm -64.36 -40.57 96.12 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.5 -0.185 . . . . 0.0 110.5 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.9 p -160.55 162.75 33.03 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.563 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.91 157.46 53.5 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.7 p -73.58 162.21 29.48 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.784 0.326 . . . . 0.0 110.657 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.63 155.8 53.35 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.8 p -75.9 164.64 25.99 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.801 0.334 . . . . 0.0 110.426 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.69 -40.11 98.21 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.592 179.882 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.7 mmm . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.94 171.43 48.04 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -163.97 70.94 1.72 Allowed Pre-proline 0 CA--C 1.545 0.783 0 CA-C-O 119.428 -0.32 . . . . 0.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -60.28 145.61 98.23 Favored 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 121.16 1.24 . . . . 0.0 111.832 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -79.87 153.37 75.23 Favored Pre-proline 0 CA--C 1.552 1.054 0 CA-C-O 117.744 -1.122 . . . . 0.0 110.499 -179.052 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -51.41 -38.73 63.84 Favored 'Trans proline' 0 N--CA 1.508 2.362 0 C-N-CA 121.939 1.76 . . . . 0.0 112.509 178.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -70.83 149.74 95.12 Favored Pre-proline 0 CA--C 1.555 1.135 0 CA-C-O 118.481 -0.771 . . . . 0.0 109.758 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.13 -174.59 1.42 Allowed 'Trans proline' 0 N--CA 1.502 1.984 0 CA-C-N 121.554 1.591 . . . . 0.0 111.597 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -149.79 73.32 9.6 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 123.136 0.574 . . . . 0.0 110.463 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -79.45 1.14 9.45 Favored 'Trans proline' 0 N--CA 1.494 1.532 0 C-N-CA 122.191 1.927 . . . . 0.0 111.961 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 81.4 mt -72.11 -43.1 65.27 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.115 179.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -58.07 -59.4 13.4 Favored Pre-proline 0 CA--C 1.543 0.687 0 CA-C-O 118.325 -0.845 . . . . 0.0 112.056 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.38 142.33 97.64 Favored 'Trans proline' 0 N--CA 1.497 1.715 0 CA-C-N 121.168 1.453 . . . . 0.0 112.527 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -61.78 -44.74 96.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.797 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.99 -166.85 54.41 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.04 158.67 53.12 Favored Glycine 0 N--CA 1.46 0.252 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -65.59 -50.39 65.29 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.15 -24.55 0.46 Allowed 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -179.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.9 mt -106.65 113.79 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 O-C-N 124.28 0.988 . . . . 0.0 109.675 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.0 t -73.0 153.07 41.07 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 177.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.4 -15.83 58.26 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.828 -0.169 . . . . 0.0 111.101 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.1 mt -114.45 -79.03 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 124.752 1.282 . . . . 0.0 109.694 -178.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.07 -8.41 5.35 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -177.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.65 -19.62 3.95 Favored Glycine 0 CA--C 1.524 0.638 0 CA-C-O 118.541 -1.144 . . . . 0.0 113.161 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -166.53 17.15 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 115.389 1.625 . . . . 0.0 115.389 -178.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.473 ' N ' HD21 ' A' ' 26' ' ' ASN . 1.1 m-80 -94.1 11.31 30.37 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 118.947 0.794 . . . . 0.0 111.285 177.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.87 63.51 6.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.231 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -178.18 -12.26 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.09 178.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -134.56 -153.58 0.53 Allowed 'General case' 0 N--CA 1.477 0.917 0 O-C-N 123.813 0.696 . . . . 0.0 111.519 -178.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -56.99 123.07 13.89 Favored 'General case' 0 C--N 1.342 0.251 0 C-N-CA 122.445 0.298 . . . . 0.0 111.306 -178.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -83.88 46.71 1.21 Allowed 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.69 0.619 . . . . 0.0 110.454 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -85.56 -32.76 21.96 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.35 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.9 p -79.27 -14.59 58.93 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.292 -179.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -64.9 -36.86 85.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.337 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 44.6 mtp -65.48 -41.91 92.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.785 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -167.24 150.92 6.53 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.737 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.9 mt -86.25 17.72 3.54 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 123.73 0.644 . . . . 0.0 110.21 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.0 p -68.27 -42.59 79.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.596 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -82.52 135.06 35.19 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.779 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.0 p -119.29 132.43 55.9 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 124.416 1.073 . . . . 0.0 109.725 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -85.09 109.24 18.1 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.837 0.71 . . . . 0.0 110.653 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -78.55 134.71 37.22 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.617 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -76.26 141.74 41.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.87 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -76.6 108.6 9.71 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.347 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -79.61 -0.69 34.78 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.575 0.547 . . . . 0.0 109.879 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -61.99 -43.58 98.54 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.128 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -165.42 141.72 5.43 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.293 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -125.52 119.07 27.19 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 124.452 1.095 . . . . 0.0 110.256 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.3 m -62.0 -41.31 97.92 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.658 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -148.08 156.47 42.65 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 124.232 0.958 . . . . 0.0 109.454 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -87.25 78.93 8.7 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 124.013 0.821 . . . . 0.0 110.47 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 50.49 99.03 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 O-C-N 124.282 0.989 . . . . 0.0 110.899 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 18.3 m -84.11 -78.37 0.24 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.745 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.1 m -57.96 -41.01 81.97 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.496 -178.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 71.31 49.41 0.32 Allowed 'General case' 0 N--CA 1.468 0.471 0 O-C-N 125.104 1.503 . . . . 0.0 112.151 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 pp -165.24 -39.79 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.671 178.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 11.3 t -94.64 133.75 37.95 Favored 'General case' 0 C--N 1.346 0.418 0 O-C-N 124.462 1.101 . . . . 0.0 108.701 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -79.49 -43.85 22.39 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -177.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -74.8 -22.89 58.49 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -177.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.6 m -61.49 -20.54 63.3 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.924 0.393 . . . . 0.0 110.812 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -59.19 -41.86 89.51 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -178.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -92.5 -49.14 6.28 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.985 0.803 . . . . 0.0 111.693 -178.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -138.36 120.59 15.79 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 124.59 1.181 . . . . 0.0 109.721 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -56.91 138.97 53.09 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 124.026 0.829 . . . . 0.0 110.711 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.44 12.14 11.56 Favored 'General case' 0 C--O 1.212 -0.913 0 O-C-N 125.062 1.476 . . . . 0.0 110.645 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.0 mp -55.53 -3.84 0.08 Allowed 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 -177.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.6 -41.32 98.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.474 -0.766 . . . . 0.0 111.012 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.91 -55.31 24.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.594 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -56.73 -41.64 77.85 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 117.992 0.36 . . . . 0.0 110.902 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -72.16 141.22 49.09 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.633 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -70.7 153.34 42.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.394 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -66.73 -38.27 86.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.678 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -60.59 -45.66 93.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -66.21 -40.38 90.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.603 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.74 -34.57 90.07 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.51 149.45 48.46 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 78.0 p -64.63 -26.27 68.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.806 0.336 . . . . 0.0 110.418 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 47.7 mtp -64.27 -41.36 96.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.334 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.97 -39.25 96.33 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 54.0 mtp -75.06 140.73 43.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.825 0.345 . . . . 0.0 110.377 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.7 p -62.4 -39.59 93.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.759 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.87 -131.99 46.26 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.5 t -66.85 144.71 56.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.748 0.309 . . . . 0.0 110.594 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.29 153.46 51.86 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.8 p -66.65 -32.83 74.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.858 0.361 . . . . 0.0 110.475 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.46 -36.84 93.72 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 . . . . . 0 N--CA 1.469 0.486 0 CA-C-O 118.161 -0.923 . . . . 0.0 110.436 -179.508 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.7 mtp . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.03 162.53 54.11 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -163.6 71.94 1.83 Allowed Pre-proline 0 CA--C 1.544 0.735 0 CA-C-O 119.501 -0.285 . . . . 0.0 110.785 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -60.42 145.98 97.63 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 121.15 1.233 . . . . 0.0 111.773 179.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -137.52 72.31 50.77 Favored Pre-proline 0 CA--C 1.56 1.365 0 O-C-N 124.072 0.858 . . . . 0.0 109.807 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -56.08 -40.19 86.45 Favored 'Trans proline' 0 N--CA 1.504 2.119 0 C-N-CA 121.732 1.621 . . . . 0.0 112.398 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -63.9 153.96 82.8 Favored Pre-proline 0 CA--C 1.545 0.782 0 CA-C-O 118.345 -0.836 . . . . 0.0 109.262 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -75.33 6.75 3.34 Favored 'Trans proline' 0 N--CA 1.5 1.894 0 CA-C-N 121.396 1.534 . . . . 0.0 112.703 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.3 t70 53.17 67.73 3.54 Favored Pre-proline 0 CA--C 1.547 0.834 0 O-C-N 123.845 0.716 . . . . 0.0 111.295 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -76.06 -12.98 19.43 Favored 'Trans proline' 0 N--CA 1.496 1.656 0 C-N-CA 121.654 1.569 . . . . 0.0 112.57 -178.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.55 -41.18 98.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.483 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 49.59 69.99 2.34 Favored Pre-proline 0 CA--C 1.549 0.92 0 O-C-N 123.964 0.79 . . . . 0.0 111.036 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -55.11 -36.71 93.61 Favored 'Trans proline' 0 N--CA 1.504 2.138 0 C-N-CA 121.834 1.689 . . . . 0.0 112.558 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.76 -38.45 91.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.256 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.99 -41.34 99.92 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.22 99.17 0.02 OUTLIER Glycine 0 N--CA 1.462 0.385 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.23 -53.36 50.43 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -49.65 -25.5 2.91 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -178.057 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.5 mt -107.96 114.51 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 O-C-N 124.32 1.012 . . . . 0.0 109.532 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.1 t -73.49 151.3 41.09 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.81 -14.54 59.55 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 111.244 0.09 . . . . 0.0 111.244 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.3 mt -114.95 -78.53 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 O-C-N 124.72 1.262 . . . . 0.0 110.099 -178.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.15 -9.32 10.47 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.73 -19.29 5.14 Favored Glycine 0 CA--C 1.527 0.801 0 CA-C-O 118.205 -1.331 . . . . 0.0 113.063 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -165.98 18.27 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 115.61 1.708 . . . . 0.0 115.61 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -94.54 9.41 38.69 Favored 'General case' 0 N--CA 1.503 2.201 0 CA-C-N 119.489 1.04 . . . . 0.0 112.084 178.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.26 66.18 9.42 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.39 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -140.29 -41.01 0.42 Allowed 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 114.673 -1.149 . . . . 0.0 109.751 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -158.62 -68.78 0.09 Allowed 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -79.41 140.46 37.41 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -178.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -125.0 42.99 3.15 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 124.702 1.251 . . . . 0.0 109.607 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -80.48 -36.12 33.86 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.698 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.6 p -79.67 -12.61 59.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.948 -178.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -65.43 -35.9 82.32 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.282 -179.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 47.9 mtm -67.12 -41.97 85.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.539 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -164.77 137.96 4.82 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.6 mt -73.05 147.07 45.38 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 m -78.23 125.49 29.43 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.557 0.536 . . . . 0.0 110.262 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -63.1 -48.83 76.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 m -73.66 131.51 41.73 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.183 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -144.29 17.64 1.71 Allowed 'General case' 0 N--CA 1.474 0.74 0 O-C-N 123.919 0.762 . . . . 0.0 109.974 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -69.53 -40.29 77.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.972 179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -71.0 149.12 46.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.523 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -70.58 143.58 51.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.776 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.71 -41.61 99.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.351 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -156.95 105.88 2.2 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.587 0.555 . . . . 0.0 110.471 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 94.0 m -65.72 -40.49 92.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.676 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -70.13 150.11 46.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.189 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.7 p -160.77 162.1 32.31 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.546 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -154.74 -39.32 0.09 Allowed 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.85 0.719 . . . . 0.0 109.935 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -148.1 90.32 1.81 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 124.092 0.87 . . . . 0.0 110.309 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -77.68 62.36 2.56 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.761 0.791 . . . . 0.0 109.792 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 6.3 m -69.82 -68.63 0.4 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.833 -179.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.0 m -99.94 81.36 2.42 Favored 'General case' 0 CA--C 1.512 -0.509 0 O-C-N 124.253 0.971 . . . . 0.0 110.718 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -53.51 -26.46 20.93 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.3 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.1 mt -63.45 -44.9 93.17 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 9.8 t -92.54 115.99 28.6 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 124.061 0.85 . . . . 0.0 109.362 178.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -66.8 -37.24 84.15 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -177.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -73.7 -27.46 61.22 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -178.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.5 m -62.38 -17.27 58.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.728 0.299 . . . . 0.0 111.248 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -61.31 -42.29 98.42 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -178.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -112.23 -42.83 3.64 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.184 0.927 . . . . 0.0 112.433 -178.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -115.78 108.09 15.89 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 124.308 1.005 . . . . 0.0 110.282 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -64.37 131.93 48.64 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.544 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.27 10.33 14.78 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 125.208 1.567 . . . . 0.0 110.715 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.3 mt -54.71 -2.45 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -177.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.95 -46.31 85.26 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.413 -0.804 . . . . 0.0 110.705 179.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.2 pt -61.33 -85.2 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.601 -178.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -68.78 129.78 40.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.754 0.312 . . . . 0.0 110.946 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -73.19 137.66 45.2 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.653 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -73.25 138.69 45.69 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.987 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -72.61 136.46 45.74 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.498 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -73.01 133.59 44.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.78 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -66.43 -40.34 89.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.367 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.44 -36.8 93.86 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.0 164.85 46.3 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.2 p -159.58 162.85 35.4 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.893 0.378 . . . . 0.0 110.552 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 47.1 mtp -64.53 -40.66 96.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.333 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 76.54 -0.39 64.87 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 34.0 mmm -65.32 -39.55 92.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 0.0 110.42 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.3 t -64.36 144.42 57.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.761 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -63.48 -37.06 94.21 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 97.6 p -76.37 -2.83 33.74 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.66 0.267 . . . . 0.0 110.81 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.28 -33.01 82.86 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.6 t -65.37 144.28 57.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.881 0.372 . . . . 0.0 110.885 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 70.47 -163.18 53.2 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.614 179.93 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.9 mtp . . . . . 0 N--CA 1.493 1.7 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.43 171.85 43.8 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.06 71.8 1.7 Allowed Pre-proline 0 CA--C 1.545 0.751 0 CA-C-O 119.509 -0.281 . . . . 0.0 110.612 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -59.9 145.64 97.79 Favored 'Trans proline' 0 N--CA 1.498 1.794 0 C-N-CA 121.334 1.356 . . . . 0.0 111.972 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.1 m -137.04 72.7 53.46 Favored Pre-proline 0 CA--C 1.559 1.318 0 O-C-N 124.284 0.99 . . . . 0.0 109.764 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -55.76 -41.32 78.68 Favored 'Trans proline' 0 N--CA 1.503 2.042 0 C-N-CA 121.775 1.65 . . . . 0.0 112.465 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -82.16 176.66 3.61 Favored Pre-proline 0 N--CA 1.471 0.579 0 O-C-N 123.96 0.788 . . . . 0.0 109.039 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.35 -164.32 0.03 OUTLIER 'Trans proline' 0 N--CA 1.504 2.1 0 CA-C-N 121.33 1.511 . . . . 0.0 113.526 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -151.04 76.51 7.89 Favored Pre-proline 0 CA--C 1.548 0.886 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.705 -179.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -81.49 -8.4 12.61 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 122.017 1.812 . . . . 0.0 111.712 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.8 mt -64.93 -41.23 95.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.562 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -58.85 -64.51 2.84 Favored Pre-proline 0 CA--C 1.547 0.856 0 CA-C-O 118.171 -0.918 . . . . 0.0 112.755 -178.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -58.4 144.74 96.05 Favored 'Trans proline' 0 N--CA 1.502 1.975 0 CA-C-N 121.784 1.673 . . . . 0.0 112.9 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -70.05 145.53 51.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.518 -178.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.97 152.9 52.67 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.83 161.2 52.97 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -74.67 -51.56 14.04 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -60.55 -49.27 78.23 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.36 -178.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.5 mp -104.06 124.77 58.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.661 0 O-C-N 124.038 0.836 . . . . 0.0 110.021 -178.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.7 t -78.87 147.79 33.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.668 -1.151 . . . . 0.0 108.718 178.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.93 -11.01 60.42 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.6 mt -118.0 -76.02 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 O-C-N 124.525 1.141 . . . . 0.0 111.579 -177.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -67.86 -29.86 69.09 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.699 -176.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.64 -19.52 44.17 Favored Glycine 0 CA--C 1.523 0.539 0 O-C-N 124.508 1.13 . . . . 0.0 111.924 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -145.51 16.88 1.48 Allowed 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 116.337 1.977 . . . . 0.0 116.337 -175.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -91.21 -33.17 15.5 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 119.293 0.951 . . . . 0.0 112.615 178.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.31 -30.38 50.88 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 123.418 0.449 . . . . 0.0 110.485 -177.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -70.74 -36.78 73.31 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.346 178.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -117.13 -134.83 0.34 Allowed 'General case' 0 N--CA 1.484 1.235 0 O-C-N 124.357 1.035 . . . . 0.0 111.461 -178.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -72.95 176.78 5.4 Favored 'General case' 0 C--N 1.348 0.5 0 CA-C-O 119.146 -0.454 . . . . 0.0 110.324 -179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -127.28 42.13 3.38 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 124.185 0.928 . . . . 0.0 110.552 -178.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -84.12 -34.34 24.12 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.255 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.1 p -81.67 -4.24 55.69 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.405 0.441 . . . . 0.0 110.84 -178.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -67.23 -11.3 57.06 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.715 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 39.2 mmm -69.84 156.03 39.66 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -73.62 88.25 1.68 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.126 0.488 . . . . 0.0 110.59 -179.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.2 mt -75.66 142.28 42.58 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.863 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.6 p -64.98 -44.91 87.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -81.12 133.17 35.42 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.521 0.513 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.7 p -65.56 -50.6 64.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.519 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -89.85 109.53 20.53 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 124.151 0.907 . . . . 0.0 110.535 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.1 ttt-85 -64.78 -45.27 87.06 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -158.75 170.35 22.34 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.609 0.568 . . . . 0.0 110.592 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -72.6 131.45 42.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.536 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -70.84 135.85 48.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.139 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -72.81 153.21 41.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.764 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.0 m -69.37 165.87 19.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.738 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -64.11 91.69 0.07 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.364 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.3 m -62.54 -40.63 97.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.748 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -149.06 153.41 37.79 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.981 0.801 . . . . 0.0 110.499 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -94.75 -2.23 51.42 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 124.345 1.028 . . . . 0.0 109.939 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -61.35 -36.46 80.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.144 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.1 t -99.88 150.5 22.32 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 124.122 0.889 . . . . 0.0 110.32 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.9 m -63.91 1.5 0.65 Allowed 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 t70 72.6 -9.36 1.08 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.457 1.103 . . . . 0.0 112.659 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.79 -51.41 59.26 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 5.1 t -93.24 130.59 38.9 Favored 'General case' 0 C--N 1.343 0.309 0 O-C-N 124.095 0.872 . . . . 0.0 109.041 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -76.7 -37.08 56.73 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -177.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -76.59 -23.5 53.47 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -177.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.6 m -67.14 -19.48 65.61 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.908 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -59.19 -36.98 76.29 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.296 -178.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -94.86 -50.37 5.16 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 124.027 0.829 . . . . 0.0 111.755 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -140.72 112.6 7.65 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 124.127 0.892 . . . . 0.0 111.107 -178.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -48.59 142.8 5.61 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 123.977 0.798 . . . . 0.0 112.654 -179.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -124.44 20.65 8.74 Favored 'General case' 0 N--CA 1.477 0.882 0 O-C-N 124.92 1.388 . . . . 0.0 110.465 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.1 mt -64.77 5.79 0.28 Allowed 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -178.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.03 -41.31 97.46 Favored 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 121.453 -0.78 . . . . 0.0 110.562 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 pt -70.38 -69.79 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 O-C-N 123.608 0.568 . . . . 0.0 111.704 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -72.09 116.99 13.16 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.123 0.42 . . . . 0.0 110.635 178.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -80.07 135.61 36.38 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.617 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -72.78 129.93 39.32 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.142 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -73.32 141.7 47.12 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.644 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -65.82 -40.46 91.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.463 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -65.93 -40.95 91.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.512 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.82 -132.39 43.62 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.21 151.24 51.7 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.084 -0.807 . . . . 0.0 111.084 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.4 t -66.8 145.0 55.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 0.0 110.562 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 46.0 mtp -64.02 -40.69 96.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -174.65 175.23 46.88 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 53.1 mtt -64.42 -40.15 95.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.701 0.286 . . . . 0.0 110.317 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.4 p -73.12 163.78 27.65 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.698 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -168.46 169.54 41.66 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.859 -0.897 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.8 m -160.52 159.48 30.77 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.891 0.377 . . . . 0.0 110.492 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.81 -35.78 92.46 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.8 p -74.33 164.72 26.26 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.752 0.31 . . . . 0.0 110.41 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.36 -174.92 46.88 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.522 -179.888 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.1 mmm . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.77 22.58 78.96 Favored Glycine 0 C--N 1.33 0.249 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -157.03 169.07 11.23 Favored Pre-proline 0 CA--C 1.545 0.785 0 CA-C-O 119.081 -0.485 . . . . 0.0 110.823 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -59.71 146.47 95.37 Favored 'Trans proline' 0 N--CA 1.498 1.788 0 C-N-CA 121.328 1.352 . . . . 0.0 112.036 179.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.31 155.3 70.25 Favored Pre-proline 0 CA--C 1.55 0.945 0 O-C-N 124.565 1.166 . . . . 0.0 109.859 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -50.91 -38.09 57.38 Favored 'Trans proline' 0 N--CA 1.503 2.084 0 C-N-CA 122.196 1.931 . . . . 0.0 112.65 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -60.86 117.14 22.6 Favored Pre-proline 0 CA--C 1.557 1.235 0 CA-C-O 117.785 -1.103 . . . . 0.0 109.842 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -78.44 8.1 3.8 Favored 'Trans proline' 0 N--CA 1.5 1.905 0 CA-C-N 122.242 1.836 . . . . 0.0 112.79 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -147.33 73.33 11.88 Favored Pre-proline 0 N--CA 1.475 0.793 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.782 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -56.62 -33.24 92.8 Favored 'Trans proline' 0 N--CA 1.502 1.999 0 C-N-CA 122.011 1.807 . . . . 0.0 112.267 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.7 mt -72.18 -37.57 69.29 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 118.571 -0.728 . . . . 0.0 110.89 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 26.62 68.73 0.47 Allowed Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 125.601 1.813 . . . . 0.0 112.161 -179.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -57.61 144.57 92.29 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 120.905 1.07 . . . . 0.0 112.463 -178.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.73 -39.04 93.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.963 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.85 -134.32 37.61 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.69 143.35 36.62 Favored Glycine 0 C--N 1.331 0.294 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -69.96 -50.66 39.65 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -50.11 -30.8 11.81 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 114.117 1.155 . . . . 0.0 114.117 -177.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.4 mt -110.0 118.36 56.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 124.666 1.229 . . . . 0.0 109.775 -179.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.2 t -74.22 149.2 40.97 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 178.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.94 -14.72 59.83 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 111.282 0.105 . . . . 0.0 111.282 -178.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.9 mt -113.75 -77.47 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 124.935 1.397 . . . . 0.0 110.586 -178.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -65.41 -8.92 21.14 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -176.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.26 -19.54 5.53 Favored Glycine 0 CA--C 1.522 0.524 0 CA-C-O 118.192 -1.338 . . . . 0.0 113.348 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 45.9 p-10 -164.43 19.03 0.06 Allowed 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 119.75 1.775 . . . . 0.0 115.205 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -91.08 -4.1 56.59 Favored 'General case' 0 N--CA 1.502 2.139 0 CA-C-N 119.607 1.094 . . . . 0.0 112.026 178.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.89 60.0 3.96 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -153.5 -31.91 0.12 Allowed 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.911 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -136.4 -94.13 0.24 Allowed 'General case' 0 N--CA 1.472 0.655 0 O-C-N 124.226 0.954 . . . . 0.0 112.489 -178.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -88.18 166.67 14.21 Favored 'General case' 0 CA--C 1.513 -0.448 0 O-C-N 123.591 0.557 . . . . 0.0 110.479 -178.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -133.82 40.66 3.08 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 124.79 1.306 . . . . 0.0 109.049 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -80.83 -36.42 31.58 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.822 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.0 p -79.43 -10.58 59.83 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 123.622 0.576 . . . . 0.0 111.004 -178.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.38 -33.71 76.48 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.304 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 31.0 mmm -64.77 -41.57 95.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.549 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -157.73 151.49 24.02 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 123.629 0.58 . . . . 0.0 110.773 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 72.9 mt -72.82 146.05 46.56 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.3 p -137.5 169.22 18.16 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 124.629 1.205 . . . . 0.0 110.256 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -71.53 133.11 45.58 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.229 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 54.2 m -76.42 131.95 39.39 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 123.579 0.549 . . . . 0.0 110.336 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -84.3 96.23 8.96 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.79 0.681 . . . . 0.0 110.543 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -72.79 144.1 47.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.884 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -72.86 107.64 5.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.294 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -60.8 -47.36 86.71 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.911 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -130.37 140.85 50.59 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 124.602 1.188 . . . . 0.0 110.013 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -80.6 97.18 7.09 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.953 0.783 . . . . 0.0 110.38 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.3 m -70.29 -53.25 17.62 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.835 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -131.98 165.53 23.72 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 124.421 1.076 . . . . 0.0 110.251 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.2 t -161.28 85.24 0.66 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.452 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -63.3 -48.15 79.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.343 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.28 -20.53 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.072 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 48.56 70.51 0.45 Allowed 'General case' 0 C--N 1.349 0.558 0 O-C-N 124.181 0.926 . . . . 0.0 110.162 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 95.8 m -71.69 -55.72 7.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.973 -178.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.7 p -114.05 79.89 1.31 Allowed 'General case' 0 CA--C 1.512 -0.509 0 O-C-N 124.673 1.233 . . . . 0.0 110.429 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -55.0 -17.88 4.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.819 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 45.1 mt -63.59 -43.71 96.16 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 178.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.2 t -93.84 117.63 30.36 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 124.058 0.849 . . . . 0.0 108.89 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -64.91 -37.32 87.26 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -176.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.29 -26.94 52.82 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -178.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.19 -25.08 63.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.931 0.396 . . . . 0.0 111.297 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -61.41 -34.6 75.63 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.354 -178.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -97.34 -50.17 4.65 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 124.022 0.826 . . . . 0.0 111.978 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -136.14 117.81 14.98 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 124.285 0.99 . . . . 0.0 110.531 -178.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt -57.96 137.31 56.88 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.718 0.636 . . . . 0.0 111.112 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.79 16.43 9.44 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 125.285 1.615 . . . . 0.0 110.827 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.4 mt -58.21 0.24 0.07 Allowed 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -177.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.76 -43.99 74.65 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.404 -0.81 . . . . 0.0 110.879 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.3 pt -64.14 -42.72 96.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 120.643 -0.423 . . . . 0.0 112.082 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -57.45 -46.67 83.34 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 117.588 0.176 . . . . 0.0 110.74 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 74.8 m80 -75.43 132.93 41.18 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.287 0.367 . . . . 0.0 110.436 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -74.0 127.2 32.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.422 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.0 m80 -74.24 132.74 42.42 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.586 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -66.46 -42.07 88.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.773 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -65.16 -40.14 93.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.362 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.79 149.81 49.85 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.94 169.76 50.34 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 78.1 p -61.62 -35.27 77.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.473 0.177 . . . . 0.0 110.818 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 65.7 mtt -73.33 143.84 46.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.449 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.33 147.51 42.57 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 34.0 mmm -65.11 -40.23 94.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.711 0.291 . . . . 0.0 110.608 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 77.9 p -66.8 -36.29 82.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.802 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.05 150.27 51.78 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 77.7 p -64.03 -35.92 82.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.736 0.303 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.99 7.49 76.26 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 16.4 p -75.88 162.73 27.88 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.834 0.349 . . . . 0.0 110.46 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.45 -41.24 99.38 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 85.4 t80 . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.571 -179.892 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.5 mtp . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.36 21.77 79.22 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -162.31 70.31 2.2 Favored Pre-proline 0 CA--C 1.542 0.672 0 CA-C-O 119.61 -0.233 . . . . 0.0 110.662 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -58.62 140.42 94.75 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 C-N-CA 121.174 1.249 . . . . 0.0 112.935 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -80.3 -39.64 1.2 Allowed Pre-proline 0 CA--C 1.552 1.029 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.922 179.033 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -58.81 -33.47 98.51 Favored 'Trans proline' 0 N--CA 1.504 2.097 0 CA-C-N 121.491 1.568 . . . . 0.0 112.729 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -155.22 84.51 3.61 Favored Pre-proline 0 CA--C 1.549 0.938 0 O-C-N 124.241 0.963 . . . . 0.0 110.767 -178.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.54 -165.22 0.04 OUTLIER 'Trans proline' 0 N--CA 1.501 1.935 0 CA-C-N 121.27 1.489 . . . . 0.0 113.175 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.35 163.16 69.56 Favored Pre-proline 0 CA--C 1.547 0.858 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.367 -179.382 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -76.24 -1.74 11.82 Favored 'Trans proline' 0 N--CA 1.502 2.014 0 C-N-CA 121.54 1.493 . . . . 0.0 112.541 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.4 mt -69.72 -43.07 73.11 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.832 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -56.62 -61.46 6.77 Favored Pre-proline 0 CA--C 1.546 0.823 0 CA-C-O 118.055 -0.974 . . . . 0.0 112.169 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -57.47 143.95 93.1 Favored 'Trans proline' 0 N--CA 1.502 2.028 0 CA-C-N 121.747 1.659 . . . . 0.0 112.845 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -71.73 143.68 49.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.301 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.59 -130.56 0.17 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.16 20.36 79.92 Favored Glycine 0 N--CA 1.461 0.333 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -66.36 -51.2 59.57 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.78 -23.64 1.95 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 -178.122 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.1 mt -109.36 115.56 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 O-C-N 124.191 0.932 . . . . 0.0 109.594 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.0 t -74.53 151.61 39.46 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.94 -15.32 59.7 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 122.553 -0.092 . . . . 0.0 111.14 -178.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.6 mt -114.83 -78.39 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 O-C-N 124.812 1.32 . . . . 0.0 110.289 -178.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.9 m -63.08 -10.43 14.41 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -176.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.05 -17.64 7.1 Favored Glycine 0 CA--C 1.524 0.654 0 CA-C-O 118.342 -1.255 . . . . 0.0 113.229 179.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -166.22 17.49 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 115.459 1.652 . . . . 0.0 115.459 -179.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -95.0 9.4 39.57 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-N 119.168 0.895 . . . . 0.0 112.193 178.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.48 66.54 9.73 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.17 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -139.67 -40.09 0.46 Allowed 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.927 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -162.34 -64.71 0.05 OUTLIER 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -80.57 141.73 34.8 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -126.01 42.43 3.3 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 124.586 1.179 . . . . 0.0 109.168 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -79.97 -36.0 36.72 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.892 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.4 p -80.04 -12.44 59.69 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.873 -178.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -65.25 -33.42 75.95 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.259 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 57.7 mtp -72.15 132.14 43.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.239 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -85.04 92.46 8.36 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.865 0.728 . . . . 0.0 110.695 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.9 mt -76.24 149.14 37.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.592 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.2 p -63.88 -43.58 95.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.717 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -74.17 138.87 44.08 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.264 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.3 m -63.63 127.29 30.7 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.205 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -80.94 117.17 21.34 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.771 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -70.07 143.22 52.52 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -63.76 139.79 58.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.237 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -73.33 139.11 45.81 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.367 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -153.17 136.93 16.1 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.877 0.736 . . . . 0.0 109.649 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -152.33 137.91 17.78 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 124.04 0.837 . . . . 0.0 109.985 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 94.9 m -64.79 -36.67 85.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.692 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -62.29 142.28 57.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.991 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.2 p -161.51 162.93 30.53 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.647 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -157.7 136.09 11.14 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.0 m80 30.39 83.59 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.238 0 O-C-N 125.451 1.72 . . . . 0.0 112.159 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -75.08 67.54 1.77 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.058 0.456 . . . . 0.0 110.636 -178.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 94.2 m -79.18 -73.07 0.36 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.261 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.9 m -97.42 82.15 3.08 Favored 'General case' 0 C--N 1.347 0.496 0 O-C-N 123.81 0.694 . . . . 0.0 110.147 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -59.49 -22.3 61.37 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.75 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 25.9 mt -63.22 -47.29 83.11 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 10.7 t -93.63 114.05 26.29 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 124.063 0.852 . . . . 0.0 108.711 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -67.11 -37.26 83.59 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -177.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.61 -29.1 64.29 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -177.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.64 -26.35 65.44 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-O 120.908 0.385 . . . . 0.0 110.935 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -61.3 -42.05 98.01 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.56 -178.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -87.03 -52.08 5.64 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 123.709 0.631 . . . . 0.0 112.048 -178.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -134.99 119.56 18.11 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 124.456 1.098 . . . . 0.0 109.871 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -58.65 134.63 56.95 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.626 0.579 . . . . 0.0 110.833 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.86 8.63 12.68 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 124.977 1.423 . . . . 0.0 110.632 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.9 mt -56.46 -1.11 0.05 OUTLIER 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -177.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.89 -43.04 94.19 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.404 -0.81 . . . . 0.0 110.728 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 pt -63.27 -73.0 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.731 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -75.93 114.66 14.81 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 117.987 0.358 . . . . 0.0 110.914 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -79.09 130.24 35.3 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.24 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -73.59 126.98 31.49 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.362 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -73.35 142.39 47.06 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.673 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -64.75 -42.91 94.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.412 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -73.13 136.44 44.84 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.801 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.23 165.99 52.93 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.88 -39.41 97.33 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.3 m -72.09 147.26 46.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.682 0.277 . . . . 0.0 110.665 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 16.7 ttp -64.76 -40.75 95.8 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.874 0.369 . . . . 0.0 110.111 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.48 159.78 47.61 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 52.8 mtt -63.54 -40.39 96.88 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 84.8 p -160.64 164.91 31.44 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.526 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.69 150.16 51.76 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 78.2 p -63.2 -39.19 93.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.796 0.332 . . . . 0.0 110.794 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.48 143.73 47.45 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.9 p -73.54 164.51 26.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.743 0.306 . . . . 0.0 110.34 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.06 24.95 76.58 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.15 -0.929 . . . . 0.0 110.777 -179.897 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.6 mtp . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.24 23.87 77.29 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -161.87 70.88 2.38 Favored Pre-proline 0 CA--C 1.543 0.679 0 CA-C-O 119.505 -0.283 . . . . 0.0 111.098 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -61.16 151.1 81.12 Favored 'Trans proline' 0 N--CA 1.499 1.841 0 C-N-CA 121.259 1.306 . . . . 0.0 112.072 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.3 t -141.03 71.47 28.33 Favored Pre-proline 0 CA--C 1.555 1.161 0 O-C-N 124.245 0.965 . . . . 0.0 109.651 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -56.31 -42.79 62.31 Favored 'Trans proline' 0 N--CA 1.502 1.974 0 C-N-CA 121.585 1.523 . . . . 0.0 112.687 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -73.75 151.15 88.91 Favored Pre-proline 0 CA--C 1.548 0.898 0 CA-C-O 118.236 -0.888 . . . . 0.0 109.761 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.76 -2.82 12.99 Favored 'Trans proline' 0 N--CA 1.499 1.851 0 CA-C-N 121.611 1.611 . . . . 0.0 112.598 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 48.72 74.03 0.89 Allowed Pre-proline 0 CA--C 1.546 0.799 0 O-C-N 124.278 0.986 . . . . 0.0 111.297 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -56.74 -34.08 95.46 Favored 'Trans proline' 0 N--CA 1.5 1.906 0 C-N-CA 121.805 1.67 . . . . 0.0 111.882 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.1 mt -68.11 -41.86 81.14 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.863 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 29.97 70.44 0.59 Allowed Pre-proline 0 N--CA 1.494 1.756 0 O-C-N 125.085 1.491 . . . . 0.0 112.673 -179.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -57.56 142.47 95.53 Favored 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 121.319 1.346 . . . . 0.0 112.55 -179.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.46 -38.72 92.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.739 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.83 -129.15 43.88 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 110.355 -1.098 . . . . 0.0 110.355 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -172.7 4.93 0.03 OUTLIER Glycine 0 CA--C 1.517 0.212 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.4 mptt 51.33 79.44 0.1 Allowed 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.481 0.658 . . . . 0.0 110.673 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -45.78 -26.15 0.61 Allowed 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 114.234 -1.348 . . . . 0.0 112.64 -178.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.8 mt -104.88 112.6 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.4 t -71.5 151.65 43.72 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.42 -15.1 59.52 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 111.236 0.087 . . . . 0.0 111.236 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.4 mt -114.48 -78.39 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 O-C-N 124.748 1.28 . . . . 0.0 110.015 -178.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.9 m -63.09 -7.91 6.58 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 -177.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.45 -18.92 4.14 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-O 118.078 -1.401 . . . . 0.0 112.93 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -166.2 17.91 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 116.142 1.904 . . . . 0.0 116.142 -178.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.463 ' N ' HD21 ' A' ' 26' ' ' ASN . 1.4 m-80 -94.02 11.18 30.63 Favored 'General case' 0 N--CA 1.501 2.113 0 CA-C-N 119.36 0.982 . . . . 0.0 111.973 178.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.9 65.24 7.52 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.951 0.881 . . . . 0.0 110.537 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -167.65 -17.57 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.098 -0.956 . . . . 0.0 112.028 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -145.49 -97.34 0.1 Allowed 'General case' 0 N--CA 1.472 0.638 0 O-C-N 123.888 0.743 . . . . 0.0 111.574 -178.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -81.59 157.61 24.67 Favored 'General case' 0 CA--C 1.515 -0.378 0 O-C-N 123.135 0.272 . . . . 0.0 110.605 -179.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -131.2 34.17 4.04 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 124.54 1.15 . . . . 0.0 109.169 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -82.52 -28.85 30.8 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.393 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.1 p -78.85 -14.04 59.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.843 -179.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -64.01 -42.07 97.25 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.187 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 45.1 mtp -66.81 -42.68 85.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.794 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -86.98 104.12 15.99 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.867 0.729 . . . . 0.0 110.74 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.3 mt -75.06 145.37 42.4 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.412 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.3 t -158.11 153.05 25.24 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.075 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -78.32 140.57 38.79 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.204 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.6 p -69.25 137.26 52.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.36 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -79.5 85.85 5.23 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.643 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -65.52 -42.11 92.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.36 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -71.44 142.08 50.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.577 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -72.19 139.73 48.37 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.858 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -130.79 151.03 51.67 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 124.329 1.018 . . . . 0.0 110.039 -179.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -68.92 117.98 11.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.739 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -163.67 165.81 22.91 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.39 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.81 152.46 27.07 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.01 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.2 p -161.82 164.51 28.76 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.193 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -146.92 146.59 30.19 Favored 'General case' 0 N--CA 1.461 0.114 0 O-C-N 124.104 0.878 . . . . 0.0 109.971 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -70.1 -28.56 65.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.675 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -61.75 -48.26 81.52 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -178.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 9.0 t -52.54 158.98 1.12 Allowed 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.3 m -80.53 -4.02 52.34 Favored 'General case' 0 C--O 1.227 -0.105 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.557 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 t70 67.46 52.17 0.81 Allowed 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.963 0.887 . . . . 0.0 112.829 178.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 pp -160.64 -41.58 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.069 177.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 9.3 t -93.6 114.87 27.3 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 124.223 0.952 . . . . 0.0 109.225 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -68.19 -34.85 77.05 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -177.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.24 -26.69 59.07 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -177.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.89 -27.3 68.05 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.882 0.372 . . . . 0.0 110.734 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -58.11 -44.64 87.81 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.108 -178.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -84.2 -51.0 7.38 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 123.723 0.639 . . . . 0.0 111.667 -178.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -134.39 113.06 11.49 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 124.459 1.1 . . . . 0.0 109.447 -178.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -56.33 135.37 53.78 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.615 0.572 . . . . 0.0 111.585 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -113.67 15.94 18.71 Favored 'General case' 0 C--O 1.214 -0.804 0 O-C-N 125.243 1.589 . . . . 0.0 110.385 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.7 mt -55.46 -3.23 0.06 Allowed 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -177.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.54 -48.08 78.97 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.414 -0.804 . . . . 0.0 110.555 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.4 ' CG1' ' H ' ' A' ' 69' ' ' HIS . 1.3 pt -60.26 -93.06 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.554 -178.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.4 ' H ' ' CG1' ' A' ' 68' ' ' ILE . 76.4 t60 -66.85 124.25 22.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.662 0.267 . . . . 0.0 110.97 -179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -76.9 142.21 40.22 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.232 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -154.05 145.48 23.08 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 123.638 0.586 . . . . 0.0 109.573 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -74.2 136.84 42.79 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.527 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -62.15 -43.82 97.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.809 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -71.12 141.66 50.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.436 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.85 -35.95 92.7 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -170.02 170.96 43.22 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 86.5 p -71.63 159.21 34.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.662 0.268 . . . . 0.0 110.452 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 45.1 mtm -73.32 138.0 45.15 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.925 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 72.16 -172.35 47.31 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 44.0 mtm -73.42 144.33 46.39 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.8 t -61.0 -44.08 97.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -170.08 167.79 40.85 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 86.1 p -72.7 162.32 29.63 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.709 0.29 . . . . 0.0 110.603 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.79 170.24 20.81 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.5 p -76.51 164.93 25.48 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.625 0.25 . . . . 0.0 110.561 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.79 12.49 84.4 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 . . . . . 0 N--CA 1.469 0.523 0 CA-C-O 118.07 -0.967 . . . . 0.0 109.822 179.825 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.2 mmm . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -69.3 158.59 53.23 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 50.76 69.3 2.68 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 122.856 0.463 . . . . 0.0 111.771 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -59.09 149.37 80.41 Favored 'Trans proline' 0 N--CA 1.499 1.85 0 C-N-CA 121.393 1.396 . . . . 0.0 111.872 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.2 t -136.76 72.74 55.36 Favored Pre-proline 0 CA--C 1.562 1.429 0 O-C-N 124.182 0.926 . . . . 0.0 109.383 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -55.23 -41.08 82.0 Favored 'Trans proline' 0 N--CA 1.505 2.161 0 C-N-CA 121.803 1.669 . . . . 0.0 112.95 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.8 t80 56.48 71.96 1.07 Allowed Pre-proline 0 CA--C 1.558 1.266 0 O-C-N 123.785 0.678 . . . . 0.0 110.745 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -76.87 -179.98 5.93 Favored 'Trans proline' 0 N--CA 1.493 1.449 0 C-N-CA 121.192 1.261 . . . . 0.0 111.923 -178.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.19 159.54 80.04 Favored Pre-proline 0 CA--C 1.548 0.891 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.029 -178.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -68.33 -18.14 44.42 Favored 'Trans proline' 0 N--CA 1.502 1.973 0 C-N-CA 121.272 1.315 . . . . 0.0 112.468 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.2 mt -63.52 -38.32 90.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.318 -179.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 50.18 71.29 1.61 Allowed Pre-proline 0 CA--C 1.55 0.946 0 O-C-N 123.926 0.766 . . . . 0.0 111.254 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -58.68 143.75 98.4 Favored 'Trans proline' 0 N--CA 1.5 1.872 0 C-N-CA 121.412 1.408 . . . . 0.0 112.358 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 92.1 mtt-85 -65.03 -38.01 89.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.378 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.1 -178.15 37.79 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.55 138.63 32.26 Favored Glycine 0 C--O 1.234 0.13 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt -67.67 -50.43 57.78 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -47.49 -21.67 0.36 Allowed 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -179.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.1 mm -108.42 111.74 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 O-C-N 123.615 0.572 . . . . 0.0 109.706 179.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.9 t -74.27 152.61 39.65 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.38 -15.94 59.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.864 -0.153 . . . . 0.0 111.171 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.0 mt -116.34 -78.65 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 O-C-N 124.784 1.303 . . . . 0.0 110.719 -177.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.3 -12.33 40.62 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -176.248 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.97 -13.43 14.02 Favored Glycine 0 CA--C 1.535 1.319 0 CA-C-O 118.227 -1.319 . . . . 0.0 113.466 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -164.38 18.83 0.06 Allowed 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -94.81 0.46 54.9 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-N 118.919 0.781 . . . . 0.0 111.474 177.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.71 55.21 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.816 0.817 . . . . 0.0 109.308 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -164.72 -7.28 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.194 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -154.07 -125.6 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.995 0 O-C-N 123.249 0.343 . . . . 0.0 110.989 -178.034 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -72.25 142.22 48.94 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -109.7 46.61 1.0 Allowed 'General case' 0 N--CA 1.467 0.385 0 O-C-N 124.783 1.302 . . . . 0.0 109.647 -179.003 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -81.03 -37.37 29.21 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.355 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.0 p -79.5 -11.71 59.89 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.659 0.599 . . . . 0.0 110.726 -178.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.34 -36.33 83.79 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.233 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 34.8 mmm -66.81 -40.29 88.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.523 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -84.01 114.0 21.4 Favored 'General case' 0 N--CA 1.464 0.257 0 O-C-N 123.857 0.723 . . . . 0.0 110.935 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.4 mt -74.56 155.36 37.98 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 25.1 p -134.24 153.13 52.04 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 124.38 1.05 . . . . 0.0 110.34 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -62.94 -41.76 99.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.181 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.6 p -136.01 155.87 49.59 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 124.221 0.951 . . . . 0.0 109.926 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -84.87 18.23 2.52 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.277 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 91.9 mtm180 -125.65 141.28 52.1 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 124.23 0.956 . . . . 0.0 109.618 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -69.95 147.02 50.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.316 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -60.64 -44.59 96.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.445 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -154.51 125.57 7.24 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.708 0.63 . . . . 0.0 109.9 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -90.23 92.46 8.94 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.881 0.738 . . . . 0.0 110.122 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 82.9 m -66.52 -54.84 19.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.936 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -81.18 145.82 30.81 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.662 0.601 . . . . 0.0 109.984 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.9 p -164.04 157.81 18.76 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.71 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -150.65 147.92 27.98 Favored 'General case' 0 C--N 1.344 0.357 0 O-C-N 123.851 0.719 . . . . 0.0 110.353 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -66.34 -32.93 74.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.978 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -65.36 -47.52 76.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.265 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.5 t -46.9 154.82 0.3 Allowed 'General case' 0 C--N 1.343 0.292 0 O-C-N 123.879 0.737 . . . . 0.0 112.71 -179.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.5 p -74.16 -6.38 47.41 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.096 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t0 68.22 47.04 1.04 Allowed 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.445 178.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 pp -163.69 -40.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.063 177.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.1 t -92.46 118.31 30.83 Favored 'General case' 0 C--N 1.341 0.215 0 O-C-N 124.217 0.948 . . . . 0.0 109.699 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -69.03 -37.43 78.6 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -177.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -72.79 -27.59 62.08 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.5 m -62.53 -20.69 64.9 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 120.9 0.381 . . . . 0.0 111.008 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -59.89 -43.59 94.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.644 -177.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -90.65 -49.81 6.27 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.787 0.679 . . . . 0.0 112.253 -178.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -133.67 115.5 14.69 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 124.461 1.101 . . . . 0.0 110.24 -178.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -57.19 134.25 55.74 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.678 0.612 . . . . 0.0 111.338 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.3 13.04 17.76 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 125.078 1.486 . . . . 0.0 110.607 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.2 mt -56.1 -1.86 0.05 Allowed 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 -177.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.63 -43.46 96.76 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.45 -0.781 . . . . 0.0 110.626 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -59.44 -74.89 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.875 -178.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -57.16 128.8 38.82 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.887 0.375 . . . . 0.0 111.287 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -66.04 -45.44 81.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.166 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -71.68 128.87 37.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.37 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -66.35 -37.62 85.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.867 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -153.44 146.73 24.78 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.615 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -71.07 138.01 49.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.239 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.75 162.45 50.73 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.26 -37.19 94.18 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 94.5 p -72.48 160.85 31.63 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.895 0.379 . . . . 0.0 110.721 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 32.5 mmm -64.69 -39.17 93.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.151 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -174.02 175.15 46.54 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 48.2 mtp -64.18 -39.85 94.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.712 0.291 . . . . 0.0 110.25 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.7 p -73.89 164.73 26.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.771 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -70.05 162.57 52.77 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.3 p -161.96 161.35 28.58 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.82 0.343 . . . . 0.0 110.415 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.21 23.85 77.01 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 18.3 p -65.73 -32.92 74.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.757 0.313 . . . . 0.0 110.499 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.97 -49.45 72.11 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 . . . . . 0 C--O 1.221 -0.408 0 CA-C-O 117.887 -1.054 . . . . 0.0 110.5 179.746 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.459 0.227 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -67.04 -45.37 77.64 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -53.95 -33.45 56.88 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 124.288 0.993 . . . . 0.0 113.522 -179.313 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.3 mt -116.49 108.93 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.0 t -67.3 118.7 11.03 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.07 -8.36 52.85 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.848 -177.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.2 mt -95.38 -74.64 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 O-C-N 124.46 1.1 . . . . 0.0 111.522 -177.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 21.6 p -97.3 -17.67 19.64 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -176.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.09 21.96 72.43 Favored Glycine 0 CA--C 1.525 0.719 0 CA-C-O 118.053 -1.415 . . . . 0.0 113.499 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -162.8 12.37 0.07 Allowed 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 120.308 2.054 . . . . 0.0 113.389 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 -100.09 0.5 40.85 Favored 'General case' 0 N--CA 1.505 2.305 0 CA-C-N 118.791 0.723 . . . . 0.0 110.595 175.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.51 -73.09 0.05 Allowed 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.565 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -58.61 -49.66 76.69 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.224 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -78.75 -156.29 0.1 Allowed 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.203 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -105.89 161.19 14.67 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 124.162 0.914 . . . . 0.0 112.138 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -74.03 78.01 1.71 Allowed 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.752 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -111.69 -40.34 4.34 Favored 'General case' 0 CA--C 1.516 -0.349 0 O-C-N 124.821 1.326 . . . . 0.0 110.81 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 p -85.68 -13.35 48.8 Favored 'General case' 0 CA--C 1.515 -0.367 0 O-C-N 124.121 0.888 . . . . 0.0 109.335 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -67.74 -38.9 84.14 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.23 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 35.1 mmm -65.33 -41.63 93.76 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.2 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -79.41 142.61 35.8 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.774 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.4 mt -78.21 131.9 37.34 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.804 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.9 p -75.55 -18.36 59.8 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.242 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -60.46 -43.54 96.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.7 p -63.49 -34.94 78.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.804 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -159.72 103.23 1.53 Allowed 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.574 0.546 . . . . 0.0 110.521 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -72.08 141.5 49.23 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.948 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.76 139.19 57.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.012 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -77.14 127.62 32.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.261 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -71.46 135.07 47.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.024 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -77.96 105.83 9.41 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.625 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 94.3 m -65.35 -40.12 93.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.544 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -67.51 142.42 56.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.952 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.9 p -160.05 160.85 33.68 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.395 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -160.21 146.75 15.76 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 69.26 -9.61 0.6 Allowed 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.258 0.623 . . . . 0.0 112.627 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 41.18 86.34 0.02 OUTLIER 'General case' 0 C--N 1.348 0.503 0 C-N-CA 124.057 0.943 . . . . 0.0 113.05 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -44.54 162.12 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -178.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.6 m -59.95 -40.53 89.32 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.645 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -116.72 -88.15 0.6 Allowed 'General case' 0 C--N 1.346 0.439 0 O-C-N 124.454 1.096 . . . . 0.0 110.338 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 pp -161.67 12.28 0.08 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.239 0.542 . . . . 0.0 110.941 -178.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -71.63 125.28 26.68 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -65.08 -48.94 71.98 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 -174.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -70.56 -22.16 62.62 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -176.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -61.69 -21.38 64.41 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.078 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -59.42 -41.72 90.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.037 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -80.83 -56.43 4.13 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.198 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -143.09 123.17 13.63 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 124.584 1.178 . . . . 0.0 109.018 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -54.45 137.72 41.82 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 123.842 0.714 . . . . 0.0 111.948 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.6 34.74 5.06 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 124.926 1.391 . . . . 0.0 110.782 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.8 mt -66.56 1.86 1.55 Allowed 'General case' 0 CA--C 1.55 0.958 0 O-C-N 120.914 -1.117 . . . . 0.0 111.884 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.63 -36.41 76.12 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 121.97 -0.456 . . . . 0.0 111.917 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.8 pt -65.98 -53.41 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 120.135 -0.626 . . . . 0.0 111.27 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -55.99 -45.15 79.1 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.23 0.468 . . . . 0.0 111.464 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.2 m80 . . . . . 0 C--N 1.331 -0.209 0 CA-C-O 120.89 0.376 . . . . 0.0 110.434 179.749 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 -0.131 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -71.9 -49.75 35.19 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.69 -29.41 18.11 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -177.533 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.5 mt -112.19 119.79 60.98 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.561 0 O-C-N 124.674 1.234 . . . . 0.0 109.726 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.7 t -76.33 149.78 36.98 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 177.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.68 -12.82 60.01 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.0 mt -114.34 -74.96 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 O-C-N 124.745 1.278 . . . . 0.0 111.146 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -67.75 -15.76 63.79 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.031 -176.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.79 -18.16 36.48 Favored Glycine 0 CA--C 1.529 0.936 0 CA-C-O 118.13 -1.372 . . . . 0.0 113.317 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -166.4 21.4 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 119.596 1.698 . . . . 0.0 113.717 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -89.69 -5.04 57.43 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.169 -0.957 . . . . 0.0 111.135 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.0 64.98 5.01 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -162.09 -60.63 0.05 OUTLIER 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.872 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.18 -84.21 0.39 Allowed 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.522 1.138 . . . . 0.0 111.954 -177.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -110.93 164.0 13.24 Favored 'General case' 0 CA--C 1.509 -0.614 0 O-C-N 124.4 1.063 . . . . 0.0 109.516 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -129.38 45.56 2.78 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 124.967 1.417 . . . . 0.0 109.447 -178.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -87.06 -35.23 18.84 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.871 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.2 p -79.8 -6.22 56.9 Favored 'General case' 0 C--O 1.224 -0.255 0 O-C-N 123.387 0.429 . . . . 0.0 110.637 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.64 -34.35 77.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.078 0.466 . . . . 0.0 110.173 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 47.3 mtp -65.13 -42.58 93.74 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.153 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -86.36 140.67 29.81 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 123.744 0.652 . . . . 0.0 110.546 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.3 mt -90.91 17.49 7.78 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 123.684 0.615 . . . . 0.0 109.746 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.0 p -81.76 157.27 24.58 Favored 'General case' 0 C--O 1.233 0.22 0 O-C-N 123.801 0.688 . . . . 0.0 109.89 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -82.49 136.22 34.94 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.872 0.732 . . . . 0.0 110.816 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.0 m -63.15 -49.39 74.54 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.734 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -84.78 109.22 17.91 Favored 'General case' 0 C--N 1.344 0.333 0 O-C-N 123.976 0.797 . . . . 0.0 109.984 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -64.1 -45.16 89.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.067 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -67.95 132.24 46.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.356 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -62.25 -47.36 84.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.963 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -76.88 134.17 39.07 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.862 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -81.58 86.66 6.34 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.734 0.646 . . . . 0.0 110.951 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.6 t -75.95 109.46 9.6 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.956 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -80.29 116.47 20.39 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.652 0.595 . . . . 0.0 109.862 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.3 t -76.67 -79.57 0.11 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.934 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -79.27 140.92 37.47 Favored 'General case' 0 C--N 1.342 0.252 0 CA-C-O 121.01 0.433 . . . . 0.0 110.519 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -72.7 -17.29 61.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.431 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -64.79 -42.87 94.73 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.21 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -49.07 141.52 7.89 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 124.212 0.945 . . . . 0.0 110.869 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -161.46 20.35 0.12 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.673 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -143.7 21.39 1.82 Allowed 'General case' 0 N--CA 1.474 0.765 0 O-C-N 123.972 0.795 . . . . 0.0 110.715 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 56.23 13.63 1.29 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.432 0.693 . . . . 0.0 111.336 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.7 t -90.51 118.15 29.75 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.492 -1.231 . . . . 0.0 108.789 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -67.81 -37.53 82.09 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 114.801 -1.09 . . . . 0.0 113.151 -176.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -76.09 -24.15 55.02 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -177.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -62.18 -23.33 66.55 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.621 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -56.22 -39.45 72.53 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.266 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -90.67 -53.67 4.32 Favored 'General case' 0 CA--C 1.516 -0.357 0 O-C-N 124.038 0.836 . . . . 0.0 111.223 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -137.47 114.8 10.99 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 124.441 1.088 . . . . 0.0 110.48 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -53.95 140.24 31.65 Favored 'General case' 0 C--O 1.236 0.379 0 O-C-N 124.557 1.161 . . . . 0.0 111.151 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -130.28 38.84 3.72 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 124.986 1.428 . . . . 0.0 110.347 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.2 mt -73.51 3.11 6.55 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 121.553 -0.717 . . . . 0.0 110.458 179.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.49 -48.04 61.95 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.5 pt -63.0 -42.41 96.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.372 -178.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -58.79 -45.18 90.46 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 85.3 t60 . . . . . 0 N--CA 1.463 0.198 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.25 179.877 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.261 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -63.86 -52.54 59.56 Favored 'General case' 0 C--O 1.212 -0.903 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -48.48 -24.58 1.33 Allowed 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -178.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.1 mm -108.18 114.15 45.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 O-C-N 123.972 0.795 . . . . 0.0 110.183 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.8 t -73.96 150.67 40.63 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.53 -15.38 59.89 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 121.5 -0.08 . . . . 0.0 111.194 -178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.5 mt -114.74 -78.04 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 O-C-N 124.71 1.256 . . . . 0.0 110.636 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.9 m -63.34 -12.57 30.98 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -176.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.17 -18.65 9.5 Favored Glycine 0 C--O 1.217 -0.945 0 CA-C-O 117.861 -1.522 . . . . 0.0 113.34 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -165.88 18.54 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -94.19 6.89 47.19 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 118.567 0.621 . . . . 0.0 111.65 177.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.54 63.71 5.95 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.79 0.805 . . . . 0.0 109.147 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -173.78 -9.12 0.01 OUTLIER 'General case' 0 C--O 1.237 0.415 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.218 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -149.6 -129.84 0.05 Allowed 'General case' 0 CA--C 1.549 0.912 0 O-C-N 123.042 0.214 . . . . 0.0 111.536 -178.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -65.29 134.48 53.7 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 122.239 -0.288 . . . . 0.0 110.385 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -104.41 40.51 1.46 Allowed 'General case' 0 C--N 1.345 0.374 0 O-C-N 124.488 1.118 . . . . 0.0 109.702 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -83.08 -31.45 27.3 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.881 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.9 p -77.84 -13.04 60.01 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.6 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -64.94 -42.63 94.48 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.413 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.3 mtm -71.45 -43.81 65.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -82.47 174.09 11.4 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.568 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.8 mt -109.39 125.18 52.12 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 124.288 0.993 . . . . 0.0 108.782 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.1 p -80.35 163.67 23.72 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.757 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -82.05 138.59 34.81 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.643 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 82.0 m -63.48 -46.31 86.75 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.322 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -82.39 88.54 6.57 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.697 0.623 . . . . 0.0 110.451 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.8 mtm-85 -78.86 133.41 36.99 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.706 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -84.07 108.8 17.22 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 123.813 0.696 . . . . 0.0 110.335 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -88.67 127.82 35.59 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.88 0.738 . . . . 0.0 110.099 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -73.89 134.14 43.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.144 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -64.49 -40.97 96.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 t -72.49 112.71 8.79 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.469 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -131.9 113.34 13.34 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 124.403 1.064 . . . . 0.0 109.643 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.4 t -62.97 -44.25 96.56 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.98 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -146.82 134.92 21.56 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 124.186 0.929 . . . . 0.0 109.843 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -82.91 19.44 1.37 Allowed 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.565 0.541 . . . . 0.0 111.132 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -62.13 -48.15 81.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.842 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.43 15.08 0.25 Allowed 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.231 0.539 . . . . 0.0 109.973 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -60.13 -47.28 86.58 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.067 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -67.18 -53.74 27.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.783 0.325 . . . . 0.0 111.461 -178.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.7 mt -60.87 -68.42 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.515 -178.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 22.8 t -91.02 113.53 25.81 Favored 'General case' 0 C--N 1.339 0.146 0 O-C-N 123.969 0.793 . . . . 0.0 109.262 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -70.4 -34.87 73.05 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.849 -178.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.67 -27.88 62.37 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -177.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.77 -24.63 65.91 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.828 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -54.74 -45.27 74.11 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.084 -177.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -80.19 -51.25 9.18 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.53 0.519 . . . . 0.0 111.446 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -139.52 113.56 8.8 Favored 'General case' 0 C--O 1.219 -0.55 0 O-C-N 124.376 1.047 . . . . 0.0 109.169 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.3 mmtt -53.14 138.66 30.85 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 124.266 0.979 . . . . 0.0 111.379 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.54 16.93 11.26 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 124.924 1.39 . . . . 0.0 110.088 179.416 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.6 mt -59.4 -1.3 0.21 Allowed 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.05 -45.13 94.92 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 121.939 -0.476 . . . . 0.0 110.835 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -58.63 -70.87 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.331 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -73.18 123.52 23.81 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 117.972 0.351 . . . . 0.0 110.453 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 . . . . . 0 C--N 1.331 -0.199 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.189 179.869 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.736 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -59.23 138.1 57.72 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-O 121.694 0.759 . . . . 0.0 109.494 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -59.44 -53.28 59.98 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 114.233 -1.349 . . . . 0.0 112.788 -176.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.0 mp -99.17 120.58 48.69 Favored 'Isoleucine or valine' 0 C--N 1.346 0.445 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.2 t -70.32 144.54 51.66 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.68 -8.28 53.15 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -176.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.8 mt -118.64 -74.76 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 124.5 1.125 . . . . 0.0 111.23 -177.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -71.05 -28.33 64.29 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.452 -176.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.72 -23.4 16.82 Favored Glycine 0 CA--C 1.525 0.689 0 O-C-N 124.113 0.883 . . . . 0.0 111.621 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -146.5 16.55 1.3 Allowed 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 -177.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.66 -40.76 40.6 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 118.924 0.784 . . . . 0.0 110.099 177.414 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.13 -34.73 32.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 124.655 1.222 . . . . 0.0 109.354 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -75.14 -54.43 7.15 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.459 177.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -95.35 -134.3 0.2 Allowed 'General case' 0 N--CA 1.483 1.22 0 O-C-N 124.043 0.839 . . . . 0.0 111.856 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -73.28 173.15 9.91 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 117.994 0.361 . . . . 0.0 110.65 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -128.14 46.88 2.5 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 124.284 0.99 . . . . 0.0 109.826 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -102.64 -28.71 11.97 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.914 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 p -83.29 -6.37 59.45 Favored 'General case' 0 N--CA 1.471 0.575 0 O-C-N 123.575 0.547 . . . . 0.0 109.883 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.44 -37.88 85.15 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.904 178.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 35.3 mtm -65.96 -41.67 90.94 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -156.18 137.78 14.14 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.51 0.506 . . . . 0.0 110.551 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.22 126.44 30.62 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 32.2 m -83.57 121.85 27.79 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.752 0.658 . . . . 0.0 109.708 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -79.45 131.86 36.2 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.337 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.8 t -156.74 148.28 22.46 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.652 0.595 . . . . 0.0 110.466 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -81.0 85.07 6.33 Favored 'General case' 0 N--CA 1.462 0.168 0 O-C-N 123.759 0.662 . . . . 0.0 110.368 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -73.23 132.35 43.07 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.746 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.5 p-10 -67.77 135.11 52.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.486 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -61.72 -48.01 82.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.658 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -68.34 127.31 32.49 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.55 HD21 HH12 ' A' ' 61' ' ' ARG . 10.8 t-20 -78.96 129.3 34.33 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.53 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.9 m -65.49 -42.72 91.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.125 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -138.92 149.95 45.37 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 124.215 0.947 . . . . 0.0 109.712 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.7 p -159.94 156.63 27.51 Favored 'General case' 0 N--CA 1.463 0.176 0 O-C-N 123.438 0.462 . . . . 0.0 110.614 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -149.36 150.28 32.21 Favored 'General case' 0 N--CA 1.464 0.237 0 O-C-N 124.09 0.869 . . . . 0.0 109.431 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -92.16 -11.71 34.82 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 124.014 0.821 . . . . 0.0 110.952 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt -63.77 -40.36 96.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.797 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 10.4 t -96.21 146.9 24.3 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 123.767 0.667 . . . . 0.0 110.977 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.5 m -57.95 -1.31 0.11 Allowed 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 75.08 -11.94 1.01 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.544 1.138 . . . . 0.0 111.85 179.12 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.22 -53.14 57.74 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.7 t -93.61 126.78 38.96 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 124.2 0.937 . . . . 0.0 108.821 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -73.34 -40.62 64.3 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -176.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -74.1 -24.97 59.54 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -177.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.4 m -64.18 -20.71 66.2 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.287 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.55 HH12 HD21 ' A' ' 46' ' ' ASN . 99.6 mtt180 -57.58 -36.23 71.42 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.236 -177.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -90.38 -53.9 4.24 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.932 0.77 . . . . 0.0 111.935 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -140.67 115.87 9.91 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 124.293 0.996 . . . . 0.0 109.662 -178.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -50.08 144.5 6.85 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 124.184 0.928 . . . . 0.0 112.562 -178.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.76 26.69 6.6 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.795 1.309 . . . . 0.0 110.99 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.4 mt -63.95 2.69 0.48 Allowed 'General case' 0 CA--C 1.554 1.098 0 O-C-N 120.965 -1.085 . . . . 0.0 112.416 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.23 -39.9 65.1 Favored 'General case' 0 N--CA 1.454 -0.271 0 O-C-N 122.063 -0.398 . . . . 0.0 111.993 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.9 pt -62.13 -63.22 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.74 0 C-N-CA 120.098 -0.641 . . . . 0.0 111.237 -178.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -64.84 128.69 36.84 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 118.809 0.731 . . . . 0.0 110.316 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 . . . . . 0 C--N 1.333 -0.142 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.215 179.588 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.165 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -72.74 -48.14 41.03 Favored 'General case' 0 C--O 1.208 -1.118 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -54.62 -35.07 63.02 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -178.471 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.8 mm -110.14 117.38 54.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 O-C-N 124.333 1.02 . . . . 0.0 109.594 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.0 t -69.42 139.45 54.06 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.883 178.17 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.17 -11.18 60.02 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.914 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.8 mt -109.54 -72.3 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 O-C-N 124.416 1.072 . . . . 0.0 110.65 -178.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.4 m -66.22 -16.98 64.45 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.88 -177.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.88 -8.84 13.24 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.841 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -155.25 15.15 0.39 Allowed 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -97.39 -130.8 0.19 Allowed 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 118.412 0.551 . . . . 0.0 109.709 176.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 48.26 59.54 4.22 Favored 'General case' 0 C--N 1.35 0.588 0 C-N-CA 123.506 0.722 . . . . 0.0 111.409 177.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -159.11 -30.8 0.07 Allowed 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.055 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -145.45 -95.9 0.1 Allowed 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.554 0.534 . . . . 0.0 111.99 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -90.61 131.39 36.35 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 122.746 0.418 . . . . 0.0 110.654 -178.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -93.83 47.65 1.23 Allowed 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.995 0.81 . . . . 0.0 109.964 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -83.42 -31.72 26.49 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.234 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.6 p -78.15 -13.45 59.86 Favored 'General case' 0 C--N 1.333 -0.122 0 O-C-N 123.446 0.466 . . . . 0.0 110.427 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -71.93 -6.58 42.95 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.053 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.7 mtp -122.91 152.44 40.8 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 124.538 1.149 . . . . 0.0 110.031 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -76.76 98.93 4.94 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.244 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 69.4 mt -76.85 145.92 38.06 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.799 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.0 m -63.64 -46.5 85.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.243 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -83.33 83.0 8.03 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.726 0.642 . . . . 0.0 110.769 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.4 p -68.97 -36.97 78.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.695 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -80.28 112.85 18.0 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.631 0.582 . . . . 0.0 110.156 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -128.34 104.3 7.64 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 124.545 1.153 . . . . 0.0 109.741 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -76.46 114.2 14.9 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.789 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -84.75 141.68 30.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.551 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.83 -43.34 93.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.465 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 53.98 33.98 18.64 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.968 0.793 . . . . 0.0 110.742 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.3 m -63.56 -47.66 80.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.224 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -136.6 138.56 41.32 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 124.211 0.944 . . . . 0.0 109.315 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.0 t -164.73 152.92 12.12 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.897 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -147.65 151.78 36.76 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 124.099 0.875 . . . . 0.0 109.185 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -110.47 10.88 23.2 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 123.952 0.782 . . . . 0.0 110.168 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.93 -43.41 98.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.925 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 6.8 m -78.4 -147.01 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.316 0 O-C-N 123.376 0.423 . . . . 0.0 110.222 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.9 m -86.15 83.51 7.72 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.33 0.652 . . . . 0.0 109.958 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -44.73 -31.84 1.32 Allowed 'General case' 0 N--CA 1.478 0.938 0 O-C-N 124.428 1.08 . . . . 0.0 111.714 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.8 mt -61.17 -47.41 86.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.559 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.1 t -91.15 116.12 28.56 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 123.882 0.739 . . . . 0.0 109.086 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -66.02 -36.36 83.07 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -176.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.68 -26.21 54.53 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -177.57 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -62.09 -22.53 65.86 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.981 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -57.45 -35.84 70.63 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.967 -178.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -89.04 -54.62 4.04 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.929 0.768 . . . . 0.0 111.361 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -142.69 118.06 10.25 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 124.222 0.951 . . . . 0.0 109.888 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.8 mmtt -51.57 135.59 27.95 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.858 0.724 . . . . 0.0 112.202 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.43 30.86 6.88 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 124.892 1.37 . . . . 0.0 110.114 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.1 mt -67.63 1.5 2.39 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.635 -0.666 . . . . 0.0 111.935 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.96 -52.04 65.62 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.3 pt -58.06 -55.97 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 120.261 -0.575 . . . . 0.0 111.56 -177.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -56.65 -40.56 75.67 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 118.105 0.411 . . . . 0.0 111.123 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.1 m80 . . . . . 0 N--CA 1.473 0.683 0 O-C-N 123.893 0.745 . . . . 0.0 110.748 -179.903 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.381 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.32 -51.28 58.92 Favored 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.95 -24.16 15.5 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -177.475 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.4 mt -113.55 113.16 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 O-C-N 124.266 0.979 . . . . 0.0 109.025 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.6 t -71.99 149.46 44.97 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.89 -11.38 59.81 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.3 mt -116.14 -78.68 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 124.776 1.297 . . . . 0.0 109.819 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.0 m -63.19 -14.82 53.43 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -176.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.23 -25.4 7.96 Favored Glycine 0 CA--C 1.525 0.682 0 CA-C-O 118.486 -1.175 . . . . 0.0 113.12 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.6 p30 -166.54 17.66 0.03 OUTLIER 'General case' 0 CA--C 1.559 1.298 0 CA-C-N 119.187 1.494 . . . . 0.0 114.048 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -96.55 14.37 24.95 Favored 'General case' 0 N--CA 1.5 2.052 0 CA-C-O 121.485 0.66 . . . . 0.0 110.881 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.96 -61.39 2.61 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.337 -1.301 . . . . 0.0 108.013 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -2.08 -71.98 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 O-C-N 126.295 2.247 . . . . 0.0 114.235 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -156.1 -45.67 0.08 Allowed 'General case' 0 N--CA 1.475 0.807 0 O-C-N 123.867 0.729 . . . . 0.0 111.214 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -74.03 78.29 1.7 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.695 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -84.35 41.05 0.81 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.388 0.613 . . . . 0.0 109.828 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -83.69 -33.83 25.08 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.495 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.4 p -79.62 -9.04 59.57 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.659 0.599 . . . . 0.0 110.807 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -65.87 -18.04 65.07 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.665 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 34.3 mmm -81.01 138.92 36.03 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.721 0.638 . . . . 0.0 110.027 179.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -79.69 93.32 5.52 Favored 'General case' 0 N--CA 1.463 0.217 0 O-C-N 123.579 0.549 . . . . 0.0 111.219 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 mt -117.04 118.26 31.9 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 124.371 1.044 . . . . 0.0 109.468 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.5 p -73.52 -26.2 60.77 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.441 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -60.99 -44.66 97.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.151 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.7 p -74.4 80.34 1.89 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.538 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -73.78 142.05 46.23 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.285 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.7 mtp85 -71.5 142.31 50.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.04 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -69.06 132.11 46.1 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.057 0.456 . . . . 0.0 110.007 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -64.71 -44.35 90.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.011 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.72 -43.95 95.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.617 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.0 t30 54.58 39.21 31.02 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.902 0.751 . . . . 0.0 111.2 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.9 t -74.08 131.47 41.36 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.81 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -67.51 140.75 57.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.409 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 38.4 t -62.48 -42.55 99.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.401 ' H ' ' NH1' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -157.59 173.47 16.81 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 123.494 0.496 . . . . 0.0 110.013 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -131.26 32.24 4.27 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 124.11 0.881 . . . . 0.0 111.26 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.72 -48.6 76.41 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.857 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -169.59 164.25 10.26 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.114 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 57.1 m 35.59 70.09 0.16 Allowed 'General case' 0 C--N 1.355 0.834 0 O-C-N 124.934 1.396 . . . . 0.0 112.258 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -56.24 -26.46 51.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.878 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.66 -47.87 81.8 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 24.4 t -94.12 111.77 23.52 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 124.283 0.99 . . . . 0.0 109.787 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -68.46 -36.11 78.54 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.753 -177.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.94 -26.2 60.37 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -177.277 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -61.18 -26.65 67.86 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.332 0.586 . . . . 0.0 110.054 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.401 ' NH1' ' H ' ' A' ' 50' ' ' TYR . 98.8 mtt180 -60.61 -38.27 84.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.836 -177.726 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -88.74 -52.85 4.91 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.856 0.723 . . . . 0.0 111.539 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -137.11 116.15 12.42 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 124.394 1.059 . . . . 0.0 109.639 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -54.38 133.96 45.46 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 123.808 0.692 . . . . 0.0 111.526 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -123.51 18.1 9.66 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 125.054 1.471 . . . . 0.0 111.078 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.49 2.16 0.11 Allowed 'General case' 0 CA--C 1.554 1.132 0 O-C-N 121.045 -1.034 . . . . 0.0 113.086 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.28 -42.18 79.93 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 121.611 -0.681 . . . . 0.0 111.185 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 pt -59.71 -69.39 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.365 -178.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -76.09 127.97 34.04 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 118.022 0.374 . . . . 0.0 110.755 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 75.6 m80 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.665 -179.885 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.555 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -72.46 -47.47 48.61 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 178.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -62.37 -51.23 68.4 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.001 -0.679 . . . . 0.0 112.284 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.3 mp -105.05 124.1 59.56 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 O-C-N 123.59 0.556 . . . . 0.0 110.758 -177.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 t -81.69 144.1 31.4 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 177.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.11 -11.23 56.64 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -176.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.2 mt -116.74 -70.8 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 O-C-N 124.563 1.164 . . . . 0.0 111.801 -177.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -79.0 -27.73 43.32 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -176.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.98 -9.18 57.88 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-O 119.011 -0.883 . . . . 0.0 112.196 -178.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -148.03 16.22 1.07 Allowed 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 -177.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.46 -38.76 21.41 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 118.935 0.788 . . . . 0.0 109.914 177.316 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.89 -33.91 67.35 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.307 -177.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -81.21 -40.61 23.58 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.216 177.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -108.02 -136.85 0.36 Allowed 'General case' 0 N--CA 1.486 1.345 0 O-C-N 124.362 1.039 . . . . 0.0 113.082 -177.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -68.25 -168.46 0.11 Allowed 'General case' 0 N--CA 1.474 0.748 0 O-C-N 122.171 -0.33 . . . . 0.0 111.539 -178.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -138.15 25.86 2.7 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 123.613 0.571 . . . . 0.0 110.902 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -96.48 -14.43 22.35 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 124.292 0.995 . . . . 0.0 111.284 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.9 p -79.32 -17.47 54.51 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 123.541 0.525 . . . . 0.0 110.804 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -67.76 -18.25 64.81 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.2 mmm -65.32 -41.94 93.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.694 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -85.87 113.96 22.42 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.934 0.771 . . . . 0.0 111.072 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.6 mt -72.54 148.48 44.95 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.0 p -139.58 162.84 34.11 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 124.415 1.072 . . . . 0.0 110.308 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -75.11 167.42 21.96 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.513 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.5 m -61.7 -45.62 93.2 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -79.98 103.0 9.56 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.525 0.516 . . . . 0.0 110.513 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -74.47 136.61 42.27 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.746 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -79.13 110.02 13.99 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 123.554 0.534 . . . . 0.0 110.591 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -80.24 137.74 36.69 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.446 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -70.6 133.12 46.42 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -63.6 -42.26 98.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.257 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 38.1 t -74.57 86.56 2.1 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.459 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -78.15 124.03 27.58 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.817 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.8 t -67.37 -46.68 72.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.525 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -153.11 155.31 36.53 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 123.986 0.804 . . . . 0.0 110.313 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -109.37 5.58 23.63 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 124.631 1.207 . . . . 0.0 110.155 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.78 -31.81 72.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.887 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 61.7 m -102.59 168.09 9.5 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 124.068 0.855 . . . . 0.0 111.637 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 84.9 p -59.1 -13.26 6.45 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.13 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t70 74.17 -8.15 1.5 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.225 1.01 . . . . 0.0 111.922 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.17 -48.93 76.29 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.4 t -93.43 127.57 39.11 Favored 'General case' 0 C--N 1.341 0.23 0 O-C-N 124.484 1.115 . . . . 0.0 108.653 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -72.74 -39.28 67.01 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -177.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.87 -25.75 59.19 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -177.625 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.4 m -61.92 -26.18 68.02 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.817 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -54.67 -35.02 63.12 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.804 0.69 . . . . 0.0 111.176 -178.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -91.52 -54.24 3.98 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.992 0.807 . . . . 0.0 111.317 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -144.38 118.11 9.25 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 124.086 0.866 . . . . 0.0 110.123 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.9 mmtt -49.2 143.75 5.78 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 124.139 0.9 . . . . 0.0 112.809 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.46 24.65 6.67 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 124.789 1.305 . . . . 0.0 110.567 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.7 mt -67.61 6.43 0.64 Allowed 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.81 -40.48 95.29 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.602 -0.686 . . . . 0.0 110.446 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.4 pt -71.2 -66.46 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 O-C-N 123.548 0.53 . . . . 0.0 111.402 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -72.43 125.41 27.34 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 118.726 0.694 . . . . 0.0 110.452 177.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 . . . . . 0 N--CA 1.462 0.13 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.552 179.694 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 0.072 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -65.6 -49.06 70.13 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.67 -27.01 15.5 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -177.363 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.9 mt -114.6 118.22 57.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 O-C-N 124.359 1.037 . . . . 0.0 109.768 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.8 t -74.45 148.14 41.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.245 -0.889 . . . . 0.0 108.984 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.36 -10.51 59.46 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.3 mm -117.37 -72.88 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 O-C-N 124.714 1.259 . . . . 0.0 112.12 -177.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.82 -21.82 62.41 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -176.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.47 -15.61 61.94 Favored Glycine 0 CA--C 1.529 0.964 0 CA-C-O 118.466 -1.186 . . . . 0.0 113.547 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.7 p-10 -163.83 24.88 0.08 Allowed 'General case' 0 N--CA 1.485 1.286 0 CA-C-N 119.407 1.604 . . . . 0.0 113.963 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.5 -13.26 32.48 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 118.506 0.594 . . . . 0.0 111.503 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.68 64.12 3.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.204 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -157.12 -32.63 0.08 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.237 -1.347 . . . . 0.0 110.341 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -159.25 -83.01 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.182 0.301 . . . . 0.0 111.354 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -74.46 139.11 43.7 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -130.13 34.79 4.18 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 124.668 1.23 . . . . 0.0 108.188 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -82.78 -32.51 27.69 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.964 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.1 p -79.63 -6.53 57.29 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.421 0.451 . . . . 0.0 111.022 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -66.5 -18.36 65.32 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.624 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 57.4 mtp -80.64 133.76 35.78 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.682 0.614 . . . . 0.0 109.842 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -79.86 96.12 6.25 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.58 0.55 . . . . 0.0 110.605 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.4 mt -126.23 101.17 6.63 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 124.45 1.094 . . . . 0.0 109.889 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.4 p -69.99 -32.95 71.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.272 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -60.69 -44.69 96.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.218 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.7 m -61.22 127.77 33.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.212 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -81.17 169.03 17.89 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.463 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -64.41 99.95 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.238 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -87.3 16.94 4.74 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 123.737 0.648 . . . . 0.0 110.635 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -80.44 141.43 35.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.009 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -127.98 146.02 50.79 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 124.51 1.131 . . . . 0.0 109.856 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -73.49 102.17 3.74 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.658 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -77.13 135.55 38.57 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.136 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -69.76 130.0 41.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.229 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.6 p -78.95 164.09 24.69 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.191 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -159.87 -58.09 0.06 Allowed 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -92.54 -6.65 49.23 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 123.766 0.666 . . . . 0.0 111.175 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 49.58 93.02 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 O-C-N 124.024 0.828 . . . . 0.0 111.657 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.9 p -60.68 -170.07 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.391 0.615 . . . . 0.0 112.41 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.7 m -159.14 17.15 0.18 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.744 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -132.18 13.77 4.67 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 124.074 0.859 . . . . 0.0 111.256 -179.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 61.86 10.49 3.54 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.251 1.02 . . . . 0.0 111.528 178.435 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.3 t -85.28 117.91 24.5 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 114.488 -1.233 . . . . 0.0 108.65 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -67.29 -33.69 75.82 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -176.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -79.55 -24.14 42.33 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -177.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -61.69 -22.62 65.49 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.848 0.356 . . . . 0.0 110.686 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.2 -37.41 77.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.841 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -86.88 -54.48 4.33 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 123.796 0.685 . . . . 0.0 111.193 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -141.1 117.02 10.45 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 124.212 0.945 . . . . 0.0 109.71 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -52.98 138.97 29.04 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 123.982 0.802 . . . . 0.0 111.729 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.62 33.58 5.2 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 124.88 1.363 . . . . 0.0 110.411 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.2 mt -70.17 1.71 4.46 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.73 -0.606 . . . . 0.0 111.537 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.66 -49.3 69.13 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 121.892 -0.505 . . . . 0.0 110.795 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.0 pt -61.8 -47.39 93.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 C-N-CA 120.328 -0.549 . . . . 0.0 112.137 -178.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -63.55 129.68 41.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 118.178 0.444 . . . . 0.0 109.946 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 86.2 t60 . . . . . 0 N--CA 1.463 0.213 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.104 -179.75 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.348 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.04 -54.77 29.01 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -51.6 -25.64 7.31 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -177.604 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.6 mm -104.66 113.53 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 O-C-N 124.195 0.934 . . . . 0.0 109.704 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.5 t -75.93 150.88 37.44 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.84 -13.52 59.76 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 111.326 0.121 . . . . 0.0 111.326 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.0 mt -114.48 -78.95 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 O-C-N 124.778 1.299 . . . . 0.0 110.255 -178.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.66 -11.77 39.07 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -176.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.99 -21.27 6.96 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 118.525 -1.153 . . . . 0.0 112.83 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -165.66 20.48 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -178.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -94.59 4.02 54.37 Favored 'General case' 0 N--CA 1.5 2.067 0 CA-C-N 118.881 0.764 . . . . 0.0 111.403 176.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.09 64.41 2.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.987 0.899 . . . . 0.0 109.031 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -176.8 -29.39 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.425 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -86.25 -147.79 0.13 Allowed 'General case' 0 N--CA 1.473 0.688 0 O-C-N 123.735 0.647 . . . . 0.0 111.846 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -78.73 -1.19 33.41 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 53.69 47.85 22.86 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 123.525 0.516 . . . . 0.0 111.055 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -88.75 -34.59 17.08 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.582 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 45.1 p -79.31 -9.73 59.65 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.428 0.455 . . . . 0.0 110.498 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.97 -27.84 69.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.464 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.8 mtm -81.05 149.57 29.19 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.853 0.72 . . . . 0.0 109.87 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -79.3 109.08 13.31 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.703 0.627 . . . . 0.0 111.367 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.9 mt -78.2 147.2 34.57 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.624 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.3 m -62.81 -45.24 93.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.283 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -151.51 158.58 43.79 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.894 0.746 . . . . 0.0 109.891 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 29.3 p -139.93 160.78 39.14 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 124.33 1.019 . . . . 0.0 109.842 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -79.76 117.58 20.78 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.662 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.9 mtm-85 -64.23 -39.24 93.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.064 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -76.29 109.75 10.24 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.612 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -80.22 137.19 36.62 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.409 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -74.89 143.07 43.98 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.191 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -76.12 79.09 2.94 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.745 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 81.0 m -81.54 146.67 30.04 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.72 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -71.38 162.94 28.63 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.412 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.6 t -163.81 103.94 0.91 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.202 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -83.23 -6.53 59.51 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.731 0.644 . . . . 0.0 110.766 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 51.07 48.84 22.35 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 123.925 0.766 . . . . 0.0 110.796 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.21 -47.74 83.11 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.008 -178.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 25.0 t -160.22 155.32 24.75 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.8 p 36.92 66.63 0.4 Allowed 'General case' 0 C--N 1.348 0.503 0 O-C-N 125.29 1.619 . . . . 0.0 111.639 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -51.93 -25.81 8.97 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 114.821 -1.082 . . . . 0.0 111.418 -177.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.2 mt -63.79 -40.83 97.6 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.9 t -86.6 111.36 20.55 Favored 'General case' 0 C--N 1.348 0.513 0 N-CA-C 108.507 -0.924 . . . . 0.0 108.507 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -68.58 -32.58 72.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.879 -0.6 . . . . 0.0 112.355 -177.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -74.42 -28.28 61.0 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -177.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.37 -28.49 68.24 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.351 0.596 . . . . 0.0 110.147 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.72 -37.81 85.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.055 -178.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -91.05 -53.78 4.23 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.662 0.601 . . . . 0.0 112.023 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -131.29 114.86 15.54 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 124.591 1.182 . . . . 0.0 109.695 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -58.17 130.14 45.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.14 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.51 11.12 15.84 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 125.233 1.583 . . . . 0.0 111.186 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.4 mt -53.34 -3.2 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -177.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.46 -46.24 89.41 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 121.569 -0.707 . . . . 0.0 110.586 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 pt -60.39 -86.32 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.295 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -70.79 125.38 26.68 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.647 0.26 . . . . 0.0 110.641 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 80.9 m80 . . . . . 0 N--CA 1.462 0.172 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.61 179.81 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.288 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.93 -50.14 67.62 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.73 -24.29 2.24 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.9 mm -106.91 114.54 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 O-C-N 123.937 0.773 . . . . 0.0 110.421 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.8 t -74.93 151.02 38.91 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.48 -15.7 59.83 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 111.295 0.109 . . . . 0.0 111.295 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.1 mt -115.11 -77.91 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 O-C-N 124.743 1.277 . . . . 0.0 110.722 -178.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.41 -11.93 26.93 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -176.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.4 -18.37 8.57 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-O 118.135 -1.37 . . . . 0.0 113.203 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -166.19 18.24 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 119.456 1.628 . . . . 0.0 115.195 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -93.62 6.13 49.29 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-N 118.696 0.68 . . . . 0.0 111.304 177.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.16 64.11 4.88 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.688 0.756 . . . . 0.0 109.08 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -173.4 -11.73 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.242 178.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -147.78 -136.75 0.08 Allowed 'General case' 0 CA--C 1.546 0.818 0 O-C-N 123.373 0.421 . . . . 0.0 111.481 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -59.96 131.97 52.5 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 117.543 0.156 . . . . 0.0 110.714 -178.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -99.48 42.86 1.08 Allowed 'General case' 0 N--CA 1.465 0.296 0 O-C-N 124.535 1.147 . . . . 0.0 109.481 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -79.57 -34.83 40.56 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.248 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.7 p -79.06 -13.46 59.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.786 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -65.76 -34.34 77.96 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.221 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 36.0 mmm -75.42 145.19 41.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.272 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -68.68 140.85 55.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.627 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.7 mt -126.0 146.56 49.83 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 124.654 1.221 . . . . 0.0 109.272 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.3 p -79.93 2.65 22.64 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.598 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -151.85 158.35 43.13 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.915 0.759 . . . . 0.0 109.585 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.9 p -139.56 161.53 37.27 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 124.311 1.007 . . . . 0.0 110.151 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -65.94 137.86 57.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.405 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -64.17 -39.09 93.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.187 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -79.93 107.33 12.63 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.588 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -62.8 -46.22 89.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.756 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -73.88 141.57 46.06 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.31 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -74.06 150.27 40.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.485 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.4 t -73.09 121.85 20.87 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.382 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -77.04 97.28 4.63 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.013 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.6 p -64.47 -44.32 91.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -147.16 150.66 35.38 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 124.03 0.831 . . . . 0.0 109.527 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -79.15 45.54 0.64 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -71.05 -109.8 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 t -152.09 -158.72 0.93 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 t 38.93 48.06 1.33 Allowed 'General case' 0 C--N 1.352 0.689 0 O-C-N 124.427 1.079 . . . . 0.0 111.526 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -47.67 -29.57 3.1 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 114.196 -1.365 . . . . 0.0 111.331 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.5 mt -61.63 -46.43 89.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.415 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 19.7 t -93.33 112.45 24.38 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -70.69 -36.15 73.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.102 -178.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -71.28 -27.55 63.51 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -177.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.2 m -59.5 -25.12 64.2 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.682 0.277 . . . . 0.0 110.886 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -55.79 -43.45 76.85 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.35 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -79.36 -53.55 6.81 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.2 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -140.4 114.91 9.39 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 124.387 1.054 . . . . 0.0 109.238 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -53.02 137.93 31.85 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 124.219 0.949 . . . . 0.0 110.684 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.89 14.69 12.48 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 124.989 1.431 . . . . 0.0 110.283 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.1 mt -57.04 -3.63 0.14 Allowed 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -178.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.8 -43.28 99.22 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.816 -0.552 . . . . 0.0 111.209 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.92 -54.79 29.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.779 -178.635 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -56.12 -42.37 76.78 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 118.022 0.374 . . . . 0.0 110.658 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 49.2 m80 . . . . . 0 N--CA 1.462 0.152 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.232 179.232 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 0.147 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -68.76 -50.35 51.2 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -48.86 -27.85 3.34 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.18 0.925 . . . . 0.0 113.448 -178.527 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.5 mt -110.1 112.92 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 O-C-N 124.593 1.183 . . . . 0.0 109.566 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.4 t -69.29 148.54 49.61 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 177.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.85 -12.68 60.21 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.404 0.149 . . . . 0.0 111.404 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.6 mm -116.4 -77.6 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 124.94 1.4 . . . . 0.0 111.38 -178.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -66.3 -9.66 34.97 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -176.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.2 -20.84 5.45 Favored Glycine 0 CA--C 1.521 0.457 0 CA-C-O 118.377 -1.235 . . . . 0.0 113.526 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -167.05 16.74 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 119.458 1.629 . . . . 0.0 114.413 -179.379 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.498 HD22 ' N ' ' A' ' 26' ' ' ASN . 1.1 m-80 -93.48 7.09 45.92 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 118.225 0.466 . . . . 0.0 110.265 177.368 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.26 -61.65 1.97 Allowed 'General case' 0 C--O 1.233 0.214 0 O-C-N 124.724 1.265 . . . . 0.0 108.808 -179.146 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.84 -45.89 80.54 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.415 178.703 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.09 -175.31 1.14 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.096 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -55.84 138.4 48.32 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.866 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -88.46 40.94 0.99 Allowed 'General case' 0 C--N 1.344 0.344 0 O-C-N 124.034 0.834 . . . . 0.0 110.291 -178.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -82.75 -33.92 27.29 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.173 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.8 p -79.5 -10.71 59.85 Favored 'General case' 0 C--O 1.225 -0.188 0 O-C-N 123.595 0.559 . . . . 0.0 110.761 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.52 -36.64 83.19 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.428 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 63.5 mtt -69.04 -43.0 75.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.752 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -81.23 142.16 33.44 Favored 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.599 0.562 . . . . 0.0 110.84 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.0 mt -93.59 17.37 11.8 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 123.975 0.797 . . . . 0.0 109.736 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.8 p -82.7 163.9 21.04 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.798 0.686 . . . . 0.0 110.439 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -78.44 147.73 33.88 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.331 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.9 m -59.88 127.01 29.8 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.495 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -84.33 119.44 25.09 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.766 0.666 . . . . 0.0 110.802 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -68.89 140.37 55.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.116 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -69.02 137.71 53.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.935 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -62.07 -49.08 77.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.876 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -67.03 131.62 46.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.865 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -150.1 2.75 0.51 Allowed 'General case' 0 N--CA 1.471 0.594 0 O-C-N 123.915 0.759 . . . . 0.0 110.192 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.0 m -61.56 -46.36 90.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 62.8 tt0 -77.41 138.42 39.27 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.77 106.01 0.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.56 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -77.36 -49.71 14.34 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.095 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -163.7 104.28 0.93 Allowed 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.378 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -74.77 67.74 1.64 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.605 0.717 . . . . 0.0 109.483 179.147 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 13.3 m -70.56 -72.54 0.2 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.515 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 75.8 m -94.34 76.11 3.92 Favored 'General case' 0 C--N 1.342 0.282 0 O-C-N 124.128 0.893 . . . . 0.0 110.685 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -49.13 -27.38 3.42 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 115.025 -0.988 . . . . 0.0 111.708 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 32.0 mt -65.11 -43.99 90.25 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 10.9 t -92.49 112.44 24.39 Favored 'General case' 0 C--N 1.348 0.501 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -68.14 -31.38 70.92 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.413 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -75.12 -29.05 60.44 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.073 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.8 -23.91 65.4 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-O 120.672 0.273 . . . . 0.0 110.802 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -57.43 -35.44 70.09 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.873 -178.064 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -93.57 -52.86 4.29 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.023 0.827 . . . . 0.0 111.521 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -137.78 117.3 12.92 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 124.427 1.079 . . . . 0.0 109.998 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.5 mmtt -54.68 137.78 43.22 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.273 0.983 . . . . 0.0 111.183 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.16 22.12 8.72 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 124.943 1.402 . . . . 0.0 110.489 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.6 mt -62.38 1.17 0.37 Allowed 'General case' 0 N--CA 1.481 1.08 0 O-C-N 121.229 -0.92 . . . . 0.0 113.194 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.48 -45.4 69.06 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 121.7 -0.625 . . . . 0.0 110.974 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.3 pt -62.29 -42.83 96.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 120.479 -0.488 . . . . 0.0 111.657 -178.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -58.21 -46.11 86.43 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 117.703 0.229 . . . . 0.0 110.609 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 . . . . . 0 N--CA 1.464 0.247 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.591 179.403 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.515 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -80.11 -50.43 10.33 Favored 'General case' 0 C--O 1.223 -0.3 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.43 -51.18 69.79 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -178.456 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.9 mt -99.69 110.37 26.71 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.45 0 O-C-N 123.998 0.811 . . . . 0.0 109.643 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.3 t -73.24 143.38 47.12 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 177.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.46 -14.63 61.39 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -177.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.8 mt -114.49 -71.08 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 O-C-N 124.67 1.231 . . . . 0.0 111.923 -176.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -80.52 -19.74 45.11 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 -175.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.77 -10.11 20.18 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-O 118.57 -1.128 . . . . 0.0 113.317 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -155.16 15.88 0.41 Allowed 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 -177.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.28 -39.41 20.87 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.873 -0.517 . . . . 0.0 109.771 176.281 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.26 -29.58 63.94 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.117 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -65.26 -35.4 80.92 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.365 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -128.28 -113.02 0.27 Allowed 'General case' 0 CA--C 1.552 1.055 0 O-C-N 124.279 0.987 . . . . 0.0 112.012 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -88.92 167.94 12.8 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 123.224 0.61 . . . . 0.0 111.349 -178.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -122.9 66.12 0.97 Allowed 'General case' 0 C--N 1.349 0.568 0 O-C-N 124.368 1.043 . . . . 0.0 110.48 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -102.95 -36.49 8.18 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 124.544 1.152 . . . . 0.0 111.54 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.9 p -84.43 -6.25 59.36 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 123.781 0.675 . . . . 0.0 110.334 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.24 -32.02 72.66 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.978 0.418 . . . . 0.0 110.464 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.4 mmm -64.03 -41.31 97.46 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.619 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -82.2 113.28 19.92 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 123.653 0.596 . . . . 0.0 111.273 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.7 mt -85.83 130.65 34.49 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.238 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.1 t -156.46 155.22 31.68 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.624 0.577 . . . . 0.0 110.5 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -158.78 118.14 3.08 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.568 0.543 . . . . 0.0 110.212 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.1 t -157.54 153.08 26.38 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.434 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -80.94 120.41 24.71 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.607 0.567 . . . . 0.0 109.693 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -72.41 137.53 46.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.794 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -71.2 141.39 50.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.882 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -62.23 -43.38 98.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.237 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -67.13 134.94 52.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.709 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -151.6 149.85 29.63 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 124.004 0.815 . . . . 0.0 110.139 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 91.9 m -64.27 -39.27 93.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.396 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -131.96 141.52 49.33 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 124.244 0.965 . . . . 0.0 110.227 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.6 p -163.96 155.33 16.26 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.232 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -140.12 142.22 36.05 Favored 'General case' 0 C--N 1.343 0.284 0 O-C-N 124.184 0.927 . . . . 0.0 108.922 179.133 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -100.13 -1.77 35.83 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 124.195 0.934 . . . . 0.0 109.892 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.36 -40.48 96.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.553 -178.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 47.4 m -108.68 172.5 6.81 Favored 'General case' 0 C--N 1.345 0.403 0 O-C-N 124.193 0.933 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.7 p -55.04 -21.51 12.58 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.612 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 t0 73.38 -7.61 1.5 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.218 1.007 . . . . 0.0 111.28 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.0 mt -66.27 -44.6 83.15 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 t -90.8 133.47 35.18 Favored 'General case' 0 C--N 1.347 0.462 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 178.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -76.19 -39.14 55.48 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -176.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -79.28 -20.06 48.99 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -177.183 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.6 m -68.86 -27.32 65.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.384 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -50.58 -37.81 41.97 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.977 0.798 . . . . 0.0 111.91 -177.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -91.3 -53.5 4.32 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.994 0.809 . . . . 0.0 111.506 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -142.44 116.11 9.18 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 124.233 0.958 . . . . 0.0 110.155 -178.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -46.89 144.93 2.21 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 124.321 1.013 . . . . 0.0 112.594 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.03 22.15 9.62 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 124.718 1.261 . . . . 0.0 110.433 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.79 8.03 0.1 Allowed 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.12 -38.22 90.28 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 121.308 -0.87 . . . . 0.0 110.399 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.82 -71.03 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 O-C-N 123.457 0.473 . . . . 0.0 111.542 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -74.94 123.05 24.42 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.048 0.452 . . . . 0.0 111.011 178.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 . . . . . 0 N--CA 1.462 0.169 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.043 179.894 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.335 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -65.58 -50.64 64.36 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -48.22 -25.06 1.36 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -178.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.7 mt -107.13 112.53 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 124.158 0.911 . . . . 0.0 109.167 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.6 t -72.6 151.87 42.1 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.79 -14.41 59.59 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 122.41 -0.181 . . . . 0.0 111.262 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.0 mt -114.71 -78.23 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 O-C-N 124.852 1.345 . . . . 0.0 110.213 -178.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.39 -10.16 15.63 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -176.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.46 -18.69 5.35 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-O 118.247 -1.307 . . . . 0.0 112.841 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -165.78 18.92 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.486 HD22 ' N ' ' A' ' 26' ' ' ASN . 1.4 m-80 -93.93 3.3 55.57 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-N 119.282 0.946 . . . . 0.0 112.016 177.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.94 64.72 2.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.924 0.869 . . . . 0.0 109.584 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -174.86 -16.94 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.111 -0.949 . . . . 0.0 111.037 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -132.6 -143.94 0.23 Allowed 'General case' 0 N--CA 1.478 0.953 0 O-C-N 124.177 0.923 . . . . 0.0 110.932 -178.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -65.16 138.08 58.04 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -96.92 45.15 1.05 Allowed 'General case' 0 CA--C 1.532 0.268 0 O-C-N 124.479 1.112 . . . . 0.0 109.902 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -83.04 -33.55 26.45 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.295 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.5 p -78.9 -15.3 58.51 Favored 'General case' 0 CA--C 1.517 -0.309 0 O-C-N 123.52 0.513 . . . . 0.0 110.323 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -64.52 -40.0 94.81 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.343 -0.543 . . . . 0.0 109.858 -179.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 47.1 mtp -66.98 -41.41 86.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.653 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -74.91 136.47 41.43 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.272 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.5 mt -79.69 144.05 34.04 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.425 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.6 p -77.61 163.97 25.76 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.215 0.322 . . . . 0.0 110.418 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -81.46 142.03 33.32 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.675 0.609 . . . . 0.0 110.968 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.7 p -66.45 -34.13 77.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.129 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -72.81 156.63 38.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.618 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -64.95 133.55 52.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.06 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -72.96 143.28 47.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -76.1 140.36 41.8 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.477 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -70.38 136.74 49.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.901 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -73.48 130.09 39.37 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.002 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 94.8 m -66.92 -39.23 87.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.759 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -66.67 139.49 57.86 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.3 p -163.91 160.86 22.55 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -140.97 145.0 35.42 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 124.273 0.983 . . . . 0.0 110.134 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -73.12 -6.92 48.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.862 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -57.51 -72.07 0.09 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.478 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 13.8 t -96.76 -125.93 0.14 Allowed 'General case' 0 N--CA 1.475 0.811 0 O-C-N 123.994 0.809 . . . . 0.0 110.63 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 92.6 p -126.1 -123.8 0.24 Allowed 'General case' 0 C--N 1.35 0.628 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -146.64 -9.88 0.47 Allowed 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.364 0.415 . . . . 0.0 111.242 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.3 mt -64.6 -54.39 32.81 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.3 t -94.44 110.56 22.33 Favored 'General case' 0 C--N 1.342 0.277 0 O-C-N 123.903 0.752 . . . . 0.0 109.295 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -69.99 -32.01 69.99 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -75.05 -25.95 59.04 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -177.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.2 m -60.47 -28.12 68.08 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.65 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -59.2 -40.45 85.81 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.702 -178.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -84.6 -53.07 5.65 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 123.672 0.608 . . . . 0.0 111.544 -179.002 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -136.72 115.75 12.39 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 124.511 1.132 . . . . 0.0 109.548 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -54.83 134.63 48.11 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.83 0.706 . . . . 0.0 111.392 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.72 10.8 10.37 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 124.88 1.362 . . . . 0.0 110.509 179.195 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.2 mt -56.63 -2.22 0.07 Allowed 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -177.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.25 -41.64 94.1 Favored 'General case' 0 C--O 1.232 0.158 0 O-C-N 121.402 -0.812 . . . . 0.0 111.371 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -58.38 -57.77 9.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -178.539 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -56.28 -41.93 76.66 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 117.923 0.329 . . . . 0.0 111.232 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 54.5 m80 . . . . . 0 N--CA 1.464 0.242 0 CA-C-O 120.83 0.348 . . . . 0.0 110.511 179.455 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.252 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -65.59 -50.39 65.29 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.15 -24.55 0.46 Allowed 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -179.041 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.9 mt -106.65 113.79 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 O-C-N 124.28 0.988 . . . . 0.0 109.675 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.0 t -73.0 153.07 41.07 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 177.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.4 -15.83 58.26 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.828 -0.169 . . . . 0.0 111.101 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.1 mt -114.45 -79.03 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 124.752 1.282 . . . . 0.0 109.694 -178.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.07 -8.41 5.35 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -177.047 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.65 -19.62 3.95 Favored Glycine 0 CA--C 1.524 0.638 0 CA-C-O 118.541 -1.144 . . . . 0.0 113.161 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -166.53 17.15 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 115.389 1.625 . . . . 0.0 115.389 -178.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.499 HD22 ' N ' ' A' ' 26' ' ' ASN . 1.1 m-80 -94.1 11.31 30.37 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 118.947 0.794 . . . . 0.0 111.285 177.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.87 63.51 6.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.231 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -178.18 -12.26 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.09 178.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -134.56 -153.58 0.53 Allowed 'General case' 0 N--CA 1.477 0.917 0 O-C-N 123.813 0.696 . . . . 0.0 111.519 -178.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -56.99 123.07 13.89 Favored 'General case' 0 C--N 1.342 0.251 0 C-N-CA 122.445 0.298 . . . . 0.0 111.306 -178.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -83.88 46.71 1.21 Allowed 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.69 0.619 . . . . 0.0 110.454 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -85.56 -32.76 21.96 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.35 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.9 p -79.27 -14.59 58.93 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.292 -179.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -64.9 -36.86 85.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.337 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 44.6 mtp -65.48 -41.91 92.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.785 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -167.24 150.92 6.53 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.737 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.9 mt -86.25 17.72 3.54 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 123.73 0.644 . . . . 0.0 110.21 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.0 p -68.27 -42.59 79.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.596 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -82.52 135.06 35.19 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.779 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.0 p -119.29 132.43 55.9 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 124.416 1.073 . . . . 0.0 109.725 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -85.09 109.24 18.1 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.837 0.71 . . . . 0.0 110.653 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -78.55 134.71 37.22 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.617 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -76.26 141.74 41.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.87 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -76.6 108.6 9.71 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.347 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -79.61 -0.69 34.78 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.575 0.547 . . . . 0.0 109.879 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -61.99 -43.58 98.54 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.128 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -165.42 141.72 5.43 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.293 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -125.52 119.07 27.19 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 124.452 1.095 . . . . 0.0 110.256 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.3 m -62.0 -41.31 97.92 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.658 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -148.08 156.47 42.65 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 124.232 0.958 . . . . 0.0 109.454 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -87.25 78.93 8.7 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 124.013 0.821 . . . . 0.0 110.47 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 50.49 99.03 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 O-C-N 124.282 0.989 . . . . 0.0 110.899 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 18.3 m -84.11 -78.37 0.24 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.745 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.1 m -57.96 -41.01 81.97 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.496 -178.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 71.31 49.41 0.32 Allowed 'General case' 0 N--CA 1.468 0.471 0 O-C-N 125.104 1.503 . . . . 0.0 112.151 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 pp -165.24 -39.79 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.671 178.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 11.3 t -94.64 133.75 37.95 Favored 'General case' 0 C--N 1.346 0.418 0 O-C-N 124.462 1.101 . . . . 0.0 108.701 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -79.49 -43.85 22.39 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -177.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -74.8 -22.89 58.49 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -177.393 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.6 m -61.49 -20.54 63.3 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.924 0.393 . . . . 0.0 110.812 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -59.19 -41.86 89.51 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -178.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -92.5 -49.14 6.28 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.985 0.803 . . . . 0.0 111.693 -178.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -138.36 120.59 15.79 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 124.59 1.181 . . . . 0.0 109.721 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -56.91 138.97 53.09 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 124.026 0.829 . . . . 0.0 110.711 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.44 12.14 11.56 Favored 'General case' 0 C--O 1.212 -0.913 0 O-C-N 125.062 1.476 . . . . 0.0 110.645 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.0 mp -55.53 -3.84 0.08 Allowed 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 -177.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.6 -41.32 98.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.474 -0.766 . . . . 0.0 111.012 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.91 -55.31 24.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.594 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -56.73 -41.64 77.85 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 117.992 0.36 . . . . 0.0 110.902 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 . . . . . 0 N--CA 1.462 0.169 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.633 179.669 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.385 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.23 -53.36 50.43 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -49.65 -25.5 2.91 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -178.057 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.5 mt -107.96 114.51 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 O-C-N 124.32 1.012 . . . . 0.0 109.532 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.1 t -73.49 151.3 41.09 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.81 -14.54 59.55 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 111.244 0.09 . . . . 0.0 111.244 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.3 mt -114.95 -78.53 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 O-C-N 124.72 1.262 . . . . 0.0 110.099 -178.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.15 -9.32 10.47 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.73 -19.29 5.14 Favored Glycine 0 CA--C 1.527 0.801 0 CA-C-O 118.205 -1.331 . . . . 0.0 113.063 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -165.98 18.27 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 115.61 1.708 . . . . 0.0 115.61 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -94.54 9.41 38.69 Favored 'General case' 0 N--CA 1.503 2.201 0 CA-C-N 119.489 1.04 . . . . 0.0 112.084 178.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.26 66.18 9.42 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.39 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -140.29 -41.01 0.42 Allowed 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 114.673 -1.149 . . . . 0.0 109.751 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -158.62 -68.78 0.09 Allowed 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -79.41 140.46 37.41 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -178.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -125.0 42.99 3.15 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 124.702 1.251 . . . . 0.0 109.607 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -80.48 -36.12 33.86 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.698 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.6 p -79.67 -12.61 59.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.948 -178.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -65.43 -35.9 82.32 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.282 -179.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 47.9 mtm -67.12 -41.97 85.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.539 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -164.77 137.96 4.82 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.6 mt -73.05 147.07 45.38 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 m -78.23 125.49 29.43 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.557 0.536 . . . . 0.0 110.262 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -63.1 -48.83 76.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 m -73.66 131.51 41.73 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.183 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -144.29 17.64 1.71 Allowed 'General case' 0 N--CA 1.474 0.74 0 O-C-N 123.919 0.762 . . . . 0.0 109.974 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -69.53 -40.29 77.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.972 179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -71.0 149.12 46.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.523 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -70.58 143.58 51.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.776 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.71 -41.61 99.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.351 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -156.95 105.88 2.2 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.587 0.555 . . . . 0.0 110.471 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 94.0 m -65.72 -40.49 92.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.676 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -70.13 150.11 46.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.189 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.7 p -160.77 162.1 32.31 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.546 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -154.74 -39.32 0.09 Allowed 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.85 0.719 . . . . 0.0 109.935 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -148.1 90.32 1.81 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 124.092 0.87 . . . . 0.0 110.309 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -77.68 62.36 2.56 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.761 0.791 . . . . 0.0 109.792 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 6.3 m -69.82 -68.63 0.4 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.833 -179.005 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.0 m -99.94 81.36 2.42 Favored 'General case' 0 CA--C 1.512 -0.509 0 O-C-N 124.253 0.971 . . . . 0.0 110.718 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -53.51 -26.46 20.93 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.3 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.1 mt -63.45 -44.9 93.17 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 9.8 t -92.54 115.99 28.6 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 124.061 0.85 . . . . 0.0 109.362 178.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -66.8 -37.24 84.15 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -177.18 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -73.7 -27.46 61.22 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -178.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.5 m -62.38 -17.27 58.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.728 0.299 . . . . 0.0 111.248 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -61.31 -42.29 98.42 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -178.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -112.23 -42.83 3.64 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.184 0.927 . . . . 0.0 112.433 -178.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -115.78 108.09 15.89 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 124.308 1.005 . . . . 0.0 110.282 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -64.37 131.93 48.64 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.544 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.27 10.33 14.78 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 125.208 1.567 . . . . 0.0 110.715 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.3 mt -54.71 -2.45 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -177.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.95 -46.31 85.26 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.413 -0.804 . . . . 0.0 110.705 179.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.2 pt -61.33 -85.2 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.601 -178.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -68.78 129.78 40.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.754 0.312 . . . . 0.0 110.946 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 . . . . . 0 N--CA 1.462 0.145 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.653 179.876 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.602 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -74.67 -51.56 14.04 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -60.55 -49.27 78.23 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.36 -178.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.5 mp -104.06 124.77 58.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.661 0 O-C-N 124.038 0.836 . . . . 0.0 110.021 -178.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.7 t -78.87 147.79 33.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.668 -1.151 . . . . 0.0 108.718 178.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.93 -11.01 60.42 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.6 mt -118.0 -76.02 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 O-C-N 124.525 1.141 . . . . 0.0 111.579 -177.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -67.86 -29.86 69.09 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.699 -176.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.64 -19.52 44.17 Favored Glycine 0 CA--C 1.523 0.539 0 O-C-N 124.508 1.13 . . . . 0.0 111.924 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -145.51 16.88 1.48 Allowed 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 116.337 1.977 . . . . 0.0 116.337 -175.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -91.21 -33.17 15.5 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 119.293 0.951 . . . . 0.0 112.615 178.651 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.31 -30.38 50.88 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 123.418 0.449 . . . . 0.0 110.485 -177.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -70.74 -36.78 73.31 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.346 178.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -117.13 -134.83 0.34 Allowed 'General case' 0 N--CA 1.484 1.235 0 O-C-N 124.357 1.035 . . . . 0.0 111.461 -178.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -72.95 176.78 5.4 Favored 'General case' 0 C--N 1.348 0.5 0 CA-C-O 119.146 -0.454 . . . . 0.0 110.324 -179.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -127.28 42.13 3.38 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 124.185 0.928 . . . . 0.0 110.552 -178.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -84.12 -34.34 24.12 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.255 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.1 p -81.67 -4.24 55.69 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.405 0.441 . . . . 0.0 110.84 -178.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -67.23 -11.3 57.06 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.715 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 39.2 mmm -69.84 156.03 39.66 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -73.62 88.25 1.68 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.126 0.488 . . . . 0.0 110.59 -179.246 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.2 mt -75.66 142.28 42.58 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.863 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.6 p -64.98 -44.91 87.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -81.12 133.17 35.42 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.521 0.513 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.7 p -65.56 -50.6 64.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.519 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -89.85 109.53 20.53 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 124.151 0.907 . . . . 0.0 110.535 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.1 ttt-85 -64.78 -45.27 87.06 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -158.75 170.35 22.34 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.609 0.568 . . . . 0.0 110.592 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -72.6 131.45 42.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.536 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -70.84 135.85 48.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.139 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -72.81 153.21 41.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.764 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.0 m -69.37 165.87 19.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.738 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -64.11 91.69 0.07 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.364 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.3 m -62.54 -40.63 97.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.748 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -149.06 153.41 37.79 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.981 0.801 . . . . 0.0 110.499 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -94.75 -2.23 51.42 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 124.345 1.028 . . . . 0.0 109.939 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -61.35 -36.46 80.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.144 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.1 t -99.88 150.5 22.32 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 124.122 0.889 . . . . 0.0 110.32 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.9 m -63.91 1.5 0.65 Allowed 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 t70 72.6 -9.36 1.08 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.457 1.103 . . . . 0.0 112.659 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.79 -51.41 59.26 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 5.1 t -93.24 130.59 38.9 Favored 'General case' 0 C--N 1.343 0.309 0 O-C-N 124.095 0.872 . . . . 0.0 109.041 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -76.7 -37.08 56.73 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -177.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -76.59 -23.5 53.47 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -177.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.6 m -67.14 -19.48 65.61 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.908 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -59.19 -36.98 76.29 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.296 -178.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -94.86 -50.37 5.16 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 124.027 0.829 . . . . 0.0 111.755 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -140.72 112.6 7.65 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 124.127 0.892 . . . . 0.0 111.107 -178.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -48.59 142.8 5.61 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 123.977 0.798 . . . . 0.0 112.654 -179.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -124.44 20.65 8.74 Favored 'General case' 0 N--CA 1.477 0.882 0 O-C-N 124.92 1.388 . . . . 0.0 110.465 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.1 mt -64.77 5.79 0.28 Allowed 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -178.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.03 -41.31 97.46 Favored 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 121.453 -0.78 . . . . 0.0 110.562 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 pt -70.38 -69.79 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 O-C-N 123.608 0.568 . . . . 0.0 111.704 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -72.09 116.99 13.16 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.123 0.42 . . . . 0.0 110.635 178.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 . . . . . 0 N--CA 1.464 0.259 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.617 179.744 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.27 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -69.96 -50.66 39.65 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -50.11 -30.8 11.81 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 114.117 1.155 . . . . 0.0 114.117 -177.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.4 mt -110.0 118.36 56.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 124.666 1.229 . . . . 0.0 109.775 -179.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.2 t -74.22 149.2 40.97 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 178.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.94 -14.72 59.83 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 111.282 0.105 . . . . 0.0 111.282 -178.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.9 mt -113.75 -77.47 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 124.935 1.397 . . . . 0.0 110.586 -178.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -65.41 -8.92 21.14 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -176.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.26 -19.54 5.53 Favored Glycine 0 CA--C 1.522 0.524 0 CA-C-O 118.192 -1.338 . . . . 0.0 113.348 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 45.9 p-10 -164.43 19.03 0.06 Allowed 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 119.75 1.775 . . . . 0.0 115.205 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -91.08 -4.1 56.59 Favored 'General case' 0 N--CA 1.502 2.139 0 CA-C-N 119.607 1.094 . . . . 0.0 112.026 178.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.89 60.0 3.96 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -153.5 -31.91 0.12 Allowed 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.911 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -136.4 -94.13 0.24 Allowed 'General case' 0 N--CA 1.472 0.655 0 O-C-N 124.226 0.954 . . . . 0.0 112.489 -178.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -88.18 166.67 14.21 Favored 'General case' 0 CA--C 1.513 -0.448 0 O-C-N 123.591 0.557 . . . . 0.0 110.479 -178.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -133.82 40.66 3.08 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 124.79 1.306 . . . . 0.0 109.049 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -80.83 -36.42 31.58 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.822 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.0 p -79.43 -10.58 59.83 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 123.622 0.576 . . . . 0.0 111.004 -178.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.38 -33.71 76.48 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.304 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 31.0 mmm -64.77 -41.57 95.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.549 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -157.73 151.49 24.02 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 123.629 0.58 . . . . 0.0 110.773 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 72.9 mt -72.82 146.05 46.56 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.3 p -137.5 169.22 18.16 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 124.629 1.205 . . . . 0.0 110.256 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -71.53 133.11 45.58 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.229 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 54.2 m -76.42 131.95 39.39 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 123.579 0.549 . . . . 0.0 110.336 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -84.3 96.23 8.96 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.79 0.681 . . . . 0.0 110.543 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -72.79 144.1 47.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.884 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -72.86 107.64 5.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.294 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -60.8 -47.36 86.71 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.911 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -130.37 140.85 50.59 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 124.602 1.188 . . . . 0.0 110.013 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -80.6 97.18 7.09 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.953 0.783 . . . . 0.0 110.38 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.3 m -70.29 -53.25 17.62 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.835 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -131.98 165.53 23.72 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 124.421 1.076 . . . . 0.0 110.251 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.2 t -161.28 85.24 0.66 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.452 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -63.3 -48.15 79.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.343 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.28 -20.53 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.072 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 48.56 70.51 0.45 Allowed 'General case' 0 C--N 1.349 0.558 0 O-C-N 124.181 0.926 . . . . 0.0 110.162 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 95.8 m -71.69 -55.72 7.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.973 -178.281 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.7 p -114.05 79.89 1.31 Allowed 'General case' 0 CA--C 1.512 -0.509 0 O-C-N 124.673 1.233 . . . . 0.0 110.429 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -55.0 -17.88 4.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.819 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 45.1 mt -63.59 -43.71 96.16 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 178.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.2 t -93.84 117.63 30.36 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 124.058 0.849 . . . . 0.0 108.89 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -64.91 -37.32 87.26 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -176.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.29 -26.94 52.82 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -178.12 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.19 -25.08 63.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.931 0.396 . . . . 0.0 111.297 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -61.41 -34.6 75.63 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.354 -178.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -97.34 -50.17 4.65 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 124.022 0.826 . . . . 0.0 111.978 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -136.14 117.81 14.98 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 124.285 0.99 . . . . 0.0 110.531 -178.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt -57.96 137.31 56.88 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.718 0.636 . . . . 0.0 111.112 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.79 16.43 9.44 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 125.285 1.615 . . . . 0.0 110.827 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.4 mt -58.21 0.24 0.07 Allowed 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -177.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.76 -43.99 74.65 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.404 -0.81 . . . . 0.0 110.879 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.3 pt -64.14 -42.72 96.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 120.643 -0.423 . . . . 0.0 112.082 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -57.45 -46.67 83.34 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 117.588 0.176 . . . . 0.0 110.74 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 74.8 m80 . . . . . 0 N--CA 1.464 0.253 0 O-C-N 123.287 0.367 . . . . 0.0 110.436 179.269 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.333 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -66.36 -51.2 59.57 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.78 -23.64 1.95 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 -178.122 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.1 mt -109.36 115.56 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 O-C-N 124.191 0.932 . . . . 0.0 109.594 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.0 t -74.53 151.61 39.46 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.94 -15.32 59.7 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 122.553 -0.092 . . . . 0.0 111.14 -178.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.6 mt -114.83 -78.39 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 O-C-N 124.812 1.32 . . . . 0.0 110.289 -178.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.9 m -63.08 -10.43 14.41 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -176.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.05 -17.64 7.1 Favored Glycine 0 CA--C 1.524 0.654 0 CA-C-O 118.342 -1.255 . . . . 0.0 113.229 179.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -166.22 17.49 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 115.459 1.652 . . . . 0.0 115.459 -179.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -95.0 9.4 39.57 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-N 119.168 0.895 . . . . 0.0 112.193 178.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.48 66.54 9.73 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.17 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -139.67 -40.09 0.46 Allowed 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.927 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -162.34 -64.71 0.05 OUTLIER 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -80.57 141.73 34.8 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -126.01 42.43 3.3 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 124.586 1.179 . . . . 0.0 109.168 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -79.97 -36.0 36.72 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.892 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.4 p -80.04 -12.44 59.69 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.873 -178.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -65.25 -33.42 75.95 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.259 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 57.7 mtp -72.15 132.14 43.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.239 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -85.04 92.46 8.36 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.865 0.728 . . . . 0.0 110.695 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.9 mt -76.24 149.14 37.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.592 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.2 p -63.88 -43.58 95.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.717 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -74.17 138.87 44.08 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.264 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.3 m -63.63 127.29 30.7 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.205 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -80.94 117.17 21.34 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.771 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -70.07 143.22 52.52 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -63.76 139.79 58.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.237 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -73.33 139.11 45.81 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.367 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -153.17 136.93 16.1 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.877 0.736 . . . . 0.0 109.649 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -152.33 137.91 17.78 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 124.04 0.837 . . . . 0.0 109.985 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 94.9 m -64.79 -36.67 85.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.692 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -62.29 142.28 57.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.991 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.2 p -161.51 162.93 30.53 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.647 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -157.7 136.09 11.14 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.0 m80 30.39 83.59 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.238 0 O-C-N 125.451 1.72 . . . . 0.0 112.159 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -75.08 67.54 1.77 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.058 0.456 . . . . 0.0 110.636 -178.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 94.2 m -79.18 -73.07 0.36 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.261 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.9 m -97.42 82.15 3.08 Favored 'General case' 0 C--N 1.347 0.496 0 O-C-N 123.81 0.694 . . . . 0.0 110.147 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -59.49 -22.3 61.37 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.75 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 25.9 mt -63.22 -47.29 83.11 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 10.7 t -93.63 114.05 26.29 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 124.063 0.852 . . . . 0.0 108.711 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -67.11 -37.26 83.59 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -177.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.61 -29.1 64.29 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -177.73 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.64 -26.35 65.44 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-O 120.908 0.385 . . . . 0.0 110.935 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -61.3 -42.05 98.01 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.56 -178.049 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -87.03 -52.08 5.64 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 123.709 0.631 . . . . 0.0 112.048 -178.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -134.99 119.56 18.11 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 124.456 1.098 . . . . 0.0 109.871 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -58.65 134.63 56.95 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.626 0.579 . . . . 0.0 110.833 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.86 8.63 12.68 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 124.977 1.423 . . . . 0.0 110.632 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.9 mt -56.46 -1.11 0.05 OUTLIER 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -177.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.89 -43.04 94.19 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.404 -0.81 . . . . 0.0 110.728 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 pt -63.27 -73.0 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.731 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -75.93 114.66 14.81 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 117.987 0.358 . . . . 0.0 110.914 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 . . . . . 0 N--CA 1.466 0.344 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.24 179.521 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.212 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.4 mptt 51.33 79.44 0.1 Allowed 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.481 0.658 . . . . 0.0 110.673 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -45.78 -26.15 0.61 Allowed 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 114.234 -1.348 . . . . 0.0 112.64 -178.65 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.8 mt -104.88 112.6 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.4 t -71.5 151.65 43.72 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.42 -15.1 59.52 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 111.236 0.087 . . . . 0.0 111.236 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.4 mt -114.48 -78.39 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 O-C-N 124.748 1.28 . . . . 0.0 110.015 -178.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.9 m -63.09 -7.91 6.58 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 -177.097 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.45 -18.92 4.14 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-O 118.078 -1.401 . . . . 0.0 112.93 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -166.2 17.91 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 116.142 1.904 . . . . 0.0 116.142 -178.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.491 HD22 ' N ' ' A' ' 26' ' ' ASN . 1.4 m-80 -94.02 11.18 30.63 Favored 'General case' 0 N--CA 1.501 2.113 0 CA-C-N 119.36 0.982 . . . . 0.0 111.973 178.358 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.9 65.24 7.52 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.951 0.881 . . . . 0.0 110.537 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -167.65 -17.57 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.098 -0.956 . . . . 0.0 112.028 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -145.49 -97.34 0.1 Allowed 'General case' 0 N--CA 1.472 0.638 0 O-C-N 123.888 0.743 . . . . 0.0 111.574 -178.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -81.59 157.61 24.67 Favored 'General case' 0 CA--C 1.515 -0.378 0 O-C-N 123.135 0.272 . . . . 0.0 110.605 -179.246 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -131.2 34.17 4.04 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 124.54 1.15 . . . . 0.0 109.169 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -82.52 -28.85 30.8 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.393 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.1 p -78.85 -14.04 59.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.843 -179.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -64.01 -42.07 97.25 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.187 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 45.1 mtp -66.81 -42.68 85.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.794 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -86.98 104.12 15.99 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.867 0.729 . . . . 0.0 110.74 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.3 mt -75.06 145.37 42.4 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.412 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.3 t -158.11 153.05 25.24 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.075 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -78.32 140.57 38.79 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.204 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.6 p -69.25 137.26 52.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.36 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -79.5 85.85 5.23 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.643 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -65.52 -42.11 92.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.36 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -71.44 142.08 50.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.577 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -72.19 139.73 48.37 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.858 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -130.79 151.03 51.67 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 124.329 1.018 . . . . 0.0 110.039 -179.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -68.92 117.98 11.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.739 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -163.67 165.81 22.91 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.39 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.81 152.46 27.07 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.01 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.2 p -161.82 164.51 28.76 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.193 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -146.92 146.59 30.19 Favored 'General case' 0 N--CA 1.461 0.114 0 O-C-N 124.104 0.878 . . . . 0.0 109.971 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -70.1 -28.56 65.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.675 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -61.75 -48.26 81.52 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -178.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 9.0 t -52.54 158.98 1.12 Allowed 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.3 m -80.53 -4.02 52.34 Favored 'General case' 0 C--O 1.227 -0.105 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.557 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 t70 67.46 52.17 0.81 Allowed 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.963 0.887 . . . . 0.0 112.829 178.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 pp -160.64 -41.58 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.069 177.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 9.3 t -93.6 114.87 27.3 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 124.223 0.952 . . . . 0.0 109.225 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -68.19 -34.85 77.05 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -177.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.24 -26.69 59.07 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -177.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.89 -27.3 68.05 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.882 0.372 . . . . 0.0 110.734 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -58.11 -44.64 87.81 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.108 -178.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -84.2 -51.0 7.38 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 123.723 0.639 . . . . 0.0 111.667 -178.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -134.39 113.06 11.49 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 124.459 1.1 . . . . 0.0 109.447 -178.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -56.33 135.37 53.78 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.615 0.572 . . . . 0.0 111.585 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -113.67 15.94 18.71 Favored 'General case' 0 C--O 1.214 -0.804 0 O-C-N 125.243 1.589 . . . . 0.0 110.385 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.7 mt -55.46 -3.23 0.06 Allowed 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -177.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.54 -48.08 78.97 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.414 -0.804 . . . . 0.0 110.555 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.3 pt -60.26 -93.06 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.554 -178.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -66.85 124.25 22.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.662 0.267 . . . . 0.0 110.97 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 79.8 m80 . . . . . 0 C--O 1.234 0.245 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.232 179.532 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.13 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt -67.67 -50.43 57.78 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -47.49 -21.67 0.36 Allowed 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -179.071 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.1 mm -108.42 111.74 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 O-C-N 123.615 0.572 . . . . 0.0 109.706 179.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.9 t -74.27 152.61 39.65 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.38 -15.94 59.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.864 -0.153 . . . . 0.0 111.171 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.0 mt -116.34 -78.65 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 O-C-N 124.784 1.303 . . . . 0.0 110.719 -177.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.3 -12.33 40.62 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -176.248 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.97 -13.43 14.02 Favored Glycine 0 CA--C 1.535 1.319 0 CA-C-O 118.227 -1.319 . . . . 0.0 113.466 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -164.38 18.83 0.06 Allowed 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -94.81 0.46 54.9 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-N 118.919 0.781 . . . . 0.0 111.474 177.156 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.71 55.21 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.816 0.817 . . . . 0.0 109.308 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -164.72 -7.28 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.194 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -154.07 -125.6 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.995 0 O-C-N 123.249 0.343 . . . . 0.0 110.989 -178.034 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -72.25 142.22 48.94 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -109.7 46.61 1.0 Allowed 'General case' 0 N--CA 1.467 0.385 0 O-C-N 124.783 1.302 . . . . 0.0 109.647 -179.003 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -81.03 -37.37 29.21 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.355 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.0 p -79.5 -11.71 59.89 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.659 0.599 . . . . 0.0 110.726 -178.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.34 -36.33 83.79 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.233 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 34.8 mmm -66.81 -40.29 88.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.523 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -84.01 114.0 21.4 Favored 'General case' 0 N--CA 1.464 0.257 0 O-C-N 123.857 0.723 . . . . 0.0 110.935 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.4 mt -74.56 155.36 37.98 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 25.1 p -134.24 153.13 52.04 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 124.38 1.05 . . . . 0.0 110.34 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -62.94 -41.76 99.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.181 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.6 p -136.01 155.87 49.59 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 124.221 0.951 . . . . 0.0 109.926 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -84.87 18.23 2.52 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.277 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 91.9 mtm180 -125.65 141.28 52.1 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 124.23 0.956 . . . . 0.0 109.618 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -69.95 147.02 50.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.316 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -60.64 -44.59 96.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.445 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -154.51 125.57 7.24 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.708 0.63 . . . . 0.0 109.9 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -90.23 92.46 8.94 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.881 0.738 . . . . 0.0 110.122 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 82.9 m -66.52 -54.84 19.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.936 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -81.18 145.82 30.81 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.662 0.601 . . . . 0.0 109.984 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.9 p -164.04 157.81 18.76 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.71 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -150.65 147.92 27.98 Favored 'General case' 0 C--N 1.344 0.357 0 O-C-N 123.851 0.719 . . . . 0.0 110.353 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -66.34 -32.93 74.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.978 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -65.36 -47.52 76.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.265 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.5 t -46.9 154.82 0.3 Allowed 'General case' 0 C--N 1.343 0.292 0 O-C-N 123.879 0.737 . . . . 0.0 112.71 -179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.5 p -74.16 -6.38 47.41 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.096 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t0 68.22 47.04 1.04 Allowed 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.445 178.603 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 pp -163.69 -40.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.063 177.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.1 t -92.46 118.31 30.83 Favored 'General case' 0 C--N 1.341 0.215 0 O-C-N 124.217 0.948 . . . . 0.0 109.699 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -69.03 -37.43 78.6 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -177.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -72.79 -27.59 62.08 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.5 m -62.53 -20.69 64.9 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 120.9 0.381 . . . . 0.0 111.008 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -59.89 -43.59 94.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.644 -177.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -90.65 -49.81 6.27 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.787 0.679 . . . . 0.0 112.253 -178.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -133.67 115.5 14.69 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 124.461 1.101 . . . . 0.0 110.24 -178.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -57.19 134.25 55.74 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.678 0.612 . . . . 0.0 111.338 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.3 13.04 17.76 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 125.078 1.486 . . . . 0.0 110.607 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.2 mt -56.1 -1.86 0.05 Allowed 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 -177.21 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.63 -43.46 96.76 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.45 -0.781 . . . . 0.0 110.626 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -59.44 -74.89 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.875 -178.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -57.16 128.8 38.82 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.887 0.375 . . . . 0.0 111.287 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 75.2 m80 . . . . . 0 C--N 1.332 -0.185 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.166 -179.545 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.0 mtm . . . . . 0 N--CA 1.492 1.648 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.19 12.15 84.36 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -44.99 44.41 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-O 118.654 -0.689 . . . . 0.0 112.267 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -61.41 148.16 93.65 Favored 'Trans proline' 0 N--CA 1.499 1.839 0 CA-C-N 121.163 1.451 . . . . 0.0 111.874 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.55 157.16 52.5 Favored Pre-proline 0 CA--C 1.552 1.051 0 CA-C-O 117.831 -1.08 . . . . 0.0 109.36 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -52.62 -40.01 74.21 Favored 'Trans proline' 0 N--CA 1.506 2.244 0 CA-C-N 121.475 1.563 . . . . 0.0 112.727 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -67.03 156.25 88.21 Favored Pre-proline 0 CA--C 1.548 0.866 0 CA-C-O 118.853 -0.594 . . . . 0.0 109.708 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -72.66 -177.95 3.12 Favored 'Trans proline' 0 N--CA 1.498 1.739 0 C-N-CA 121.494 1.463 . . . . 0.0 111.132 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.98 164.87 57.53 Favored Pre-proline 0 CA--C 1.55 0.973 0 CA-C-O 118.632 -0.699 . . . . 0.0 110.901 -178.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -57.28 -29.73 84.97 Favored 'Trans proline' 0 N--CA 1.503 2.085 0 C-N-CA 121.566 1.51 . . . . 0.0 112.189 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 75.3 mt -65.95 -44.22 85.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.588 -178.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 29.08 68.45 0.62 Allowed Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 125.305 1.628 . . . . 0.0 112.704 -178.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -56.94 142.3 93.54 Favored 'Trans proline' 0 N--CA 1.501 1.923 0 C-N-CA 121.351 1.367 . . . . 0.0 112.673 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.2 mtm-85 -64.94 -38.33 90.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.743 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.79 163.54 53.57 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -168.38 152.29 20.15 Favored Glycine 0 N--CA 1.459 0.227 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -67.04 -45.37 77.64 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -53.95 -33.45 56.88 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 124.288 0.993 . . . . 0.0 113.522 -179.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.3 mt -116.49 108.93 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.0 t -67.3 118.7 11.03 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.07 -8.36 52.85 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.848 -177.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.2 mt -95.38 -74.64 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 O-C-N 124.46 1.1 . . . . 0.0 111.522 -177.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 21.6 p -97.3 -17.67 19.64 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -176.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.09 21.96 72.43 Favored Glycine 0 CA--C 1.525 0.719 0 CA-C-O 118.053 -1.415 . . . . 0.0 113.499 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -162.8 12.37 0.07 Allowed 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 120.308 2.054 . . . . 0.0 113.389 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 -100.09 0.5 40.85 Favored 'General case' 0 N--CA 1.505 2.305 0 CA-C-N 118.791 0.723 . . . . 0.0 110.595 175.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.51 -73.09 0.05 Allowed 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.565 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -58.61 -49.66 76.69 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.224 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -78.75 -156.29 0.1 Allowed 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.203 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -105.89 161.19 14.67 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 124.162 0.914 . . . . 0.0 112.138 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -74.03 78.01 1.71 Allowed 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.752 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -111.69 -40.34 4.34 Favored 'General case' 0 CA--C 1.516 -0.349 0 O-C-N 124.821 1.326 . . . . 0.0 110.81 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 p -85.68 -13.35 48.8 Favored 'General case' 0 CA--C 1.515 -0.367 0 O-C-N 124.121 0.888 . . . . 0.0 109.335 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -67.74 -38.9 84.14 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.23 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 35.1 mmm -65.33 -41.63 93.76 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.2 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -79.41 142.61 35.8 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.774 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.4 mt -78.21 131.9 37.34 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.804 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.9 p -75.55 -18.36 59.8 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.242 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -60.46 -43.54 96.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.7 p -63.49 -34.94 78.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.804 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -159.72 103.23 1.53 Allowed 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.574 0.546 . . . . 0.0 110.521 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -72.08 141.5 49.23 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.948 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.76 139.19 57.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.012 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -77.14 127.62 32.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.261 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -71.46 135.07 47.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.024 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.5 m120 -77.96 105.83 9.41 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.625 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 94.3 m -65.35 -40.12 93.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.544 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -67.51 142.42 56.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.952 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.9 p -160.05 160.85 33.68 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.395 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -160.21 146.75 15.76 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 69.26 -9.61 0.6 Allowed 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.258 0.623 . . . . 0.0 112.627 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 41.18 86.34 0.02 OUTLIER 'General case' 0 C--N 1.348 0.503 0 C-N-CA 124.057 0.943 . . . . 0.0 113.05 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -44.54 162.12 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -178.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.6 m -59.95 -40.53 89.32 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.645 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -116.72 -88.15 0.6 Allowed 'General case' 0 C--N 1.346 0.439 0 O-C-N 124.454 1.096 . . . . 0.0 110.338 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 pp -161.67 12.28 0.08 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.239 0.542 . . . . 0.0 110.941 -178.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -71.63 125.28 26.68 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -65.08 -48.94 71.98 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 -174.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -70.56 -22.16 62.62 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -176.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -61.69 -21.38 64.41 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.078 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -59.42 -41.72 90.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.037 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -80.83 -56.43 4.13 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.198 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -143.09 123.17 13.63 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 124.584 1.178 . . . . 0.0 109.018 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -54.45 137.72 41.82 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 123.842 0.714 . . . . 0.0 111.948 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.6 34.74 5.06 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 124.926 1.391 . . . . 0.0 110.782 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.8 mt -66.56 1.86 1.55 Allowed 'General case' 0 CA--C 1.55 0.958 0 O-C-N 120.914 -1.117 . . . . 0.0 111.884 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.63 -36.41 76.12 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 121.97 -0.456 . . . . 0.0 111.917 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.8 pt -65.98 -53.41 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 120.135 -0.626 . . . . 0.0 111.27 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -55.99 -45.15 79.1 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.23 0.468 . . . . 0.0 111.464 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -72.18 120.19 17.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.89 0.376 . . . . 0.0 110.434 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -65.91 -39.7 90.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.248 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -73.18 128.8 36.53 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.493 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -74.0 139.03 44.49 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.52 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -66.19 -40.8 90.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.539 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.48 18.13 79.27 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.2 150.58 48.91 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.0 t -67.23 144.95 55.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.723 0.297 . . . . 0.0 110.411 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 47.7 mtt -63.84 -39.21 93.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.3 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 74.72 -166.98 54.89 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 47.9 mtp -64.27 -40.24 95.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.741 0.305 . . . . 0.0 110.39 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 83.7 p -71.64 159.55 34.21 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.525 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.47 21.62 79.36 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.2 p -160.5 161.95 32.93 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.724 0.297 . . . . 0.0 110.489 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.5 21.24 79.59 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.1 p -77.04 166.74 22.9 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.869 0.366 . . . . 0.0 110.345 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.67 -36.26 93.1 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 89.1 t80 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.236 -179.716 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.1 mtp . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.21 -40.89 97.02 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.0 73.61 1.73 Allowed Pre-proline 0 CA--C 1.537 0.475 0 CA-C-O 119.266 -0.397 . . . . 0.0 110.082 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -59.17 143.85 99.61 Favored 'Trans proline' 0 N--CA 1.496 1.655 0 C-N-CA 121.485 1.456 . . . . 0.0 110.882 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.2 t -131.27 55.5 19.19 Favored Pre-proline 0 CA--C 1.555 1.163 0 O-C-N 124.539 1.149 . . . . 0.0 110.715 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.57 -176.67 0.96 Allowed 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 121.185 1.257 . . . . 0.0 111.137 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -158.73 76.16 3.39 Favored Pre-proline 0 CA--C 1.555 1.155 0 O-C-N 123.663 0.602 . . . . 0.0 110.232 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -82.6 -178.74 4.12 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 122.204 1.936 . . . . 0.0 112.025 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -150.33 73.84 9.07 Favored Pre-proline 0 CA--C 1.548 0.886 0 O-C-N 124.027 0.829 . . . . 0.0 110.062 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -57.87 -29.17 85.32 Favored 'Trans proline' 0 N--CA 1.503 2.058 0 C-N-CA 122.036 1.824 . . . . 0.0 111.648 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.24 -39.49 94.77 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.881 -178.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 50.16 68.76 3.13 Favored Pre-proline 0 CA--C 1.545 0.778 0 O-C-N 124.336 1.022 . . . . 0.0 110.758 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -54.9 -37.06 93.22 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 121.784 1.656 . . . . 0.0 112.371 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 75.1 mtm-85 -64.79 -39.64 93.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.518 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.14 150.69 51.31 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -178.33 171.79 44.18 Favored Glycine 0 C--O 1.23 -0.131 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -71.9 -49.75 35.19 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.69 -29.41 18.11 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -177.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.5 mt -112.19 119.79 60.98 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.561 0 O-C-N 124.674 1.234 . . . . 0.0 109.726 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.7 t -76.33 149.78 36.98 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 177.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.68 -12.82 60.01 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.0 mt -114.34 -74.96 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 O-C-N 124.745 1.278 . . . . 0.0 111.146 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -67.75 -15.76 63.79 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.031 -176.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.79 -18.16 36.48 Favored Glycine 0 CA--C 1.529 0.936 0 CA-C-O 118.13 -1.372 . . . . 0.0 113.317 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -166.4 21.4 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 119.596 1.698 . . . . 0.0 113.717 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -89.69 -5.04 57.43 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.169 -0.957 . . . . 0.0 111.135 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.0 64.98 5.01 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -162.09 -60.63 0.05 OUTLIER 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.872 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.18 -84.21 0.39 Allowed 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.522 1.138 . . . . 0.0 111.954 -177.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -110.93 164.0 13.24 Favored 'General case' 0 CA--C 1.509 -0.614 0 O-C-N 124.4 1.063 . . . . 0.0 109.516 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -129.38 45.56 2.78 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 124.967 1.417 . . . . 0.0 109.447 -178.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -87.06 -35.23 18.84 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.871 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.2 p -79.8 -6.22 56.9 Favored 'General case' 0 C--O 1.224 -0.255 0 O-C-N 123.387 0.429 . . . . 0.0 110.637 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.64 -34.35 77.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.078 0.466 . . . . 0.0 110.173 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 47.3 mtp -65.13 -42.58 93.74 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.153 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -86.36 140.67 29.81 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 123.744 0.652 . . . . 0.0 110.546 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.3 mt -90.91 17.49 7.78 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 123.684 0.615 . . . . 0.0 109.746 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.0 p -81.76 157.27 24.58 Favored 'General case' 0 C--O 1.233 0.22 0 O-C-N 123.801 0.688 . . . . 0.0 109.89 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -82.49 136.22 34.94 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.872 0.732 . . . . 0.0 110.816 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.0 m -63.15 -49.39 74.54 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.734 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -84.78 109.22 17.91 Favored 'General case' 0 C--N 1.344 0.333 0 O-C-N 123.976 0.797 . . . . 0.0 109.984 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -64.1 -45.16 89.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.067 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -67.95 132.24 46.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.356 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -62.25 -47.36 84.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.963 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -76.88 134.17 39.07 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.862 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -81.58 86.66 6.34 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.734 0.646 . . . . 0.0 110.951 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.6 t -75.95 109.46 9.6 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.956 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -80.29 116.47 20.39 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.652 0.595 . . . . 0.0 109.862 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.3 t -76.67 -79.57 0.11 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.934 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -79.27 140.92 37.47 Favored 'General case' 0 C--N 1.342 0.252 0 CA-C-O 121.01 0.433 . . . . 0.0 110.519 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -72.7 -17.29 61.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.431 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -64.79 -42.87 94.73 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.21 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -49.07 141.52 7.89 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 124.212 0.945 . . . . 0.0 110.869 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -161.46 20.35 0.12 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.673 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -143.7 21.39 1.82 Allowed 'General case' 0 N--CA 1.474 0.765 0 O-C-N 123.972 0.795 . . . . 0.0 110.715 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 56.23 13.63 1.29 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.432 0.693 . . . . 0.0 111.336 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.7 t -90.51 118.15 29.75 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.492 -1.231 . . . . 0.0 108.789 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -67.81 -37.53 82.09 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 114.801 -1.09 . . . . 0.0 113.151 -176.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -76.09 -24.15 55.02 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -177.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -62.18 -23.33 66.55 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.621 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -56.22 -39.45 72.53 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.266 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -90.67 -53.67 4.32 Favored 'General case' 0 CA--C 1.516 -0.357 0 O-C-N 124.038 0.836 . . . . 0.0 111.223 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -137.47 114.8 10.99 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 124.441 1.088 . . . . 0.0 110.48 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -53.95 140.24 31.65 Favored 'General case' 0 C--O 1.236 0.379 0 O-C-N 124.557 1.161 . . . . 0.0 111.151 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -130.28 38.84 3.72 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 124.986 1.428 . . . . 0.0 110.347 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.2 mt -73.51 3.11 6.55 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 121.553 -0.717 . . . . 0.0 110.458 179.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.49 -48.04 61.95 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.5 pt -63.0 -42.41 96.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.372 -178.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -58.79 -45.18 90.46 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -161.95 128.19 3.67 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.25 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -71.86 133.79 45.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.865 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -72.65 131.44 42.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.764 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -72.82 136.12 45.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.276 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -70.94 139.47 50.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.51 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.85 22.37 79.13 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.27 -42.17 99.35 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.1 m -61.07 -42.31 98.26 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.941 0.401 . . . . 0.0 110.581 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 42.7 mtp -65.24 -38.17 89.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.473 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.74 -42.06 99.7 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 50.4 mtt -64.72 -41.14 96.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.806 0.336 . . . . 0.0 110.365 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.2 t -63.2 -41.67 99.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.379 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.02 167.79 45.53 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 78.0 p -63.89 -36.51 84.18 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.127 -0.229 . . . . 0.0 110.586 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 75.13 178.92 42.83 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.4 p -66.38 -33.72 76.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.706 0.288 . . . . 0.0 110.672 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.71 177.67 43.67 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.56 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.8 mmm . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 73.0 20.96 80.19 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.313 -1.115 . . . . 0.0 110.313 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.85 116.14 11.43 Favored Pre-proline 0 CA--C 1.558 1.255 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.742 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -57.01 145.08 87.6 Favored 'Trans proline' 0 N--CA 1.508 2.367 0 CA-C-N 122.349 1.875 . . . . 0.0 112.687 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 5' ' ' VAL . 7.2 p -160.59 70.3 2.83 Favored Pre-proline 0 CA--C 1.557 1.248 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.967 -179.235 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -57.47 -43.16 53.97 Favored 'Trans proline' 0 N--CA 1.497 1.7 0 C-N-CA 120.893 1.062 . . . . 0.0 112.408 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -72.74 151.53 91.18 Favored Pre-proline 0 CA--C 1.55 0.949 0 CA-C-O 118.822 -0.609 . . . . 0.0 110.41 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -70.18 -31.11 19.24 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 CA-C-N 121.302 1.501 . . . . 0.0 113.366 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -152.96 73.39 7.09 Favored Pre-proline 0 CA--C 1.551 0.989 0 O-C-N 124.172 0.92 . . . . 0.0 110.883 -178.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -73.57 -13.91 24.83 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 121.298 1.332 . . . . 0.0 111.917 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.2 mt -62.55 -41.9 99.19 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.965 -178.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 49.87 66.23 5.88 Favored Pre-proline 0 CA--C 1.55 0.943 0 O-C-N 124.109 0.881 . . . . 0.0 110.897 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -73.36 153.74 50.65 Favored 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 121.237 1.291 . . . . 0.0 111.412 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -127.66 140.97 51.75 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 124.497 1.123 . . . . 0.0 109.83 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.82 -171.51 53.57 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.651 -0.979 . . . . 0.0 110.651 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.27 18.83 79.88 Favored Glycine 0 C--N 1.332 0.306 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -63.86 -52.54 59.56 Favored 'General case' 0 C--O 1.212 -0.903 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -48.48 -24.58 1.33 Allowed 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -178.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.1 mm -108.18 114.15 45.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 O-C-N 123.972 0.795 . . . . 0.0 110.183 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.8 t -73.96 150.67 40.63 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.53 -15.38 59.89 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 121.5 -0.08 . . . . 0.0 111.194 -178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.5 mt -114.74 -78.04 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 O-C-N 124.71 1.256 . . . . 0.0 110.636 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.9 m -63.34 -12.57 30.98 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -176.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.17 -18.65 9.5 Favored Glycine 0 C--O 1.217 -0.945 0 CA-C-O 117.861 -1.522 . . . . 0.0 113.34 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -165.88 18.54 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -94.19 6.89 47.19 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 118.567 0.621 . . . . 0.0 111.65 177.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.54 63.71 5.95 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.79 0.805 . . . . 0.0 109.147 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -173.78 -9.12 0.01 OUTLIER 'General case' 0 C--O 1.237 0.415 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.218 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -149.6 -129.84 0.05 Allowed 'General case' 0 CA--C 1.549 0.912 0 O-C-N 123.042 0.214 . . . . 0.0 111.536 -178.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -65.29 134.48 53.7 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 122.239 -0.288 . . . . 0.0 110.385 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -104.41 40.51 1.46 Allowed 'General case' 0 C--N 1.345 0.374 0 O-C-N 124.488 1.118 . . . . 0.0 109.702 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -83.08 -31.45 27.3 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.881 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.9 p -77.84 -13.04 60.01 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.6 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -64.94 -42.63 94.48 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.413 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.3 mtm -71.45 -43.81 65.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -82.47 174.09 11.4 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.568 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.8 mt -109.39 125.18 52.12 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 124.288 0.993 . . . . 0.0 108.782 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.1 p -80.35 163.67 23.72 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.757 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -82.05 138.59 34.81 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.643 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 82.0 m -63.48 -46.31 86.75 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.322 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -82.39 88.54 6.57 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.697 0.623 . . . . 0.0 110.451 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.8 mtm-85 -78.86 133.41 36.99 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.706 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -84.07 108.8 17.22 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 123.813 0.696 . . . . 0.0 110.335 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -88.67 127.82 35.59 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.88 0.738 . . . . 0.0 110.099 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -73.89 134.14 43.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.144 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -64.49 -40.97 96.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 t -72.49 112.71 8.79 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.469 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -131.9 113.34 13.34 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 124.403 1.064 . . . . 0.0 109.643 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.4 t -62.97 -44.25 96.56 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.98 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -146.82 134.92 21.56 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 124.186 0.929 . . . . 0.0 109.843 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -82.91 19.44 1.37 Allowed 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.565 0.541 . . . . 0.0 111.132 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -62.13 -48.15 81.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.842 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.43 15.08 0.25 Allowed 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.231 0.539 . . . . 0.0 109.973 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -60.13 -47.28 86.58 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.067 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -67.18 -53.74 27.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.783 0.325 . . . . 0.0 111.461 -178.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.7 mt -60.87 -68.42 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.515 -178.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 22.8 t -91.02 113.53 25.81 Favored 'General case' 0 C--N 1.339 0.146 0 O-C-N 123.969 0.793 . . . . 0.0 109.262 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -70.4 -34.87 73.05 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.849 -178.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.67 -27.88 62.37 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -177.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.77 -24.63 65.91 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.828 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -54.74 -45.27 74.11 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.084 -177.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -80.19 -51.25 9.18 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.53 0.519 . . . . 0.0 111.446 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -139.52 113.56 8.8 Favored 'General case' 0 C--O 1.219 -0.55 0 O-C-N 124.376 1.047 . . . . 0.0 109.169 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.3 mmtt -53.14 138.66 30.85 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 124.266 0.979 . . . . 0.0 111.379 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.54 16.93 11.26 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 124.924 1.39 . . . . 0.0 110.088 179.416 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.6 mt -59.4 -1.3 0.21 Allowed 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.05 -45.13 94.92 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 121.939 -0.476 . . . . 0.0 110.835 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -58.63 -70.87 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.331 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -73.18 123.52 23.81 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 117.972 0.351 . . . . 0.0 110.453 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -72.19 140.83 48.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.189 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -72.9 138.99 46.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.787 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -152.69 147.96 26.72 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.824 0.702 . . . . 0.0 110.793 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -70.17 141.0 52.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.448 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -65.28 -40.21 93.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.519 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.05 -37.17 94.22 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 73.12 19.75 79.72 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.856 -0.897 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.0 m -71.35 147.96 47.5 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 110.359 -0.238 . . . . 0.0 110.359 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 18.4 ttp -62.58 -42.72 99.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.25 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 170.0 128.64 1.03 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.746 -0.941 . . . . 0.0 110.746 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 8.4 ttp -65.1 -42.23 94.19 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.4 m -61.32 -43.07 99.49 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.734 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.63 16.64 76.05 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 78.2 p -62.37 -36.4 82.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.792 0.33 . . . . 0.0 110.686 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 177.24 -174.32 46.92 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.6 t -155.33 161.66 41.02 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.814 0.361 . . . . 0.0 110.717 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.68 19.12 77.77 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 59.4 t80 . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.211 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.8 mtm . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.72 -43.44 94.21 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -165.56 72.62 1.34 Allowed Pre-proline 0 CA--C 1.545 0.767 0 CA-C-O 119.325 -0.369 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -60.25 145.4 98.63 Favored 'Trans proline' 0 N--CA 1.499 1.829 0 C-N-CA 121.168 1.246 . . . . 0.0 110.944 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.96 157.44 69.39 Favored Pre-proline 0 CA--C 1.552 1.022 0 CA-C-O 117.941 -1.028 . . . . 0.0 109.797 -178.467 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -50.82 -41.71 54.03 Favored 'Trans proline' 0 N--CA 1.51 2.451 0 C-N-CA 121.64 1.56 . . . . 0.0 113.218 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -154.0 148.73 19.67 Favored Pre-proline 0 CA--C 1.552 1.033 0 CA-C-O 118.356 -0.83 . . . . 0.0 109.135 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -76.88 7.17 3.71 Favored 'Trans proline' 0 N--CA 1.504 2.104 0 CA-C-N 121.499 1.571 . . . . 0.0 112.965 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 49.54 71.61 1.52 Allowed Pre-proline 0 CA--C 1.547 0.837 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.408 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -57.14 -29.13 82.21 Favored 'Trans proline' 0 N--CA 1.503 2.042 0 C-N-CA 122.085 1.857 . . . . 0.0 112.086 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.11 -41.18 99.3 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.563 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -155.11 74.37 5.53 Favored Pre-proline 0 CA--C 1.559 1.297 0 O-C-N 123.918 0.761 . . . . 0.0 111.229 -178.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -55.82 -35.42 93.7 Favored 'Trans proline' 0 N--CA 1.504 2.143 0 C-N-CA 122.109 1.873 . . . . 0.0 112.945 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.7 ttt85 -60.72 -43.56 97.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.943 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.05 -101.59 1.14 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.296 -1.122 . . . . 0.0 110.296 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.08 21.96 79.41 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -59.23 138.1 57.72 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-O 121.694 0.759 . . . . 0.0 109.494 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -59.44 -53.28 59.98 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 114.233 -1.349 . . . . 0.0 112.788 -176.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.0 mp -99.17 120.58 48.69 Favored 'Isoleucine or valine' 0 C--N 1.346 0.445 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.2 t -70.32 144.54 51.66 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.68 -8.28 53.15 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -176.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.8 mt -118.64 -74.76 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 124.5 1.125 . . . . 0.0 111.23 -177.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -71.05 -28.33 64.29 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.452 -176.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.72 -23.4 16.82 Favored Glycine 0 CA--C 1.525 0.689 0 O-C-N 124.113 0.883 . . . . 0.0 111.621 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -146.5 16.55 1.3 Allowed 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 -177.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.66 -40.76 40.6 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 118.924 0.784 . . . . 0.0 110.099 177.414 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.13 -34.73 32.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 124.655 1.222 . . . . 0.0 109.354 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -75.14 -54.43 7.15 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.459 177.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -95.35 -134.3 0.2 Allowed 'General case' 0 N--CA 1.483 1.22 0 O-C-N 124.043 0.839 . . . . 0.0 111.856 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -73.28 173.15 9.91 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 117.994 0.361 . . . . 0.0 110.65 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -128.14 46.88 2.5 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 124.284 0.99 . . . . 0.0 109.826 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -102.64 -28.71 11.97 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.914 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 3.1 p -83.29 -6.37 59.45 Favored 'General case' 0 N--CA 1.471 0.575 0 O-C-N 123.575 0.547 . . . . 0.0 109.883 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.44 -37.88 85.15 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.904 178.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 35.3 mtm -65.96 -41.67 90.94 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -156.18 137.78 14.14 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.51 0.506 . . . . 0.0 110.551 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.22 126.44 30.62 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 32.2 m -83.57 121.85 27.79 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.752 0.658 . . . . 0.0 109.708 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -79.45 131.86 36.2 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.337 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.8 t -156.74 148.28 22.46 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.652 0.595 . . . . 0.0 110.466 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -81.0 85.07 6.33 Favored 'General case' 0 N--CA 1.462 0.168 0 O-C-N 123.759 0.662 . . . . 0.0 110.368 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -73.23 132.35 43.07 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.746 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.5 p-10 -67.77 135.11 52.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.486 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -61.72 -48.01 82.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.658 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -68.34 127.31 32.49 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.55 HD21 HH12 ' A' ' 61' ' ' ARG . 10.8 t-20 -78.96 129.3 34.33 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.53 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.9 m -65.49 -42.72 91.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.125 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -138.92 149.95 45.37 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 124.215 0.947 . . . . 0.0 109.712 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.7 p -159.94 156.63 27.51 Favored 'General case' 0 N--CA 1.463 0.176 0 O-C-N 123.438 0.462 . . . . 0.0 110.614 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -149.36 150.28 32.21 Favored 'General case' 0 N--CA 1.464 0.237 0 O-C-N 124.09 0.869 . . . . 0.0 109.431 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -92.16 -11.71 34.82 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 124.014 0.821 . . . . 0.0 110.952 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt -63.77 -40.36 96.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.797 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 10.4 t -96.21 146.9 24.3 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 123.767 0.667 . . . . 0.0 110.977 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.5 m -57.95 -1.31 0.11 Allowed 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 75.08 -11.94 1.01 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.544 1.138 . . . . 0.0 111.85 179.12 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.22 -53.14 57.74 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.7 t -93.61 126.78 38.96 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 124.2 0.937 . . . . 0.0 108.821 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -73.34 -40.62 64.3 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -176.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -74.1 -24.97 59.54 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -177.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.4 m -64.18 -20.71 66.2 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.287 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.55 HH12 HD21 ' A' ' 46' ' ' ASN . 99.6 mtt180 -57.58 -36.23 71.42 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.236 -177.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -90.38 -53.9 4.24 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.932 0.77 . . . . 0.0 111.935 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -140.67 115.87 9.91 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 124.293 0.996 . . . . 0.0 109.662 -178.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -50.08 144.5 6.85 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 124.184 0.928 . . . . 0.0 112.562 -178.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.76 26.69 6.6 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.795 1.309 . . . . 0.0 110.99 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.4 mt -63.95 2.69 0.48 Allowed 'General case' 0 CA--C 1.554 1.098 0 O-C-N 120.965 -1.085 . . . . 0.0 112.416 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.23 -39.9 65.1 Favored 'General case' 0 N--CA 1.454 -0.271 0 O-C-N 122.063 -0.398 . . . . 0.0 111.993 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.9 pt -62.13 -63.22 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.74 0 C-N-CA 120.098 -0.641 . . . . 0.0 111.237 -178.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -64.84 128.69 36.84 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 118.809 0.731 . . . . 0.0 110.316 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -72.22 136.53 46.4 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.215 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -64.8 135.13 55.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.258 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -65.56 -41.01 93.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.726 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -70.36 135.04 48.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.438 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -66.1 -40.29 90.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.491 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.56 19.7 79.73 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.65 155.84 51.6 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.8 p -71.4 160.07 33.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.83 0.348 . . . . 0.0 110.572 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 43.5 mtp -63.96 -40.44 96.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.371 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -170.15 172.02 43.73 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 50.6 mtt -64.43 -39.88 94.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.757 0.313 . . . . 0.0 110.256 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.8 t -61.37 -43.97 97.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.737 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.43 22.69 78.81 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.3 t -162.12 156.52 22.06 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.819 0.342 . . . . 0.0 110.565 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -67.56 158.14 51.42 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.2 p -75.73 165.01 25.68 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.636 0.255 . . . . 0.0 110.491 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 72.69 -169.57 52.14 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.913 -1.041 . . . . 0.0 110.538 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.2 mtp . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -64.84 -35.31 91.75 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.43 172.36 1.32 Allowed Pre-proline 0 CA--C 1.543 0.695 0 CA-C-O 119.219 -0.42 . . . . 0.0 110.906 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -62.56 151.23 84.44 Favored 'Trans proline' 0 N--CA 1.498 1.741 0 CA-C-N 120.479 1.207 . . . . 0.0 111.413 178.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 51.7 t -140.04 70.52 35.1 Favored Pre-proline 0 CA--C 1.557 1.214 0 O-C-N 123.91 0.756 . . . . 0.0 110.198 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -56.2 -39.95 87.92 Favored 'Trans proline' 0 N--CA 1.503 2.075 0 C-N-CA 121.934 1.756 . . . . 0.0 112.446 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.46 161.87 74.88 Favored Pre-proline 0 CA--C 1.546 0.809 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.93 -179.423 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -74.9 -178.98 4.52 Favored 'Trans proline' 0 N--CA 1.501 1.944 0 C-N-CA 121.585 1.523 . . . . 0.0 112.165 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -160.74 74.23 2.74 Favored Pre-proline 0 CA--C 1.553 1.077 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.094 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -64.61 -22.28 64.86 Favored 'Trans proline' 0 N--CA 1.5 1.867 0 C-N-CA 121.435 1.423 . . . . 0.0 111.94 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.6 mt -60.35 -41.85 94.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.075 -178.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 49.15 69.51 2.65 Favored Pre-proline 0 CA--C 1.546 0.813 0 O-C-N 124.147 0.904 . . . . 0.0 110.795 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -57.45 142.25 95.17 Favored 'Trans proline' 0 N--CA 1.499 1.798 0 C-N-CA 121.391 1.394 . . . . 0.0 111.959 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.4 ttm-85 -62.79 -44.61 95.72 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.77 -174.71 45.52 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -169.11 151.54 17.92 Favored Glycine 0 CA--C 1.517 0.165 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -72.74 -48.14 41.03 Favored 'General case' 0 C--O 1.208 -1.118 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -54.62 -35.07 63.02 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -178.471 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.8 mm -110.14 117.38 54.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 O-C-N 124.333 1.02 . . . . 0.0 109.594 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.0 t -69.42 139.45 54.06 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.883 178.17 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.17 -11.18 60.02 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.914 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.8 mt -109.54 -72.3 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 O-C-N 124.416 1.072 . . . . 0.0 110.65 -178.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.4 m -66.22 -16.98 64.45 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.88 -177.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.88 -8.84 13.24 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.841 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -155.25 15.15 0.39 Allowed 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -97.39 -130.8 0.19 Allowed 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 118.412 0.551 . . . . 0.0 109.709 176.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 48.26 59.54 4.22 Favored 'General case' 0 C--N 1.35 0.588 0 C-N-CA 123.506 0.722 . . . . 0.0 111.409 177.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -159.11 -30.8 0.07 Allowed 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.055 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -145.45 -95.9 0.1 Allowed 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.554 0.534 . . . . 0.0 111.99 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -90.61 131.39 36.35 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 122.746 0.418 . . . . 0.0 110.654 -178.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -93.83 47.65 1.23 Allowed 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.995 0.81 . . . . 0.0 109.964 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -83.42 -31.72 26.49 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.234 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.6 p -78.15 -13.45 59.86 Favored 'General case' 0 C--N 1.333 -0.122 0 O-C-N 123.446 0.466 . . . . 0.0 110.427 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -71.93 -6.58 42.95 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.053 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.7 mtp -122.91 152.44 40.8 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 124.538 1.149 . . . . 0.0 110.031 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -76.76 98.93 4.94 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.244 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 69.4 mt -76.85 145.92 38.06 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.799 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.0 m -63.64 -46.5 85.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.243 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -83.33 83.0 8.03 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.726 0.642 . . . . 0.0 110.769 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.4 p -68.97 -36.97 78.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.695 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -80.28 112.85 18.0 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.631 0.582 . . . . 0.0 110.156 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -128.34 104.3 7.64 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 124.545 1.153 . . . . 0.0 109.741 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -76.46 114.2 14.9 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.789 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -84.75 141.68 30.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.551 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.83 -43.34 93.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.465 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 53.98 33.98 18.64 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.968 0.793 . . . . 0.0 110.742 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.3 m -63.56 -47.66 80.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.224 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -136.6 138.56 41.32 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 124.211 0.944 . . . . 0.0 109.315 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.0 t -164.73 152.92 12.12 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.897 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -147.65 151.78 36.76 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 124.099 0.875 . . . . 0.0 109.185 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -110.47 10.88 23.2 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 123.952 0.782 . . . . 0.0 110.168 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.93 -43.41 98.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.925 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 6.8 m -78.4 -147.01 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.316 0 O-C-N 123.376 0.423 . . . . 0.0 110.222 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.9 m -86.15 83.51 7.72 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.33 0.652 . . . . 0.0 109.958 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -44.73 -31.84 1.32 Allowed 'General case' 0 N--CA 1.478 0.938 0 O-C-N 124.428 1.08 . . . . 0.0 111.714 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.8 mt -61.17 -47.41 86.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.559 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.1 t -91.15 116.12 28.56 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 123.882 0.739 . . . . 0.0 109.086 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -66.02 -36.36 83.07 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -176.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.68 -26.21 54.53 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -177.57 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -62.09 -22.53 65.86 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.981 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -57.45 -35.84 70.63 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.967 -178.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -89.04 -54.62 4.04 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.929 0.768 . . . . 0.0 111.361 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -142.69 118.06 10.25 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 124.222 0.951 . . . . 0.0 109.888 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.8 mmtt -51.57 135.59 27.95 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.858 0.724 . . . . 0.0 112.202 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.43 30.86 6.88 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 124.892 1.37 . . . . 0.0 110.114 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.1 mt -67.63 1.5 2.39 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.635 -0.666 . . . . 0.0 111.935 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.96 -52.04 65.62 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.3 pt -58.06 -55.97 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 120.261 -0.575 . . . . 0.0 111.56 -177.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -56.65 -40.56 75.67 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 118.105 0.411 . . . . 0.0 111.123 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.1 m80 -149.83 108.17 3.78 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.893 0.745 . . . . 0.0 110.748 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -65.36 -39.72 92.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.266 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -72.34 142.76 48.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.481 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -71.18 144.87 50.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.676 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -65.66 -40.69 92.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.656 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -173.24 178.72 45.07 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -170.51 -163.78 25.13 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.7 t -60.96 -43.18 99.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 110.687 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 49.2 mtp -64.63 -40.27 95.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.085 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 74.23 -178.72 43.74 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 44.5 mtp -64.05 -40.68 96.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.633 0.254 . . . . 0.0 110.423 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.7 m -71.1 147.37 48.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.59 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -67.05 175.06 24.82 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.9 p -159.88 161.46 34.38 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 110.695 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.06 21.36 78.36 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.5 p -76.86 165.48 24.64 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.816 0.341 . . . . 0.0 110.555 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.74 20.01 78.38 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 87.7 t80 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.419 -179.801 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.6 mtm . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 70.46 23.43 77.55 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.856 -0.897 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.14 174.45 3.71 Favored Pre-proline 0 CA--C 1.542 0.664 0 CA-C-O 118.77 -0.633 . . . . 0.0 110.014 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -59.76 142.56 98.91 Favored 'Trans proline' 0 N--CA 1.503 2.052 0 CA-C-N 120.752 1.304 . . . . 0.0 112.06 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.5 t -129.1 53.5 11.69 Favored Pre-proline 0 CA--C 1.558 1.251 0 O-C-N 124.341 1.025 . . . . 0.0 110.55 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.7 -16.82 54.96 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 CA-C-N 120.018 1.042 . . . . 0.0 111.877 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.92 174.56 3.06 Favored Pre-proline 0 CA--C 1.544 0.733 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -62.45 -161.86 0.04 OUTLIER 'Trans proline' 0 N--CA 1.504 2.096 0 CA-C-N 121.523 1.58 . . . . 0.0 113.438 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -146.7 75.64 12.03 Favored Pre-proline 0 CA--C 1.543 0.691 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.302 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -59.47 -28.42 87.45 Favored 'Trans proline' 0 N--CA 1.501 1.937 0 C-N-CA 121.694 1.596 . . . . 0.0 111.458 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.96 -41.23 97.76 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.77 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 49.82 68.96 2.96 Favored Pre-proline 0 CA--C 1.551 1.014 0 O-C-N 124.084 0.865 . . . . 0.0 111.514 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.7 -36.42 81.67 Favored 'Trans proline' 0 N--CA 1.506 2.21 0 C-N-CA 122.036 1.824 . . . . 0.0 113.301 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -62.29 -40.53 96.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.237 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.69 -121.89 26.35 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.689 -0.965 . . . . 0.0 110.689 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.12 19.35 78.47 Favored Glycine 0 C--O 1.226 -0.381 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.32 -51.28 58.92 Favored 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.95 -24.16 15.5 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -177.475 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.4 mt -113.55 113.16 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 O-C-N 124.266 0.979 . . . . 0.0 109.025 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.6 t -71.99 149.46 44.97 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.89 -11.38 59.81 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.3 mt -116.14 -78.68 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 124.776 1.297 . . . . 0.0 109.819 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.0 m -63.19 -14.82 53.43 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -176.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.23 -25.4 7.96 Favored Glycine 0 CA--C 1.525 0.682 0 CA-C-O 118.486 -1.175 . . . . 0.0 113.12 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.6 p30 -166.54 17.66 0.03 OUTLIER 'General case' 0 CA--C 1.559 1.298 0 CA-C-N 119.187 1.494 . . . . 0.0 114.048 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -96.55 14.37 24.95 Favored 'General case' 0 N--CA 1.5 2.052 0 CA-C-O 121.485 0.66 . . . . 0.0 110.881 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.96 -61.39 2.61 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.337 -1.301 . . . . 0.0 108.013 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -2.08 -71.98 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 O-C-N 126.295 2.247 . . . . 0.0 114.235 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -156.1 -45.67 0.08 Allowed 'General case' 0 N--CA 1.475 0.807 0 O-C-N 123.867 0.729 . . . . 0.0 111.214 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -74.03 78.29 1.7 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.695 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -84.35 41.05 0.81 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.388 0.613 . . . . 0.0 109.828 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -83.69 -33.83 25.08 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.495 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.4 p -79.62 -9.04 59.57 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.659 0.599 . . . . 0.0 110.807 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -65.87 -18.04 65.07 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.665 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 34.3 mmm -81.01 138.92 36.03 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.721 0.638 . . . . 0.0 110.027 179.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -79.69 93.32 5.52 Favored 'General case' 0 N--CA 1.463 0.217 0 O-C-N 123.579 0.549 . . . . 0.0 111.219 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 mt -117.04 118.26 31.9 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 124.371 1.044 . . . . 0.0 109.468 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.5 p -73.52 -26.2 60.77 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.441 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -60.99 -44.66 97.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.151 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.7 p -74.4 80.34 1.89 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.538 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -73.78 142.05 46.23 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.285 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.7 mtp85 -71.5 142.31 50.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.04 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -69.06 132.11 46.1 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.057 0.456 . . . . 0.0 110.007 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -64.71 -44.35 90.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.011 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.72 -43.95 95.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.617 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.0 t30 54.58 39.21 31.02 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.902 0.751 . . . . 0.0 111.2 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.9 t -74.08 131.47 41.36 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.81 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -67.51 140.75 57.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.409 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 38.4 t -62.48 -42.55 99.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.401 ' H ' ' NH1' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -157.59 173.47 16.81 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 123.494 0.496 . . . . 0.0 110.013 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -131.26 32.24 4.27 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 124.11 0.881 . . . . 0.0 111.26 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.72 -48.6 76.41 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.857 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -169.59 164.25 10.26 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.114 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 57.1 m 35.59 70.09 0.16 Allowed 'General case' 0 C--N 1.355 0.834 0 O-C-N 124.934 1.396 . . . . 0.0 112.258 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -56.24 -26.46 51.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.878 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.66 -47.87 81.8 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 24.4 t -94.12 111.77 23.52 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 124.283 0.99 . . . . 0.0 109.787 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -68.46 -36.11 78.54 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.753 -177.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.94 -26.2 60.37 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -177.277 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -61.18 -26.65 67.86 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.332 0.586 . . . . 0.0 110.054 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.401 ' NH1' ' H ' ' A' ' 50' ' ' TYR . 98.8 mtt180 -60.61 -38.27 84.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.836 -177.726 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -88.74 -52.85 4.91 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.856 0.723 . . . . 0.0 111.539 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -137.11 116.15 12.42 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 124.394 1.059 . . . . 0.0 109.639 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -54.38 133.96 45.46 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 123.808 0.692 . . . . 0.0 111.526 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -123.51 18.1 9.66 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 125.054 1.471 . . . . 0.0 111.078 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.49 2.16 0.11 Allowed 'General case' 0 CA--C 1.554 1.132 0 O-C-N 121.045 -1.034 . . . . 0.0 113.086 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.28 -42.18 79.93 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 121.611 -0.681 . . . . 0.0 111.185 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 pt -59.71 -69.39 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.365 -178.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -76.09 127.97 34.04 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 118.022 0.374 . . . . 0.0 110.755 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -71.63 134.28 46.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.665 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -70.0 135.05 48.95 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -70.2 131.93 44.99 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.598 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -66.41 -40.29 89.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.594 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -152.94 147.37 25.87 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.914 0.759 . . . . 0.0 110.299 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.11 159.49 49.66 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.63 150.78 51.04 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 66.1 m -61.22 -39.85 91.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.814 0.34 . . . . 0.0 110.777 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 46.4 mtp -63.58 -40.51 97.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.158 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.66 149.18 50.38 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 39.0 mtt -64.92 -39.95 94.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.744 0.307 . . . . 0.0 110.381 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.7 m -69.47 147.44 50.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.49 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 170.8 -26.78 0.1 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.099 -0.801 . . . . 0.0 111.099 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.1 m -68.54 142.72 55.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.813 0.34 . . . . 0.0 110.544 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -65.09 -35.62 91.99 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.4 p -72.56 -19.06 61.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.75 0.309 . . . . 0.0 110.567 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.39 -40.5 98.73 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.735 179.879 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.2 mtp . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.43 19.1 79.66 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 50.75 71.33 1.58 Allowed Pre-proline 0 CA--C 1.545 0.763 0 C-N-CA 122.888 0.475 . . . . 0.0 112.204 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -58.48 144.04 97.27 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 121.33 1.353 . . . . 0.0 111.784 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.2 m -134.15 76.06 64.35 Favored Pre-proline 0 CA--C 1.559 1.301 0 O-C-N 124.388 1.055 . . . . 0.0 110.075 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -56.79 -35.7 98.16 Favored 'Trans proline' 0 N--CA 1.502 1.98 0 C-N-CA 121.577 1.518 . . . . 0.0 111.531 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 66.3 t80 52.36 71.25 1.52 Allowed Pre-proline 0 CA--C 1.548 0.883 0 O-C-N 124.304 1.003 . . . . 0.0 111.29 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -82.63 4.07 7.35 Favored 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 122.104 1.869 . . . . 0.0 112.218 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.2 t70 51.21 70.72 1.82 Allowed Pre-proline 0 CA--C 1.552 1.038 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.492 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -57.83 -25.11 67.52 Favored 'Trans proline' 0 N--CA 1.503 2.066 0 C-N-CA 121.842 1.695 . . . . 0.0 112.28 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.4 mt -60.26 -42.38 95.25 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.222 -178.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 49.01 63.15 10.92 Favored Pre-proline 0 CA--C 1.547 0.836 0 O-C-N 123.848 0.718 . . . . 0.0 111.453 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.47 153.35 55.25 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 121.306 1.337 . . . . 0.0 112.358 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -70.25 140.78 52.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.899 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.02 160.49 50.47 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.29 156.73 50.2 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -72.46 -47.47 48.61 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 178.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -62.37 -51.23 68.4 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.001 -0.679 . . . . 0.0 112.284 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.3 mp -105.05 124.1 59.56 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 O-C-N 123.59 0.556 . . . . 0.0 110.758 -177.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 t -81.69 144.1 31.4 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 177.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.11 -11.23 56.64 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -176.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.2 mt -116.74 -70.8 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 O-C-N 124.563 1.164 . . . . 0.0 111.801 -177.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -79.0 -27.73 43.32 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -176.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.98 -9.18 57.88 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-O 119.011 -0.883 . . . . 0.0 112.196 -178.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -148.03 16.22 1.07 Allowed 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 -177.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.46 -38.76 21.41 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 118.935 0.788 . . . . 0.0 109.914 177.316 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.89 -33.91 67.35 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.307 -177.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -81.21 -40.61 23.58 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.216 177.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -108.02 -136.85 0.36 Allowed 'General case' 0 N--CA 1.486 1.345 0 O-C-N 124.362 1.039 . . . . 0.0 113.082 -177.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -68.25 -168.46 0.11 Allowed 'General case' 0 N--CA 1.474 0.748 0 O-C-N 122.171 -0.33 . . . . 0.0 111.539 -178.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -138.15 25.86 2.7 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 123.613 0.571 . . . . 0.0 110.902 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -96.48 -14.43 22.35 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 124.292 0.995 . . . . 0.0 111.284 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.9 p -79.32 -17.47 54.51 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 123.541 0.525 . . . . 0.0 110.804 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -67.76 -18.25 64.81 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.2 mmm -65.32 -41.94 93.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.694 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -85.87 113.96 22.42 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.934 0.771 . . . . 0.0 111.072 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.6 mt -72.54 148.48 44.95 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.0 p -139.58 162.84 34.11 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 124.415 1.072 . . . . 0.0 110.308 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -75.11 167.42 21.96 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.513 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.5 m -61.7 -45.62 93.2 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -79.98 103.0 9.56 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.525 0.516 . . . . 0.0 110.513 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -74.47 136.61 42.27 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.746 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -79.13 110.02 13.99 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 123.554 0.534 . . . . 0.0 110.591 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -80.24 137.74 36.69 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.446 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -70.6 133.12 46.42 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -63.6 -42.26 98.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.257 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 38.1 t -74.57 86.56 2.1 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.459 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -78.15 124.03 27.58 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.817 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.8 t -67.37 -46.68 72.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.525 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -153.11 155.31 36.53 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 123.986 0.804 . . . . 0.0 110.313 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -109.37 5.58 23.63 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 124.631 1.207 . . . . 0.0 110.155 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.78 -31.81 72.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.887 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 61.7 m -102.59 168.09 9.5 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 124.068 0.855 . . . . 0.0 111.637 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 84.9 p -59.1 -13.26 6.45 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.13 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t70 74.17 -8.15 1.5 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.225 1.01 . . . . 0.0 111.922 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.17 -48.93 76.29 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.4 t -93.43 127.57 39.11 Favored 'General case' 0 C--N 1.341 0.23 0 O-C-N 124.484 1.115 . . . . 0.0 108.653 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -72.74 -39.28 67.01 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -177.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.87 -25.75 59.19 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -177.625 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.4 m -61.92 -26.18 68.02 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.817 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -54.67 -35.02 63.12 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.804 0.69 . . . . 0.0 111.176 -178.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -91.52 -54.24 3.98 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.992 0.807 . . . . 0.0 111.317 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -144.38 118.11 9.25 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 124.086 0.866 . . . . 0.0 110.123 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.9 mmtt -49.2 143.75 5.78 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 124.139 0.9 . . . . 0.0 112.809 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.46 24.65 6.67 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 124.789 1.305 . . . . 0.0 110.567 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.7 mt -67.61 6.43 0.64 Allowed 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.81 -40.48 95.29 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.602 -0.686 . . . . 0.0 110.446 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.4 pt -71.2 -66.46 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 O-C-N 123.548 0.53 . . . . 0.0 111.402 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -72.43 125.41 27.34 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 118.726 0.694 . . . . 0.0 110.452 177.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -73.51 137.06 44.21 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.552 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -68.75 141.73 55.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.166 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -69.04 133.53 48.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.63 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -72.85 135.86 45.23 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.473 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -71.37 139.34 49.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.619 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.43 -35.71 92.42 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.71 -171.64 49.78 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.0 m -69.44 145.76 52.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 0.0 110.619 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 44.0 mtp -64.08 -40.95 97.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.145 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.6 0.67 63.79 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 34.5 mmm -65.02 -40.21 94.55 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.0 m -61.07 -41.84 97.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.675 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -62.94 -39.11 97.65 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.7 m -70.8 147.58 48.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.765 0.316 . . . . 0.0 110.509 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.18 -39.38 97.86 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 93.3 m -63.63 134.09 54.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.665 0.269 . . . . 0.0 110.44 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -168.69 171.25 42.71 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.935 -1.031 . . . . 0.0 109.979 -179.825 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.4 mtm . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.24 -177.79 38.87 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.07 -44.81 61.76 Favored Pre-proline 0 CA--C 1.544 0.723 0 CA-C-O 118.653 -0.689 . . . . 0.0 112.252 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -61.87 151.55 80.37 Favored 'Trans proline' 0 N--CA 1.501 1.925 0 CA-C-N 121.092 1.426 . . . . 0.0 111.974 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.9 t -139.51 71.74 37.74 Favored Pre-proline 0 CA--C 1.556 1.199 0 O-C-N 124.164 0.915 . . . . 0.0 110.201 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -56.54 -38.47 95.36 Favored 'Trans proline' 0 N--CA 1.502 1.982 0 C-N-CA 121.709 1.606 . . . . 0.0 112.157 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.7 163.06 67.37 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.389 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -76.71 -176.98 3.43 Favored 'Trans proline' 0 N--CA 1.5 1.86 0 C-N-CA 121.561 1.508 . . . . 0.0 111.114 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.93 170.61 10.36 Favored Pre-proline 0 CA--C 1.544 0.733 0 O-C-N 124.291 0.994 . . . . 0.0 109.755 -179.261 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -56.88 -37.82 97.31 Favored 'Trans proline' 0 N--CA 1.502 1.998 0 C-N-CA 121.343 1.362 . . . . 0.0 112.277 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.2 mt -69.67 -38.66 77.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.568 -178.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 33.55 67.77 1.11 Allowed Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 125.051 1.469 . . . . 0.0 113.131 -178.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.55 -38.03 83.36 Favored 'Trans proline' 0 N--CA 1.506 2.234 0 C-N-CA 121.951 1.767 . . . . 0.0 113.143 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -62.87 -44.27 96.56 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.99 -174.11 40.97 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.63 114.81 0.33 Allowed Glycine 0 CA--C 1.515 0.072 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -65.6 -49.06 70.13 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.67 -27.01 15.5 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -177.363 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.9 mt -114.6 118.22 57.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 O-C-N 124.359 1.037 . . . . 0.0 109.768 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.8 t -74.45 148.14 41.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.245 -0.889 . . . . 0.0 108.984 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.36 -10.51 59.46 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.3 mm -117.37 -72.88 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 O-C-N 124.714 1.259 . . . . 0.0 112.12 -177.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.82 -21.82 62.41 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -176.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.47 -15.61 61.94 Favored Glycine 0 CA--C 1.529 0.964 0 CA-C-O 118.466 -1.186 . . . . 0.0 113.547 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.7 p-10 -163.83 24.88 0.08 Allowed 'General case' 0 N--CA 1.485 1.286 0 CA-C-N 119.407 1.604 . . . . 0.0 113.963 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.5 -13.26 32.48 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 118.506 0.594 . . . . 0.0 111.503 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.68 64.12 3.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.204 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -157.12 -32.63 0.08 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.237 -1.347 . . . . 0.0 110.341 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -159.25 -83.01 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.182 0.301 . . . . 0.0 111.354 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -74.46 139.11 43.7 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -130.13 34.79 4.18 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 124.668 1.23 . . . . 0.0 108.188 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -82.78 -32.51 27.69 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.964 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.1 p -79.63 -6.53 57.29 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.421 0.451 . . . . 0.0 111.022 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -66.5 -18.36 65.32 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.624 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 57.4 mtp -80.64 133.76 35.78 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.682 0.614 . . . . 0.0 109.842 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -79.86 96.12 6.25 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.58 0.55 . . . . 0.0 110.605 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.4 mt -126.23 101.17 6.63 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 124.45 1.094 . . . . 0.0 109.889 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.4 p -69.99 -32.95 71.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.272 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -60.69 -44.69 96.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.218 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.7 m -61.22 127.77 33.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.212 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -81.17 169.03 17.89 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.463 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -64.41 99.95 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.238 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -87.3 16.94 4.74 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 123.737 0.648 . . . . 0.0 110.635 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -80.44 141.43 35.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.009 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -127.98 146.02 50.79 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 124.51 1.131 . . . . 0.0 109.856 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -73.49 102.17 3.74 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.658 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -77.13 135.55 38.57 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.136 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -69.76 130.0 41.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.229 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.6 p -78.95 164.09 24.69 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.191 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -159.87 -58.09 0.06 Allowed 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -92.54 -6.65 49.23 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 123.766 0.666 . . . . 0.0 111.175 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 49.58 93.02 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 O-C-N 124.024 0.828 . . . . 0.0 111.657 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.9 p -60.68 -170.07 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.391 0.615 . . . . 0.0 112.41 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.7 m -159.14 17.15 0.18 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.744 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -132.18 13.77 4.67 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 124.074 0.859 . . . . 0.0 111.256 -179.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 61.86 10.49 3.54 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.251 1.02 . . . . 0.0 111.528 178.435 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.3 t -85.28 117.91 24.5 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 114.488 -1.233 . . . . 0.0 108.65 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -67.29 -33.69 75.82 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -176.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -79.55 -24.14 42.33 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -177.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -61.69 -22.62 65.49 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.848 0.356 . . . . 0.0 110.686 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.2 -37.41 77.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.841 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -86.88 -54.48 4.33 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 123.796 0.685 . . . . 0.0 111.193 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -141.1 117.02 10.45 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 124.212 0.945 . . . . 0.0 109.71 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -52.98 138.97 29.04 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 123.982 0.802 . . . . 0.0 111.729 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.62 33.58 5.2 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 124.88 1.363 . . . . 0.0 110.411 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.2 mt -70.17 1.71 4.46 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.73 -0.606 . . . . 0.0 111.537 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.66 -49.3 69.13 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 121.892 -0.505 . . . . 0.0 110.795 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.0 pt -61.8 -47.39 93.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 C-N-CA 120.328 -0.549 . . . . 0.0 112.137 -178.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -63.55 129.68 41.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 118.178 0.444 . . . . 0.0 109.946 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -160.74 134.09 6.67 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.104 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -67.78 133.85 49.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.261 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -61.03 -41.3 96.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.632 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -71.69 133.56 45.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.411 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -66.08 -41.01 91.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.647 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.57 -166.15 53.16 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.74 156.38 49.25 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 86.3 p -72.42 162.03 30.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.774 0.321 . . . . 0.0 110.618 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 53.8 mtt -64.05 -40.71 96.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.177 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.91 19.58 79.75 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 18.2 ttp -62.63 -40.94 98.57 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.137 -0.319 . . . . 0.0 110.137 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.0 p -160.42 161.38 32.98 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.526 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -64.99 -35.04 91.43 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.2 p -158.64 166.66 31.54 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.636 0.257 . . . . 0.0 110.528 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.69 25.83 62.02 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.4 m -63.79 134.59 55.55 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -69.05 149.26 48.94 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 71.6 t80 . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.397 -179.778 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.8 mtp . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.84 21.63 79.62 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -162.64 70.7 2.1 Favored Pre-proline 0 CA--C 1.542 0.643 0 CA-C-O 119.489 -0.291 . . . . 0.0 111.189 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -62.48 150.58 86.96 Favored 'Trans proline' 0 N--CA 1.498 1.761 0 C-N-CA 121.056 1.17 . . . . 0.0 111.482 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.9 t -140.72 72.65 29.39 Favored Pre-proline 0 CA--C 1.553 1.078 0 O-C-N 124.064 0.852 . . . . 0.0 109.758 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -55.33 -38.46 93.79 Favored 'Trans proline' 0 N--CA 1.503 2.062 0 C-N-CA 121.738 1.625 . . . . 0.0 112.23 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -61.15 151.4 75.72 Favored Pre-proline 0 CA--C 1.548 0.874 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.664 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -71.65 -175.48 1.62 Allowed 'Trans proline' 0 N--CA 1.499 1.817 0 CA-C-N 121.318 1.507 . . . . 0.0 111.228 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -148.51 72.86 10.78 Favored Pre-proline 0 CA--C 1.544 0.74 0 O-C-N 123.762 0.664 . . . . 0.0 110.559 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -55.79 -36.01 94.52 Favored 'Trans proline' 0 N--CA 1.502 2.029 0 C-N-CA 121.778 1.652 . . . . 0.0 112.133 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 73.8 mt -66.43 -41.18 89.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.431 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -138.47 75.81 37.91 Favored Pre-proline 0 CA--C 1.552 1.029 0 O-C-N 124.335 1.022 . . . . 0.0 110.969 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -60.37 146.09 97.34 Favored 'Trans proline' 0 N--CA 1.5 1.864 0 C-N-CA 121.262 1.308 . . . . 0.0 112.183 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -71.05 142.46 50.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.415 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.42 -169.14 16.13 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.37 23.45 75.59 Favored Glycine 0 N--CA 1.461 0.348 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.04 -54.77 29.01 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -51.6 -25.64 7.31 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -177.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.6 mm -104.66 113.53 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 O-C-N 124.195 0.934 . . . . 0.0 109.704 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.5 t -75.93 150.88 37.44 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.84 -13.52 59.76 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 111.326 0.121 . . . . 0.0 111.326 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.0 mt -114.48 -78.95 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 O-C-N 124.778 1.299 . . . . 0.0 110.255 -178.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.66 -11.77 39.07 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -176.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.99 -21.27 6.96 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 118.525 -1.153 . . . . 0.0 112.83 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -165.66 20.48 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -178.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -94.59 4.02 54.37 Favored 'General case' 0 N--CA 1.5 2.067 0 CA-C-N 118.881 0.764 . . . . 0.0 111.403 176.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.09 64.41 2.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.987 0.899 . . . . 0.0 109.031 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -176.8 -29.39 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.425 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -86.25 -147.79 0.13 Allowed 'General case' 0 N--CA 1.473 0.688 0 O-C-N 123.735 0.647 . . . . 0.0 111.846 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -78.73 -1.19 33.41 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 53.69 47.85 22.86 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 123.525 0.516 . . . . 0.0 111.055 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -88.75 -34.59 17.08 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.582 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 45.1 p -79.31 -9.73 59.65 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.428 0.455 . . . . 0.0 110.498 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.97 -27.84 69.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.464 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.8 mtm -81.05 149.57 29.19 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.853 0.72 . . . . 0.0 109.87 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -79.3 109.08 13.31 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.703 0.627 . . . . 0.0 111.367 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.9 mt -78.2 147.2 34.57 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.624 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.3 m -62.81 -45.24 93.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.283 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -151.51 158.58 43.79 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.894 0.746 . . . . 0.0 109.891 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 29.3 p -139.93 160.78 39.14 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 124.33 1.019 . . . . 0.0 109.842 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -79.76 117.58 20.78 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.662 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.9 mtm-85 -64.23 -39.24 93.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.064 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -76.29 109.75 10.24 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.612 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -80.22 137.19 36.62 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.409 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -74.89 143.07 43.98 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.191 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -76.12 79.09 2.94 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.745 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 81.0 m -81.54 146.67 30.04 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.72 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -71.38 162.94 28.63 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.412 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.6 t -163.81 103.94 0.91 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.202 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -83.23 -6.53 59.51 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.731 0.644 . . . . 0.0 110.766 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 51.07 48.84 22.35 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 123.925 0.766 . . . . 0.0 110.796 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.21 -47.74 83.11 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.008 -178.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 25.0 t -160.22 155.32 24.75 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.8 p 36.92 66.63 0.4 Allowed 'General case' 0 C--N 1.348 0.503 0 O-C-N 125.29 1.619 . . . . 0.0 111.639 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -51.93 -25.81 8.97 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 114.821 -1.082 . . . . 0.0 111.418 -177.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.2 mt -63.79 -40.83 97.6 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.9 t -86.6 111.36 20.55 Favored 'General case' 0 C--N 1.348 0.513 0 N-CA-C 108.507 -0.924 . . . . 0.0 108.507 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -68.58 -32.58 72.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.879 -0.6 . . . . 0.0 112.355 -177.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -74.42 -28.28 61.0 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -177.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.37 -28.49 68.24 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.351 0.596 . . . . 0.0 110.147 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.72 -37.81 85.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.055 -178.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -91.05 -53.78 4.23 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.662 0.601 . . . . 0.0 112.023 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -131.29 114.86 15.54 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 124.591 1.182 . . . . 0.0 109.695 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -58.17 130.14 45.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.14 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.51 11.12 15.84 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 125.233 1.583 . . . . 0.0 111.186 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.4 mt -53.34 -3.2 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -177.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.46 -46.24 89.41 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 121.569 -0.707 . . . . 0.0 110.586 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 pt -60.39 -86.32 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.295 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -70.79 125.38 26.68 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.647 0.26 . . . . 0.0 110.641 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -74.25 141.54 45.36 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.61 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -153.98 144.11 22.06 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.597 0.561 . . . . 0.0 109.53 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -153.5 146.62 24.62 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.879 0.737 . . . . 0.0 110.345 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -72.8 137.73 45.98 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.609 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -66.44 -41.91 88.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.776 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.55 -135.52 0.2 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.44 -168.93 52.32 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.5 t -67.03 143.13 56.92 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.1 mmm 50.88 72.28 0.37 Allowed 'General case' 0 N--CA 1.476 0.831 0 O-C-N 123.955 0.784 . . . . 0.0 110.827 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.96 154.92 52.71 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 18.3 ttp -63.32 -40.11 96.42 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.8 m -66.53 147.79 52.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.518 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -169.07 176.1 43.28 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.3 m -60.74 -41.52 95.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.829 0.347 . . . . 0.0 110.982 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.06 -41.61 99.69 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.6 p -78.59 165.23 23.92 Favored 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -72.01 166.22 53.57 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.411 179.891 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.3 mtp . . . . . 0 N--CA 1.492 1.649 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -64.06 -41.37 98.55 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.31 171.04 12.26 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-O 118.935 -0.555 . . . . 0.0 110.457 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -60.44 145.89 97.83 Favored 'Trans proline' 0 N--CA 1.499 1.851 0 CA-C-N 120.612 1.254 . . . . 0.0 111.854 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.411 ' H ' HG22 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -80.65 151.01 70.89 Favored Pre-proline 0 CA--C 1.555 1.135 0 CA-C-O 118.85 -0.595 . . . . 0.0 111.0 -179.534 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -63.33 -26.01 71.43 Favored 'Trans proline' 0 N--CA 1.5 1.865 0 CA-C-N 121.244 1.48 . . . . 0.0 112.697 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.2 t80 51.4 71.27 1.57 Allowed Pre-proline 0 CA--C 1.549 0.923 0 O-C-N 123.844 0.715 . . . . 0.0 111.056 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -74.14 179.1 6.1 Favored 'Trans proline' 0 N--CA 1.491 1.339 0 CA-C-N 120.397 1.178 . . . . 0.0 112.552 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.449 ' H ' ' CD ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -166.97 -44.89 0.0 OUTLIER Pre-proline 0 CA--C 1.544 0.721 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.558 -179.193 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.449 ' CD ' ' H ' ' A' ' 9' ' ' ASP . 32.9 Cg_exo -59.23 -34.18 98.17 Favored 'Trans proline' 0 N--CA 1.5 1.881 0 CA-C-N 121.209 1.468 . . . . 0.0 112.259 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.4 mt -68.33 -42.18 79.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.485 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -140.46 72.59 31.07 Favored Pre-proline 0 CA--C 1.554 1.112 0 O-C-N 124.278 0.986 . . . . 0.0 110.631 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -56.95 -34.51 97.48 Favored 'Trans proline' 0 N--CA 1.504 2.095 0 C-N-CA 121.794 1.663 . . . . 0.0 111.961 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -71.02 141.29 50.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.92 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.34 -39.5 97.83 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.084 -0.807 . . . . 0.0 111.084 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.44 20.45 79.87 Favored Glycine 0 N--CA 1.46 0.288 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.93 -50.14 67.62 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.73 -24.29 2.24 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.9 mm -106.91 114.54 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 O-C-N 123.937 0.773 . . . . 0.0 110.421 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.8 t -74.93 151.02 38.91 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.48 -15.7 59.83 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 111.295 0.109 . . . . 0.0 111.295 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.1 mt -115.11 -77.91 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 O-C-N 124.743 1.277 . . . . 0.0 110.722 -178.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.41 -11.93 26.93 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -176.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.4 -18.37 8.57 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-O 118.135 -1.37 . . . . 0.0 113.203 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -166.19 18.24 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 119.456 1.628 . . . . 0.0 115.195 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -93.62 6.13 49.29 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-N 118.696 0.68 . . . . 0.0 111.304 177.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.16 64.11 4.88 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.688 0.756 . . . . 0.0 109.08 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -173.4 -11.73 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.242 178.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -147.78 -136.75 0.08 Allowed 'General case' 0 CA--C 1.546 0.818 0 O-C-N 123.373 0.421 . . . . 0.0 111.481 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -59.96 131.97 52.5 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 117.543 0.156 . . . . 0.0 110.714 -178.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -99.48 42.86 1.08 Allowed 'General case' 0 N--CA 1.465 0.296 0 O-C-N 124.535 1.147 . . . . 0.0 109.481 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -79.57 -34.83 40.56 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.248 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.7 p -79.06 -13.46 59.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.786 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -65.76 -34.34 77.96 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.221 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 36.0 mmm -75.42 145.19 41.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.272 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -68.68 140.85 55.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.627 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.7 mt -126.0 146.56 49.83 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 124.654 1.221 . . . . 0.0 109.272 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.3 p -79.93 2.65 22.64 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.598 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -151.85 158.35 43.13 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.915 0.759 . . . . 0.0 109.585 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.9 p -139.56 161.53 37.27 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 124.311 1.007 . . . . 0.0 110.151 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -65.94 137.86 57.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.405 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -64.17 -39.09 93.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.187 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -79.93 107.33 12.63 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.588 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -62.8 -46.22 89.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.756 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -73.88 141.57 46.06 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.31 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -74.06 150.27 40.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.485 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.4 t -73.09 121.85 20.87 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.382 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -77.04 97.28 4.63 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.013 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.6 p -64.47 -44.32 91.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -147.16 150.66 35.38 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 124.03 0.831 . . . . 0.0 109.527 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -79.15 45.54 0.64 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -71.05 -109.8 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 t -152.09 -158.72 0.93 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 t 38.93 48.06 1.33 Allowed 'General case' 0 C--N 1.352 0.689 0 O-C-N 124.427 1.079 . . . . 0.0 111.526 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -47.67 -29.57 3.1 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 114.196 -1.365 . . . . 0.0 111.331 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.5 mt -61.63 -46.43 89.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.415 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 19.7 t -93.33 112.45 24.38 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -70.69 -36.15 73.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.102 -178.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -71.28 -27.55 63.51 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -177.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.2 m -59.5 -25.12 64.2 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.682 0.277 . . . . 0.0 110.886 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -55.79 -43.45 76.85 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.35 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -79.36 -53.55 6.81 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.2 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -140.4 114.91 9.39 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 124.387 1.054 . . . . 0.0 109.238 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -53.02 137.93 31.85 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 124.219 0.949 . . . . 0.0 110.684 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.89 14.69 12.48 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 124.989 1.431 . . . . 0.0 110.283 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.1 mt -57.04 -3.63 0.14 Allowed 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -178.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.8 -43.28 99.22 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.816 -0.552 . . . . 0.0 111.209 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.92 -54.79 29.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.779 -178.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -56.12 -42.37 76.78 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 118.022 0.374 . . . . 0.0 110.658 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -71.89 143.61 49.3 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.232 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -70.73 133.54 46.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.159 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -71.38 133.21 45.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.725 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -66.45 -44.21 83.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -71.4 140.25 50.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.504 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 178.78 173.5 44.17 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.55 14.33 81.19 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 86.4 p -74.72 162.87 28.31 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.9 ttp -154.46 144.03 21.5 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 123.612 0.57 . . . . 0.0 109.883 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 72.04 27.49 70.25 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 34.0 mmm -63.35 -41.08 98.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.332 . . . . 0.0 110.284 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.2 p -62.24 -36.05 80.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.778 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.15 -132.36 33.43 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 84.8 p -67.54 156.59 36.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 110.589 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -65.76 164.28 39.12 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 m -74.62 133.37 42.17 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.26 10.75 81.97 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 79.3 t80 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.296 179.75 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.7 mtp . . . . . 0 N--CA 1.492 1.674 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -66.67 -39.55 93.77 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.99 72.9 1.46 Allowed Pre-proline 0 CA--C 1.543 0.706 0 CA-C-O 119.367 -0.349 . . . . 0.0 110.569 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -59.88 143.95 99.53 Favored 'Trans proline' 0 N--CA 1.498 1.755 0 C-N-CA 121.29 1.327 . . . . 0.0 111.232 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.9 t 54.05 68.72 2.58 Favored Pre-proline 0 CA--C 1.556 1.21 0 O-C-N 123.632 0.583 . . . . 0.0 110.516 -179.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -54.45 -44.97 44.51 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 121.053 1.169 . . . . 0.0 112.614 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -154.43 150.19 21.62 Favored Pre-proline 0 CA--C 1.55 0.98 0 O-C-N 124.242 0.964 . . . . 0.0 110.02 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.37 1.35 6.86 Favored 'Trans proline' 0 N--CA 1.496 1.645 0 CA-C-N 121.201 1.465 . . . . 0.0 112.577 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -149.32 73.11 10.02 Favored Pre-proline 0 CA--C 1.55 0.946 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.43 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -62.47 -23.0 74.75 Favored 'Trans proline' 0 N--CA 1.501 1.963 0 C-N-CA 121.604 1.536 . . . . 0.0 112.207 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.8 mt -59.75 -37.42 78.94 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.783 -178.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 50.78 70.65 1.88 Allowed Pre-proline 0 CA--C 1.548 0.88 0 O-C-N 124.207 0.942 . . . . 0.0 110.812 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -60.1 143.74 99.53 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 121.117 1.212 . . . . 0.0 112.0 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.24 -37.83 88.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.2 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.45 -172.11 48.45 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.64 122.04 0.62 Allowed Glycine 0 N--CA 1.458 0.147 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -68.76 -50.35 51.2 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -48.86 -27.85 3.34 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.18 0.925 . . . . 0.0 113.448 -178.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.5 mt -110.1 112.92 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 O-C-N 124.593 1.183 . . . . 0.0 109.566 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.4 t -69.29 148.54 49.61 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 177.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.85 -12.68 60.21 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.404 0.149 . . . . 0.0 111.404 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.6 mm -116.4 -77.6 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 124.94 1.4 . . . . 0.0 111.38 -178.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -66.3 -9.66 34.97 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -176.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.2 -20.84 5.45 Favored Glycine 0 CA--C 1.521 0.457 0 CA-C-O 118.377 -1.235 . . . . 0.0 113.526 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -167.05 16.74 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 119.458 1.629 . . . . 0.0 114.413 -179.379 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -93.48 7.09 45.92 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 118.225 0.466 . . . . 0.0 110.265 177.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.26 -61.65 1.97 Allowed 'General case' 0 C--O 1.233 0.214 0 O-C-N 124.724 1.265 . . . . 0.0 108.808 -179.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.84 -45.89 80.54 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.415 178.703 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.09 -175.31 1.14 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.096 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -55.84 138.4 48.32 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.866 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -88.46 40.94 0.99 Allowed 'General case' 0 C--N 1.344 0.344 0 O-C-N 124.034 0.834 . . . . 0.0 110.291 -178.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -82.75 -33.92 27.29 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.173 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.8 p -79.5 -10.71 59.85 Favored 'General case' 0 C--O 1.225 -0.188 0 O-C-N 123.595 0.559 . . . . 0.0 110.761 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.52 -36.64 83.19 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.428 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 63.5 mtt -69.04 -43.0 75.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.752 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -81.23 142.16 33.44 Favored 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.599 0.562 . . . . 0.0 110.84 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.0 mt -93.59 17.37 11.8 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 123.975 0.797 . . . . 0.0 109.736 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.8 p -82.7 163.9 21.04 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.798 0.686 . . . . 0.0 110.439 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -78.44 147.73 33.88 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.331 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.9 m -59.88 127.01 29.8 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.495 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -84.33 119.44 25.09 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.766 0.666 . . . . 0.0 110.802 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -68.89 140.37 55.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.116 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -69.02 137.71 53.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.935 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -62.07 -49.08 77.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.876 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -67.03 131.62 46.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.865 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -150.1 2.75 0.51 Allowed 'General case' 0 N--CA 1.471 0.594 0 O-C-N 123.915 0.759 . . . . 0.0 110.192 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.0 m -61.56 -46.36 90.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 62.8 tt0 -77.41 138.42 39.27 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.77 106.01 0.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.56 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -77.36 -49.71 14.34 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.095 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -163.7 104.28 0.93 Allowed 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.378 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -74.77 67.74 1.64 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.605 0.717 . . . . 0.0 109.483 179.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 13.3 m -70.56 -72.54 0.2 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.515 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 75.8 m -94.34 76.11 3.92 Favored 'General case' 0 C--N 1.342 0.282 0 O-C-N 124.128 0.893 . . . . 0.0 110.685 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -49.13 -27.38 3.42 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 115.025 -0.988 . . . . 0.0 111.708 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 32.0 mt -65.11 -43.99 90.25 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 10.9 t -92.49 112.44 24.39 Favored 'General case' 0 C--N 1.348 0.501 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -68.14 -31.38 70.92 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.413 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -75.12 -29.05 60.44 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.073 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.8 -23.91 65.4 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-O 120.672 0.273 . . . . 0.0 110.802 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -57.43 -35.44 70.09 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.873 -178.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -93.57 -52.86 4.29 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.023 0.827 . . . . 0.0 111.521 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -137.78 117.3 12.92 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 124.427 1.079 . . . . 0.0 109.998 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.5 mmtt -54.68 137.78 43.22 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.273 0.983 . . . . 0.0 111.183 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.16 22.12 8.72 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 124.943 1.402 . . . . 0.0 110.489 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.6 mt -62.38 1.17 0.37 Allowed 'General case' 0 N--CA 1.481 1.08 0 O-C-N 121.229 -0.92 . . . . 0.0 113.194 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.48 -45.4 69.06 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 121.7 -0.625 . . . . 0.0 110.974 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.3 pt -62.29 -42.83 96.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 120.479 -0.488 . . . . 0.0 111.657 -178.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -58.21 -46.11 86.43 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 117.703 0.229 . . . . 0.0 110.609 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 -75.8 130.61 38.87 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.591 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -64.73 -45.14 87.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.522 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -74.27 127.99 34.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.619 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -62.89 -48.43 79.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -77.41 146.67 36.45 Favored 'General case' 0 C--O 1.232 0.136 0 O-C-N 123.46 0.475 . . . . 0.0 110.235 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.65 22.9 78.6 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.55 -40.54 99.25 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.7 t -72.16 142.42 49.08 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 55.0 mtp -71.55 142.82 50.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.507 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.93 161.1 54.07 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.856 -0.897 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 31.7 mmm -75.97 146.41 39.61 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.6 p -159.46 161.4 35.46 Favored 'General case' 0 C--O 1.232 0.18 0 O-C-N 123.606 0.566 . . . . 0.0 110.421 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.67 18.62 80.03 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 78.3 p -62.47 -40.11 95.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.662 0.268 . . . . 0.0 110.674 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -168.21 169.92 41.75 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 16.5 p -66.32 -32.54 74.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.811 0.339 . . . . 0.0 110.528 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.26 -37.69 95.28 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 54.9 t80 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.458 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.4 mtp . . . . . 0 N--CA 1.492 1.662 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.39 -40.49 96.41 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -163.85 72.45 1.77 Allowed Pre-proline 0 CA--C 1.545 0.784 0 CA-C-O 119.363 -0.351 . . . . 0.0 110.818 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -59.63 145.97 96.61 Favored 'Trans proline' 0 N--CA 1.499 1.821 0 C-N-CA 121.459 1.439 . . . . 0.0 111.703 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.2 t -73.5 121.97 86.45 Favored Pre-proline 0 CA--C 1.569 1.69 0 CA-C-O 117.85 -1.071 . . . . 0.0 110.04 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -54.41 -38.65 89.45 Favored 'Trans proline' 0 N--CA 1.507 2.276 0 CA-C-N 122.467 1.917 . . . . 0.0 112.769 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -60.65 150.6 74.78 Favored Pre-proline 0 CA--C 1.55 0.975 0 CA-C-O 118.512 -0.756 . . . . 0.0 109.761 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -72.21 -173.27 1.06 Allowed 'Trans proline' 0 N--CA 1.499 1.842 0 CA-C-N 121.442 1.551 . . . . 0.0 111.065 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -146.12 70.16 13.16 Favored Pre-proline 0 CA--C 1.546 0.813 0 O-C-N 123.711 0.632 . . . . 0.0 110.518 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -76.86 -7.71 17.58 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 121.571 1.514 . . . . 0.0 112.076 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.38 -40.87 97.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.835 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 50.03 73.34 1.01 Allowed Pre-proline 0 CA--C 1.547 0.85 0 O-C-N 124.026 0.829 . . . . 0.0 110.76 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_exo -58.37 144.3 96.49 Favored 'Trans proline' 0 N--CA 1.5 1.86 0 C-N-CA 121.325 1.35 . . . . 0.0 112.128 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -60.59 -32.37 71.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.278 -179.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.5 -35.33 88.73 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.18 142.76 1.25 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -80.11 -50.43 10.33 Favored 'General case' 0 C--O 1.223 -0.3 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.43 -51.18 69.79 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -178.456 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.9 mt -99.69 110.37 26.71 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.45 0 O-C-N 123.998 0.811 . . . . 0.0 109.643 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.3 t -73.24 143.38 47.12 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 177.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.46 -14.63 61.39 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -177.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.8 mt -114.49 -71.08 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 O-C-N 124.67 1.231 . . . . 0.0 111.923 -176.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -80.52 -19.74 45.11 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 -175.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.77 -10.11 20.18 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-O 118.57 -1.128 . . . . 0.0 113.317 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -155.16 15.88 0.41 Allowed 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 -177.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.28 -39.41 20.87 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.873 -0.517 . . . . 0.0 109.771 176.281 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.26 -29.58 63.94 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.117 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -65.26 -35.4 80.92 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.365 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -128.28 -113.02 0.27 Allowed 'General case' 0 CA--C 1.552 1.055 0 O-C-N 124.279 0.987 . . . . 0.0 112.012 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -88.92 167.94 12.8 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 123.224 0.61 . . . . 0.0 111.349 -178.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -122.9 66.12 0.97 Allowed 'General case' 0 C--N 1.349 0.568 0 O-C-N 124.368 1.043 . . . . 0.0 110.48 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -102.95 -36.49 8.18 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 124.544 1.152 . . . . 0.0 111.54 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.9 p -84.43 -6.25 59.36 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 123.781 0.675 . . . . 0.0 110.334 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.24 -32.02 72.66 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.978 0.418 . . . . 0.0 110.464 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.4 mmm -64.03 -41.31 97.46 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.619 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -82.2 113.28 19.92 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 123.653 0.596 . . . . 0.0 111.273 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.7 mt -85.83 130.65 34.49 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.238 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.1 t -156.46 155.22 31.68 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.624 0.577 . . . . 0.0 110.5 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -158.78 118.14 3.08 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.568 0.543 . . . . 0.0 110.212 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.1 t -157.54 153.08 26.38 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.434 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -80.94 120.41 24.71 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.607 0.567 . . . . 0.0 109.693 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -72.41 137.53 46.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.794 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -71.2 141.39 50.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.882 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -62.23 -43.38 98.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.237 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -67.13 134.94 52.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.709 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -151.6 149.85 29.63 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 124.004 0.815 . . . . 0.0 110.139 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 91.9 m -64.27 -39.27 93.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.396 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -131.96 141.52 49.33 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 124.244 0.965 . . . . 0.0 110.227 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.6 p -163.96 155.33 16.26 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.232 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -140.12 142.22 36.05 Favored 'General case' 0 C--N 1.343 0.284 0 O-C-N 124.184 0.927 . . . . 0.0 108.922 179.133 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -100.13 -1.77 35.83 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 124.195 0.934 . . . . 0.0 109.892 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.36 -40.48 96.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.553 -178.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 47.4 m -108.68 172.5 6.81 Favored 'General case' 0 C--N 1.345 0.403 0 O-C-N 124.193 0.933 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.7 p -55.04 -21.51 12.58 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.612 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 t0 73.38 -7.61 1.5 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.218 1.007 . . . . 0.0 111.28 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.0 mt -66.27 -44.6 83.15 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 t -90.8 133.47 35.18 Favored 'General case' 0 C--N 1.347 0.462 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 178.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -76.19 -39.14 55.48 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -176.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -79.28 -20.06 48.99 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -177.183 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.6 m -68.86 -27.32 65.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.384 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -50.58 -37.81 41.97 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.977 0.798 . . . . 0.0 111.91 -177.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -91.3 -53.5 4.32 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.994 0.809 . . . . 0.0 111.506 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -142.44 116.11 9.18 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 124.233 0.958 . . . . 0.0 110.155 -178.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -46.89 144.93 2.21 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 124.321 1.013 . . . . 0.0 112.594 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.03 22.15 9.62 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 124.718 1.261 . . . . 0.0 110.433 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.79 8.03 0.1 Allowed 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.12 -38.22 90.28 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 121.308 -0.87 . . . . 0.0 110.399 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.82 -71.03 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 O-C-N 123.457 0.473 . . . . 0.0 111.542 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -74.94 123.05 24.42 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.048 0.452 . . . . 0.0 111.011 178.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -68.7 -42.32 77.91 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.043 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 59.51 100.19 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 121.869 0.842 . . . . 0.0 110.43 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -72.8 138.89 46.69 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.394 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -71.07 136.42 48.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.501 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -65.4 -43.7 89.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.475 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.66 -176.11 29.08 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.87 -172.84 42.74 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.7 p -73.81 166.71 22.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.812 0.339 . . . . 0.0 110.476 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 33.0 mmm -63.25 -40.61 97.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.319 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.57 134.68 22.7 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 50.1 mtt -64.69 -40.04 94.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.372 . . . . 0.0 110.3 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.3 p -61.9 -39.17 91.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.005 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.3 19.65 78.07 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.9 t -62.06 -43.45 98.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.829 0.347 . . . . 0.0 110.584 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -173.46 -176.62 42.08 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -155.93 158.95 38.81 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.821 0.343 . . . . 0.0 111.172 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -69.7 151.7 50.82 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.087 -0.959 . . . . 0.0 110.508 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.0 mtp . . . . . 0 N--CA 1.493 1.687 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -62.83 -39.6 98.2 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 50.05 69.59 2.55 Favored Pre-proline 0 CA--C 1.544 0.735 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -58.91 144.43 98.93 Favored 'Trans proline' 0 N--CA 1.499 1.819 0 C-N-CA 121.188 1.259 . . . . 0.0 111.861 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -137.29 72.12 52.64 Favored Pre-proline 0 CA--C 1.56 1.35 0 O-C-N 124.187 0.929 . . . . 0.0 109.678 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -56.41 -41.66 73.86 Favored 'Trans proline' 0 N--CA 1.502 1.981 0 C-N-CA 121.72 1.613 . . . . 0.0 112.68 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -164.26 87.25 1.14 Allowed Pre-proline 0 CA--C 1.553 1.065 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.813 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -84.32 -175.39 2.15 Favored 'Trans proline' 0 N--CA 1.497 1.69 0 C-N-CA 122.052 1.834 . . . . 0.0 111.393 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -150.63 73.7 8.85 Favored Pre-proline 0 CA--C 1.545 0.781 0 O-C-N 123.74 0.65 . . . . 0.0 110.157 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -57.08 -28.97 81.32 Favored 'Trans proline' 0 N--CA 1.503 2.077 0 C-N-CA 122.038 1.825 . . . . 0.0 111.83 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.67 -38.59 88.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.427 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 51.41 70.8 1.76 Allowed Pre-proline 0 CA--C 1.547 0.838 0 O-C-N 124.014 0.821 . . . . 0.0 111.219 -179.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -58.35 143.33 97.64 Favored 'Trans proline' 0 N--CA 1.497 1.735 0 C-N-CA 121.392 1.395 . . . . 0.0 112.188 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.04 -39.53 93.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.195 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.74 -177.2 48.04 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -168.63 164.51 38.1 Favored Glycine 0 N--CA 1.461 0.335 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -65.58 -50.64 64.36 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -48.22 -25.06 1.36 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -178.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.7 mt -107.13 112.53 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 124.158 0.911 . . . . 0.0 109.167 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.6 t -72.6 151.87 42.1 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.79 -14.41 59.59 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 122.41 -0.181 . . . . 0.0 111.262 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.0 mt -114.71 -78.23 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 O-C-N 124.852 1.345 . . . . 0.0 110.213 -178.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.39 -10.16 15.63 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -176.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.46 -18.69 5.35 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-O 118.247 -1.307 . . . . 0.0 112.841 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -165.78 18.92 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.486 HD22 ' N ' ' A' ' 26' ' ' ASN . 1.4 m-80 -93.93 3.3 55.57 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-N 119.282 0.946 . . . . 0.0 112.016 177.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.94 64.72 2.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.924 0.869 . . . . 0.0 109.584 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -174.86 -16.94 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.111 -0.949 . . . . 0.0 111.037 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -132.6 -143.94 0.23 Allowed 'General case' 0 N--CA 1.478 0.953 0 O-C-N 124.177 0.923 . . . . 0.0 110.932 -178.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -65.16 138.08 58.04 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -96.92 45.15 1.05 Allowed 'General case' 0 CA--C 1.532 0.268 0 O-C-N 124.479 1.112 . . . . 0.0 109.902 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -83.04 -33.55 26.45 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.295 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.5 p -78.9 -15.3 58.51 Favored 'General case' 0 CA--C 1.517 -0.309 0 O-C-N 123.52 0.513 . . . . 0.0 110.323 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -64.52 -40.0 94.81 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.343 -0.543 . . . . 0.0 109.858 -179.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 47.1 mtp -66.98 -41.41 86.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.653 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -74.91 136.47 41.43 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.272 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.5 mt -79.69 144.05 34.04 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.425 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.6 p -77.61 163.97 25.76 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.215 0.322 . . . . 0.0 110.418 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -81.46 142.03 33.32 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.675 0.609 . . . . 0.0 110.968 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.7 p -66.45 -34.13 77.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.129 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -72.81 156.63 38.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.618 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -64.95 133.55 52.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.06 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -72.96 143.28 47.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -76.1 140.36 41.8 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.477 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -70.38 136.74 49.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.901 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -73.48 130.09 39.37 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.002 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 94.8 m -66.92 -39.23 87.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.759 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -66.67 139.49 57.86 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.3 p -163.91 160.86 22.55 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -140.97 145.0 35.42 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 124.273 0.983 . . . . 0.0 110.134 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -73.12 -6.92 48.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.862 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -57.51 -72.07 0.09 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.478 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 13.8 t -96.76 -125.93 0.14 Allowed 'General case' 0 N--CA 1.475 0.811 0 O-C-N 123.994 0.809 . . . . 0.0 110.63 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 92.6 p -126.1 -123.8 0.24 Allowed 'General case' 0 C--N 1.35 0.628 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -146.64 -9.88 0.47 Allowed 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.364 0.415 . . . . 0.0 111.242 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.3 mt -64.6 -54.39 32.81 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.3 t -94.44 110.56 22.33 Favored 'General case' 0 C--N 1.342 0.277 0 O-C-N 123.903 0.752 . . . . 0.0 109.295 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -69.99 -32.01 69.99 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -75.05 -25.95 59.04 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -177.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.2 m -60.47 -28.12 68.08 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.65 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -59.2 -40.45 85.81 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.702 -178.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -84.6 -53.07 5.65 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 123.672 0.608 . . . . 0.0 111.544 -179.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -136.72 115.75 12.39 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 124.511 1.132 . . . . 0.0 109.548 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -54.83 134.63 48.11 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.83 0.706 . . . . 0.0 111.392 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.72 10.8 10.37 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 124.88 1.362 . . . . 0.0 110.509 179.195 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.2 mt -56.63 -2.22 0.07 Allowed 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -177.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.25 -41.64 94.1 Favored 'General case' 0 C--O 1.232 0.158 0 O-C-N 121.402 -0.812 . . . . 0.0 111.371 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -58.38 -57.77 9.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -178.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -56.28 -41.93 76.66 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 117.923 0.329 . . . . 0.0 111.232 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 54.5 m80 -72.22 141.54 49.0 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.83 0.348 . . . . 0.0 110.511 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -68.05 140.62 56.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.45 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -65.85 -36.73 84.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.732 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -60.12 -46.44 89.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.062 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -67.03 -41.21 86.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.834 0.35 . . . . 0.0 110.483 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.31 -170.73 47.49 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.67 -37.28 94.49 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 36.5 p -160.6 162.51 32.83 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.831 0.348 . . . . 0.0 110.538 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 45.0 mtp -64.54 -39.92 94.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.87 -178.09 49.05 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 34.3 mmm -64.36 -40.57 96.12 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.5 -0.185 . . . . 0.0 110.5 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.9 p -160.55 162.75 33.03 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.563 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.91 157.46 53.5 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.7 p -73.58 162.21 29.48 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.784 0.326 . . . . 0.0 110.657 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.63 155.8 53.35 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.8 p -75.9 164.64 25.99 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.801 0.334 . . . . 0.0 110.426 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.69 -40.11 98.21 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.592 179.882 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.7 mmm . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.94 171.43 48.04 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -163.97 70.94 1.72 Allowed Pre-proline 0 CA--C 1.545 0.783 0 CA-C-O 119.428 -0.32 . . . . 0.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -60.28 145.61 98.23 Favored 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 121.16 1.24 . . . . 0.0 111.832 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -79.87 153.37 75.23 Favored Pre-proline 0 CA--C 1.552 1.054 0 CA-C-O 117.744 -1.122 . . . . 0.0 110.499 -179.052 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -51.41 -38.73 63.84 Favored 'Trans proline' 0 N--CA 1.508 2.362 0 C-N-CA 121.939 1.76 . . . . 0.0 112.509 178.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -70.83 149.74 95.12 Favored Pre-proline 0 CA--C 1.555 1.135 0 CA-C-O 118.481 -0.771 . . . . 0.0 109.758 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.13 -174.59 1.42 Allowed 'Trans proline' 0 N--CA 1.502 1.984 0 CA-C-N 121.554 1.591 . . . . 0.0 111.597 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -149.79 73.32 9.6 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 123.136 0.574 . . . . 0.0 110.463 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -79.45 1.14 9.45 Favored 'Trans proline' 0 N--CA 1.494 1.532 0 C-N-CA 122.191 1.927 . . . . 0.0 111.961 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 81.4 mt -72.11 -43.1 65.27 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.115 179.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -58.07 -59.4 13.4 Favored Pre-proline 0 CA--C 1.543 0.687 0 CA-C-O 118.325 -0.845 . . . . 0.0 112.056 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.38 142.33 97.64 Favored 'Trans proline' 0 N--CA 1.497 1.715 0 CA-C-N 121.168 1.453 . . . . 0.0 112.527 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -61.78 -44.74 96.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.797 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.99 -166.85 54.41 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.04 158.67 53.12 Favored Glycine 0 N--CA 1.46 0.252 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -65.59 -50.39 65.29 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.15 -24.55 0.46 Allowed 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -179.041 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.9 mt -106.65 113.79 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 O-C-N 124.28 0.988 . . . . 0.0 109.675 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.0 t -73.0 153.07 41.07 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 177.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.4 -15.83 58.26 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.828 -0.169 . . . . 0.0 111.101 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.1 mt -114.45 -79.03 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 124.752 1.282 . . . . 0.0 109.694 -178.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.07 -8.41 5.35 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -177.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.65 -19.62 3.95 Favored Glycine 0 CA--C 1.524 0.638 0 CA-C-O 118.541 -1.144 . . . . 0.0 113.161 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -166.53 17.15 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 115.389 1.625 . . . . 0.0 115.389 -178.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.499 HD22 ' N ' ' A' ' 26' ' ' ASN . 1.1 m-80 -94.1 11.31 30.37 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 118.947 0.794 . . . . 0.0 111.285 177.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.87 63.51 6.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.231 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -178.18 -12.26 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.09 178.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -134.56 -153.58 0.53 Allowed 'General case' 0 N--CA 1.477 0.917 0 O-C-N 123.813 0.696 . . . . 0.0 111.519 -178.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -56.99 123.07 13.89 Favored 'General case' 0 C--N 1.342 0.251 0 C-N-CA 122.445 0.298 . . . . 0.0 111.306 -178.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -83.88 46.71 1.21 Allowed 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.69 0.619 . . . . 0.0 110.454 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -85.56 -32.76 21.96 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.35 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.9 p -79.27 -14.59 58.93 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.292 -179.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -64.9 -36.86 85.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.337 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 44.6 mtp -65.48 -41.91 92.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.785 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -167.24 150.92 6.53 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.737 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.9 mt -86.25 17.72 3.54 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 123.73 0.644 . . . . 0.0 110.21 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.0 p -68.27 -42.59 79.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.596 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -82.52 135.06 35.19 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.779 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.0 p -119.29 132.43 55.9 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 124.416 1.073 . . . . 0.0 109.725 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -85.09 109.24 18.1 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.837 0.71 . . . . 0.0 110.653 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -78.55 134.71 37.22 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.617 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -76.26 141.74 41.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.87 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -76.6 108.6 9.71 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.347 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -79.61 -0.69 34.78 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.575 0.547 . . . . 0.0 109.879 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -61.99 -43.58 98.54 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.128 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -165.42 141.72 5.43 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.293 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -125.52 119.07 27.19 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 124.452 1.095 . . . . 0.0 110.256 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.3 m -62.0 -41.31 97.92 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.658 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -148.08 156.47 42.65 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 124.232 0.958 . . . . 0.0 109.454 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -87.25 78.93 8.7 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 124.013 0.821 . . . . 0.0 110.47 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 50.49 99.03 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 O-C-N 124.282 0.989 . . . . 0.0 110.899 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 18.3 m -84.11 -78.37 0.24 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.745 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.1 m -57.96 -41.01 81.97 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.496 -178.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 71.31 49.41 0.32 Allowed 'General case' 0 N--CA 1.468 0.471 0 O-C-N 125.104 1.503 . . . . 0.0 112.151 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 pp -165.24 -39.79 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.671 178.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 11.3 t -94.64 133.75 37.95 Favored 'General case' 0 C--N 1.346 0.418 0 O-C-N 124.462 1.101 . . . . 0.0 108.701 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -79.49 -43.85 22.39 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -177.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -74.8 -22.89 58.49 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -177.393 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.6 m -61.49 -20.54 63.3 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.924 0.393 . . . . 0.0 110.812 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -59.19 -41.86 89.51 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -178.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -92.5 -49.14 6.28 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.985 0.803 . . . . 0.0 111.693 -178.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -138.36 120.59 15.79 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 124.59 1.181 . . . . 0.0 109.721 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -56.91 138.97 53.09 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 124.026 0.829 . . . . 0.0 110.711 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.44 12.14 11.56 Favored 'General case' 0 C--O 1.212 -0.913 0 O-C-N 125.062 1.476 . . . . 0.0 110.645 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.0 mp -55.53 -3.84 0.08 Allowed 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 -177.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.6 -41.32 98.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.474 -0.766 . . . . 0.0 111.012 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.91 -55.31 24.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.594 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -56.73 -41.64 77.85 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 117.992 0.36 . . . . 0.0 110.902 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -72.16 141.22 49.09 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.633 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -70.7 153.34 42.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.394 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -66.73 -38.27 86.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.678 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -60.59 -45.66 93.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -66.21 -40.38 90.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.603 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.74 -34.57 90.07 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.51 149.45 48.46 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 78.0 p -64.63 -26.27 68.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.806 0.336 . . . . 0.0 110.418 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 47.7 mtp -64.27 -41.36 96.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.334 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.97 -39.25 96.33 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 54.0 mtp -75.06 140.73 43.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.825 0.345 . . . . 0.0 110.377 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.7 p -62.4 -39.59 93.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.759 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.87 -131.99 46.26 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.5 t -66.85 144.71 56.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.748 0.309 . . . . 0.0 110.594 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.29 153.46 51.86 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.8 p -66.65 -32.83 74.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.858 0.361 . . . . 0.0 110.475 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.46 -36.84 93.72 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 . . . . . 0 N--CA 1.469 0.486 0 CA-C-O 118.161 -0.923 . . . . 0.0 110.436 -179.508 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.7 mtp . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.03 162.53 54.11 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -163.6 71.94 1.83 Allowed Pre-proline 0 CA--C 1.544 0.735 0 CA-C-O 119.501 -0.285 . . . . 0.0 110.785 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -60.42 145.98 97.63 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 121.15 1.233 . . . . 0.0 111.773 179.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -137.52 72.31 50.77 Favored Pre-proline 0 CA--C 1.56 1.365 0 O-C-N 124.072 0.858 . . . . 0.0 109.807 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -56.08 -40.19 86.45 Favored 'Trans proline' 0 N--CA 1.504 2.119 0 C-N-CA 121.732 1.621 . . . . 0.0 112.398 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -63.9 153.96 82.8 Favored Pre-proline 0 CA--C 1.545 0.782 0 CA-C-O 118.345 -0.836 . . . . 0.0 109.262 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -75.33 6.75 3.34 Favored 'Trans proline' 0 N--CA 1.5 1.894 0 CA-C-N 121.396 1.534 . . . . 0.0 112.703 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.3 t70 53.17 67.73 3.54 Favored Pre-proline 0 CA--C 1.547 0.834 0 O-C-N 123.845 0.716 . . . . 0.0 111.295 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -76.06 -12.98 19.43 Favored 'Trans proline' 0 N--CA 1.496 1.656 0 C-N-CA 121.654 1.569 . . . . 0.0 112.57 -178.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.55 -41.18 98.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.483 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 49.59 69.99 2.34 Favored Pre-proline 0 CA--C 1.549 0.92 0 O-C-N 123.964 0.79 . . . . 0.0 111.036 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -55.11 -36.71 93.61 Favored 'Trans proline' 0 N--CA 1.504 2.138 0 C-N-CA 121.834 1.689 . . . . 0.0 112.558 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.76 -38.45 91.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.256 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.99 -41.34 99.92 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.22 99.17 0.02 OUTLIER Glycine 0 N--CA 1.462 0.385 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.23 -53.36 50.43 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -49.65 -25.5 2.91 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -178.057 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.5 mt -107.96 114.51 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 O-C-N 124.32 1.012 . . . . 0.0 109.532 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.1 t -73.49 151.3 41.09 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.81 -14.54 59.55 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 111.244 0.09 . . . . 0.0 111.244 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.3 mt -114.95 -78.53 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 O-C-N 124.72 1.262 . . . . 0.0 110.099 -178.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.15 -9.32 10.47 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.73 -19.29 5.14 Favored Glycine 0 CA--C 1.527 0.801 0 CA-C-O 118.205 -1.331 . . . . 0.0 113.063 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -165.98 18.27 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 115.61 1.708 . . . . 0.0 115.61 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -94.54 9.41 38.69 Favored 'General case' 0 N--CA 1.503 2.201 0 CA-C-N 119.489 1.04 . . . . 0.0 112.084 178.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.26 66.18 9.42 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.39 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -140.29 -41.01 0.42 Allowed 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 114.673 -1.149 . . . . 0.0 109.751 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -158.62 -68.78 0.09 Allowed 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -79.41 140.46 37.41 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -178.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -125.0 42.99 3.15 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 124.702 1.251 . . . . 0.0 109.607 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -80.48 -36.12 33.86 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.698 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.6 p -79.67 -12.61 59.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.948 -178.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -65.43 -35.9 82.32 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.282 -179.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 47.9 mtm -67.12 -41.97 85.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.539 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -164.77 137.96 4.82 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.6 mt -73.05 147.07 45.38 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 m -78.23 125.49 29.43 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.557 0.536 . . . . 0.0 110.262 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -63.1 -48.83 76.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 m -73.66 131.51 41.73 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.183 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -144.29 17.64 1.71 Allowed 'General case' 0 N--CA 1.474 0.74 0 O-C-N 123.919 0.762 . . . . 0.0 109.974 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -69.53 -40.29 77.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.972 179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -71.0 149.12 46.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.523 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -70.58 143.58 51.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.776 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.71 -41.61 99.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.351 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -156.95 105.88 2.2 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.587 0.555 . . . . 0.0 110.471 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 94.0 m -65.72 -40.49 92.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.676 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -70.13 150.11 46.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.189 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.7 p -160.77 162.1 32.31 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.546 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -154.74 -39.32 0.09 Allowed 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.85 0.719 . . . . 0.0 109.935 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -148.1 90.32 1.81 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 124.092 0.87 . . . . 0.0 110.309 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -77.68 62.36 2.56 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.761 0.791 . . . . 0.0 109.792 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 6.3 m -69.82 -68.63 0.4 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.833 -179.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.0 m -99.94 81.36 2.42 Favored 'General case' 0 CA--C 1.512 -0.509 0 O-C-N 124.253 0.971 . . . . 0.0 110.718 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -53.51 -26.46 20.93 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.3 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.1 mt -63.45 -44.9 93.17 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 9.8 t -92.54 115.99 28.6 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 124.061 0.85 . . . . 0.0 109.362 178.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -66.8 -37.24 84.15 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -177.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -73.7 -27.46 61.22 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -178.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.5 m -62.38 -17.27 58.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.728 0.299 . . . . 0.0 111.248 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -61.31 -42.29 98.42 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -178.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -112.23 -42.83 3.64 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.184 0.927 . . . . 0.0 112.433 -178.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -115.78 108.09 15.89 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 124.308 1.005 . . . . 0.0 110.282 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -64.37 131.93 48.64 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.544 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.27 10.33 14.78 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 125.208 1.567 . . . . 0.0 110.715 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.3 mt -54.71 -2.45 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -177.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.95 -46.31 85.26 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.413 -0.804 . . . . 0.0 110.705 179.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.2 pt -61.33 -85.2 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.601 -178.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -68.78 129.78 40.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.754 0.312 . . . . 0.0 110.946 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -73.19 137.66 45.2 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.653 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -73.25 138.69 45.69 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.987 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -72.61 136.46 45.74 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.498 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -73.01 133.59 44.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.78 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -66.43 -40.34 89.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.367 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.44 -36.8 93.86 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.0 164.85 46.3 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.2 p -159.58 162.85 35.4 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.893 0.378 . . . . 0.0 110.552 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 47.1 mtp -64.53 -40.66 96.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.333 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 76.54 -0.39 64.87 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 34.0 mmm -65.32 -39.55 92.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 0.0 110.42 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.3 t -64.36 144.42 57.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.761 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -63.48 -37.06 94.21 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 97.6 p -76.37 -2.83 33.74 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.66 0.267 . . . . 0.0 110.81 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.28 -33.01 82.86 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.6 t -65.37 144.28 57.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.881 0.372 . . . . 0.0 110.885 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 70.47 -163.18 53.2 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.614 179.93 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.9 mtp . . . . . 0 N--CA 1.493 1.7 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.43 171.85 43.8 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.06 71.8 1.7 Allowed Pre-proline 0 CA--C 1.545 0.751 0 CA-C-O 119.509 -0.281 . . . . 0.0 110.612 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -59.9 145.64 97.79 Favored 'Trans proline' 0 N--CA 1.498 1.794 0 C-N-CA 121.334 1.356 . . . . 0.0 111.972 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.1 m -137.04 72.7 53.46 Favored Pre-proline 0 CA--C 1.559 1.318 0 O-C-N 124.284 0.99 . . . . 0.0 109.764 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -55.76 -41.32 78.68 Favored 'Trans proline' 0 N--CA 1.503 2.042 0 C-N-CA 121.775 1.65 . . . . 0.0 112.465 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -82.16 176.66 3.61 Favored Pre-proline 0 N--CA 1.471 0.579 0 O-C-N 123.96 0.788 . . . . 0.0 109.039 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.35 -164.32 0.03 OUTLIER 'Trans proline' 0 N--CA 1.504 2.1 0 CA-C-N 121.33 1.511 . . . . 0.0 113.526 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -151.04 76.51 7.89 Favored Pre-proline 0 CA--C 1.548 0.886 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.705 -179.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -81.49 -8.4 12.61 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 122.017 1.812 . . . . 0.0 111.712 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.8 mt -64.93 -41.23 95.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.562 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -58.85 -64.51 2.84 Favored Pre-proline 0 CA--C 1.547 0.856 0 CA-C-O 118.171 -0.918 . . . . 0.0 112.755 -178.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -58.4 144.74 96.05 Favored 'Trans proline' 0 N--CA 1.502 1.975 0 CA-C-N 121.784 1.673 . . . . 0.0 112.9 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -70.05 145.53 51.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.518 -178.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.97 152.9 52.67 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.83 161.2 52.97 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -74.67 -51.56 14.04 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -60.55 -49.27 78.23 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.36 -178.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.5 mp -104.06 124.77 58.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.661 0 O-C-N 124.038 0.836 . . . . 0.0 110.021 -178.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.7 t -78.87 147.79 33.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.668 -1.151 . . . . 0.0 108.718 178.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.93 -11.01 60.42 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.6 mt -118.0 -76.02 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 O-C-N 124.525 1.141 . . . . 0.0 111.579 -177.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -67.86 -29.86 69.09 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.699 -176.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.64 -19.52 44.17 Favored Glycine 0 CA--C 1.523 0.539 0 O-C-N 124.508 1.13 . . . . 0.0 111.924 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -145.51 16.88 1.48 Allowed 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 116.337 1.977 . . . . 0.0 116.337 -175.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -91.21 -33.17 15.5 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 119.293 0.951 . . . . 0.0 112.615 178.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.31 -30.38 50.88 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 123.418 0.449 . . . . 0.0 110.485 -177.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -70.74 -36.78 73.31 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.346 178.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -117.13 -134.83 0.34 Allowed 'General case' 0 N--CA 1.484 1.235 0 O-C-N 124.357 1.035 . . . . 0.0 111.461 -178.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -72.95 176.78 5.4 Favored 'General case' 0 C--N 1.348 0.5 0 CA-C-O 119.146 -0.454 . . . . 0.0 110.324 -179.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -127.28 42.13 3.38 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 124.185 0.928 . . . . 0.0 110.552 -178.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -84.12 -34.34 24.12 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.255 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.1 p -81.67 -4.24 55.69 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.405 0.441 . . . . 0.0 110.84 -178.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -67.23 -11.3 57.06 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.715 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 39.2 mmm -69.84 156.03 39.66 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -73.62 88.25 1.68 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.126 0.488 . . . . 0.0 110.59 -179.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.2 mt -75.66 142.28 42.58 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.863 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.6 p -64.98 -44.91 87.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -81.12 133.17 35.42 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.521 0.513 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.7 p -65.56 -50.6 64.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.519 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -89.85 109.53 20.53 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 124.151 0.907 . . . . 0.0 110.535 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.1 ttt-85 -64.78 -45.27 87.06 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -158.75 170.35 22.34 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.609 0.568 . . . . 0.0 110.592 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -72.6 131.45 42.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.536 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -70.84 135.85 48.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.139 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -72.81 153.21 41.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.764 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.0 m -69.37 165.87 19.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.738 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -64.11 91.69 0.07 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.364 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.3 m -62.54 -40.63 97.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.748 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -149.06 153.41 37.79 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.981 0.801 . . . . 0.0 110.499 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -94.75 -2.23 51.42 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 124.345 1.028 . . . . 0.0 109.939 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -61.35 -36.46 80.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.144 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.1 t -99.88 150.5 22.32 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 124.122 0.889 . . . . 0.0 110.32 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.9 m -63.91 1.5 0.65 Allowed 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 t70 72.6 -9.36 1.08 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.457 1.103 . . . . 0.0 112.659 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.79 -51.41 59.26 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 5.1 t -93.24 130.59 38.9 Favored 'General case' 0 C--N 1.343 0.309 0 O-C-N 124.095 0.872 . . . . 0.0 109.041 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -76.7 -37.08 56.73 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -177.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -76.59 -23.5 53.47 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -177.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.6 m -67.14 -19.48 65.61 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.908 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -59.19 -36.98 76.29 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.296 -178.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -94.86 -50.37 5.16 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 124.027 0.829 . . . . 0.0 111.755 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -140.72 112.6 7.65 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 124.127 0.892 . . . . 0.0 111.107 -178.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -48.59 142.8 5.61 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 123.977 0.798 . . . . 0.0 112.654 -179.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -124.44 20.65 8.74 Favored 'General case' 0 N--CA 1.477 0.882 0 O-C-N 124.92 1.388 . . . . 0.0 110.465 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.1 mt -64.77 5.79 0.28 Allowed 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -178.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.03 -41.31 97.46 Favored 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 121.453 -0.78 . . . . 0.0 110.562 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 pt -70.38 -69.79 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 O-C-N 123.608 0.568 . . . . 0.0 111.704 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -72.09 116.99 13.16 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.123 0.42 . . . . 0.0 110.635 178.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -80.07 135.61 36.38 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.617 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -72.78 129.93 39.32 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.142 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -73.32 141.7 47.12 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.644 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -65.82 -40.46 91.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.463 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -65.93 -40.95 91.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.512 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.82 -132.39 43.62 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.21 151.24 51.7 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.084 -0.807 . . . . 0.0 111.084 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.4 t -66.8 145.0 55.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 0.0 110.562 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 46.0 mtp -64.02 -40.69 96.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -174.65 175.23 46.88 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 53.1 mtt -64.42 -40.15 95.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.701 0.286 . . . . 0.0 110.317 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.4 p -73.12 163.78 27.65 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.698 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -168.46 169.54 41.66 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.859 -0.897 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.8 m -160.52 159.48 30.77 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.891 0.377 . . . . 0.0 110.492 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.81 -35.78 92.46 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.8 p -74.33 164.72 26.26 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.752 0.31 . . . . 0.0 110.41 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.36 -174.92 46.88 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.522 -179.888 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.1 mmm . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.77 22.58 78.96 Favored Glycine 0 C--N 1.33 0.249 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -157.03 169.07 11.23 Favored Pre-proline 0 CA--C 1.545 0.785 0 CA-C-O 119.081 -0.485 . . . . 0.0 110.823 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -59.71 146.47 95.37 Favored 'Trans proline' 0 N--CA 1.498 1.788 0 C-N-CA 121.328 1.352 . . . . 0.0 112.036 179.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.31 155.3 70.25 Favored Pre-proline 0 CA--C 1.55 0.945 0 O-C-N 124.565 1.166 . . . . 0.0 109.859 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -50.91 -38.09 57.38 Favored 'Trans proline' 0 N--CA 1.503 2.084 0 C-N-CA 122.196 1.931 . . . . 0.0 112.65 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -60.86 117.14 22.6 Favored Pre-proline 0 CA--C 1.557 1.235 0 CA-C-O 117.785 -1.103 . . . . 0.0 109.842 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -78.44 8.1 3.8 Favored 'Trans proline' 0 N--CA 1.5 1.905 0 CA-C-N 122.242 1.836 . . . . 0.0 112.79 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -147.33 73.33 11.88 Favored Pre-proline 0 N--CA 1.475 0.793 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.782 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -56.62 -33.24 92.8 Favored 'Trans proline' 0 N--CA 1.502 1.999 0 C-N-CA 122.011 1.807 . . . . 0.0 112.267 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.7 mt -72.18 -37.57 69.29 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 118.571 -0.728 . . . . 0.0 110.89 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 26.62 68.73 0.47 Allowed Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 125.601 1.813 . . . . 0.0 112.161 -179.224 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -57.61 144.57 92.29 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 120.905 1.07 . . . . 0.0 112.463 -178.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.73 -39.04 93.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.963 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.85 -134.32 37.61 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.69 143.35 36.62 Favored Glycine 0 C--N 1.331 0.294 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -69.96 -50.66 39.65 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -50.11 -30.8 11.81 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 114.117 1.155 . . . . 0.0 114.117 -177.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.4 mt -110.0 118.36 56.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 124.666 1.229 . . . . 0.0 109.775 -179.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.2 t -74.22 149.2 40.97 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 178.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.94 -14.72 59.83 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 111.282 0.105 . . . . 0.0 111.282 -178.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.9 mt -113.75 -77.47 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 124.935 1.397 . . . . 0.0 110.586 -178.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -65.41 -8.92 21.14 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -176.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.26 -19.54 5.53 Favored Glycine 0 CA--C 1.522 0.524 0 CA-C-O 118.192 -1.338 . . . . 0.0 113.348 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 45.9 p-10 -164.43 19.03 0.06 Allowed 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 119.75 1.775 . . . . 0.0 115.205 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -91.08 -4.1 56.59 Favored 'General case' 0 N--CA 1.502 2.139 0 CA-C-N 119.607 1.094 . . . . 0.0 112.026 178.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.89 60.0 3.96 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -153.5 -31.91 0.12 Allowed 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.911 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -136.4 -94.13 0.24 Allowed 'General case' 0 N--CA 1.472 0.655 0 O-C-N 124.226 0.954 . . . . 0.0 112.489 -178.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -88.18 166.67 14.21 Favored 'General case' 0 CA--C 1.513 -0.448 0 O-C-N 123.591 0.557 . . . . 0.0 110.479 -178.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -133.82 40.66 3.08 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 124.79 1.306 . . . . 0.0 109.049 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -80.83 -36.42 31.58 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.822 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.0 p -79.43 -10.58 59.83 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 123.622 0.576 . . . . 0.0 111.004 -178.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.38 -33.71 76.48 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.304 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 31.0 mmm -64.77 -41.57 95.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.549 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -157.73 151.49 24.02 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 123.629 0.58 . . . . 0.0 110.773 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 72.9 mt -72.82 146.05 46.56 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.3 p -137.5 169.22 18.16 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 124.629 1.205 . . . . 0.0 110.256 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -71.53 133.11 45.58 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.229 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 54.2 m -76.42 131.95 39.39 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 123.579 0.549 . . . . 0.0 110.336 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -84.3 96.23 8.96 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.79 0.681 . . . . 0.0 110.543 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -72.79 144.1 47.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.884 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -72.86 107.64 5.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.294 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -60.8 -47.36 86.71 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.911 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -130.37 140.85 50.59 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 124.602 1.188 . . . . 0.0 110.013 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -80.6 97.18 7.09 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.953 0.783 . . . . 0.0 110.38 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.3 m -70.29 -53.25 17.62 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.835 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -131.98 165.53 23.72 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 124.421 1.076 . . . . 0.0 110.251 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.2 t -161.28 85.24 0.66 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.452 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -63.3 -48.15 79.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.343 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.28 -20.53 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.072 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 48.56 70.51 0.45 Allowed 'General case' 0 C--N 1.349 0.558 0 O-C-N 124.181 0.926 . . . . 0.0 110.162 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 95.8 m -71.69 -55.72 7.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.973 -178.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.7 p -114.05 79.89 1.31 Allowed 'General case' 0 CA--C 1.512 -0.509 0 O-C-N 124.673 1.233 . . . . 0.0 110.429 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -55.0 -17.88 4.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.819 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 45.1 mt -63.59 -43.71 96.16 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 178.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.2 t -93.84 117.63 30.36 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 124.058 0.849 . . . . 0.0 108.89 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -64.91 -37.32 87.26 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -176.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.29 -26.94 52.82 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -178.12 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.19 -25.08 63.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.931 0.396 . . . . 0.0 111.297 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -61.41 -34.6 75.63 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.354 -178.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -97.34 -50.17 4.65 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 124.022 0.826 . . . . 0.0 111.978 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -136.14 117.81 14.98 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 124.285 0.99 . . . . 0.0 110.531 -178.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt -57.96 137.31 56.88 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.718 0.636 . . . . 0.0 111.112 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.79 16.43 9.44 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 125.285 1.615 . . . . 0.0 110.827 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.4 mt -58.21 0.24 0.07 Allowed 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -177.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.76 -43.99 74.65 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.404 -0.81 . . . . 0.0 110.879 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.3 pt -64.14 -42.72 96.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 120.643 -0.423 . . . . 0.0 112.082 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -57.45 -46.67 83.34 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 117.588 0.176 . . . . 0.0 110.74 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 74.8 m80 -75.43 132.93 41.18 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.287 0.367 . . . . 0.0 110.436 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -74.0 127.2 32.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.422 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.0 m80 -74.24 132.74 42.42 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.586 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -66.46 -42.07 88.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.773 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -65.16 -40.14 93.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.362 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.79 149.81 49.85 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.94 169.76 50.34 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 78.1 p -61.62 -35.27 77.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.473 0.177 . . . . 0.0 110.818 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 65.7 mtt -73.33 143.84 46.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.449 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.33 147.51 42.57 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 34.0 mmm -65.11 -40.23 94.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.711 0.291 . . . . 0.0 110.608 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 77.9 p -66.8 -36.29 82.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.802 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.05 150.27 51.78 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 77.7 p -64.03 -35.92 82.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.736 0.303 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.99 7.49 76.26 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 16.4 p -75.88 162.73 27.88 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.834 0.349 . . . . 0.0 110.46 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.45 -41.24 99.38 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 85.4 t80 . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.571 -179.892 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.5 mtp . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.36 21.77 79.22 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -162.31 70.31 2.2 Favored Pre-proline 0 CA--C 1.542 0.672 0 CA-C-O 119.61 -0.233 . . . . 0.0 110.662 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -58.62 140.42 94.75 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 C-N-CA 121.174 1.249 . . . . 0.0 112.935 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -80.3 -39.64 1.2 Allowed Pre-proline 0 CA--C 1.552 1.029 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.922 179.033 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -58.81 -33.47 98.51 Favored 'Trans proline' 0 N--CA 1.504 2.097 0 CA-C-N 121.491 1.568 . . . . 0.0 112.729 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -155.22 84.51 3.61 Favored Pre-proline 0 CA--C 1.549 0.938 0 O-C-N 124.241 0.963 . . . . 0.0 110.767 -178.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.54 -165.22 0.04 OUTLIER 'Trans proline' 0 N--CA 1.501 1.935 0 CA-C-N 121.27 1.489 . . . . 0.0 113.175 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.35 163.16 69.56 Favored Pre-proline 0 CA--C 1.547 0.858 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.367 -179.382 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -76.24 -1.74 11.82 Favored 'Trans proline' 0 N--CA 1.502 2.014 0 C-N-CA 121.54 1.493 . . . . 0.0 112.541 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.4 mt -69.72 -43.07 73.11 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.832 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -56.62 -61.46 6.77 Favored Pre-proline 0 CA--C 1.546 0.823 0 CA-C-O 118.055 -0.974 . . . . 0.0 112.169 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -57.47 143.95 93.1 Favored 'Trans proline' 0 N--CA 1.502 2.028 0 CA-C-N 121.747 1.659 . . . . 0.0 112.845 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -71.73 143.68 49.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.301 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.59 -130.56 0.17 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.16 20.36 79.92 Favored Glycine 0 N--CA 1.461 0.333 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -66.36 -51.2 59.57 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.78 -23.64 1.95 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 -178.122 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.1 mt -109.36 115.56 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 O-C-N 124.191 0.932 . . . . 0.0 109.594 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.0 t -74.53 151.61 39.46 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.94 -15.32 59.7 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 122.553 -0.092 . . . . 0.0 111.14 -178.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.6 mt -114.83 -78.39 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 O-C-N 124.812 1.32 . . . . 0.0 110.289 -178.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.9 m -63.08 -10.43 14.41 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -176.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.05 -17.64 7.1 Favored Glycine 0 CA--C 1.524 0.654 0 CA-C-O 118.342 -1.255 . . . . 0.0 113.229 179.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -166.22 17.49 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 115.459 1.652 . . . . 0.0 115.459 -179.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -95.0 9.4 39.57 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-N 119.168 0.895 . . . . 0.0 112.193 178.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.48 66.54 9.73 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.17 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -139.67 -40.09 0.46 Allowed 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.927 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -162.34 -64.71 0.05 OUTLIER 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -80.57 141.73 34.8 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -126.01 42.43 3.3 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 124.586 1.179 . . . . 0.0 109.168 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -79.97 -36.0 36.72 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.892 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.4 p -80.04 -12.44 59.69 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.873 -178.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -65.25 -33.42 75.95 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.259 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 57.7 mtp -72.15 132.14 43.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.239 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -85.04 92.46 8.36 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.865 0.728 . . . . 0.0 110.695 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.9 mt -76.24 149.14 37.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.592 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.2 p -63.88 -43.58 95.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.717 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -74.17 138.87 44.08 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.264 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.3 m -63.63 127.29 30.7 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.205 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -80.94 117.17 21.34 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.771 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -70.07 143.22 52.52 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -63.76 139.79 58.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.237 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -73.33 139.11 45.81 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.367 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -153.17 136.93 16.1 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.877 0.736 . . . . 0.0 109.649 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -152.33 137.91 17.78 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 124.04 0.837 . . . . 0.0 109.985 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 94.9 m -64.79 -36.67 85.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.692 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -62.29 142.28 57.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.991 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.2 p -161.51 162.93 30.53 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.647 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -157.7 136.09 11.14 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.0 m80 30.39 83.59 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.238 0 O-C-N 125.451 1.72 . . . . 0.0 112.159 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -75.08 67.54 1.77 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.058 0.456 . . . . 0.0 110.636 -178.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 94.2 m -79.18 -73.07 0.36 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.261 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.9 m -97.42 82.15 3.08 Favored 'General case' 0 C--N 1.347 0.496 0 O-C-N 123.81 0.694 . . . . 0.0 110.147 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -59.49 -22.3 61.37 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.75 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 25.9 mt -63.22 -47.29 83.11 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 10.7 t -93.63 114.05 26.29 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 124.063 0.852 . . . . 0.0 108.711 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -67.11 -37.26 83.59 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -177.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.61 -29.1 64.29 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -177.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.64 -26.35 65.44 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-O 120.908 0.385 . . . . 0.0 110.935 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -61.3 -42.05 98.01 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.56 -178.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -87.03 -52.08 5.64 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 123.709 0.631 . . . . 0.0 112.048 -178.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -134.99 119.56 18.11 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 124.456 1.098 . . . . 0.0 109.871 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -58.65 134.63 56.95 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.626 0.579 . . . . 0.0 110.833 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.86 8.63 12.68 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 124.977 1.423 . . . . 0.0 110.632 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.9 mt -56.46 -1.11 0.05 OUTLIER 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -177.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.89 -43.04 94.19 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.404 -0.81 . . . . 0.0 110.728 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 pt -63.27 -73.0 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.731 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -75.93 114.66 14.81 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 117.987 0.358 . . . . 0.0 110.914 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -79.09 130.24 35.3 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.24 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -73.59 126.98 31.49 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.362 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -73.35 142.39 47.06 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.673 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -64.75 -42.91 94.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.412 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -73.13 136.44 44.84 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.801 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.23 165.99 52.93 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.88 -39.41 97.33 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.3 m -72.09 147.26 46.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.682 0.277 . . . . 0.0 110.665 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 16.7 ttp -64.76 -40.75 95.8 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.874 0.369 . . . . 0.0 110.111 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.48 159.78 47.61 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 52.8 mtt -63.54 -40.39 96.88 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 84.8 p -160.64 164.91 31.44 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.526 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.69 150.16 51.76 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 78.2 p -63.2 -39.19 93.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.796 0.332 . . . . 0.0 110.794 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.48 143.73 47.45 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.9 p -73.54 164.51 26.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.743 0.306 . . . . 0.0 110.34 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.06 24.95 76.58 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.15 -0.929 . . . . 0.0 110.777 -179.897 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.6 mtp . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.24 23.87 77.29 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -161.87 70.88 2.38 Favored Pre-proline 0 CA--C 1.543 0.679 0 CA-C-O 119.505 -0.283 . . . . 0.0 111.098 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -61.16 151.1 81.12 Favored 'Trans proline' 0 N--CA 1.499 1.841 0 C-N-CA 121.259 1.306 . . . . 0.0 112.072 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.3 t -141.03 71.47 28.33 Favored Pre-proline 0 CA--C 1.555 1.161 0 O-C-N 124.245 0.965 . . . . 0.0 109.651 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -56.31 -42.79 62.31 Favored 'Trans proline' 0 N--CA 1.502 1.974 0 C-N-CA 121.585 1.523 . . . . 0.0 112.687 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -73.75 151.15 88.91 Favored Pre-proline 0 CA--C 1.548 0.898 0 CA-C-O 118.236 -0.888 . . . . 0.0 109.761 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.76 -2.82 12.99 Favored 'Trans proline' 0 N--CA 1.499 1.851 0 CA-C-N 121.611 1.611 . . . . 0.0 112.598 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 48.72 74.03 0.89 Allowed Pre-proline 0 CA--C 1.546 0.799 0 O-C-N 124.278 0.986 . . . . 0.0 111.297 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -56.74 -34.08 95.46 Favored 'Trans proline' 0 N--CA 1.5 1.906 0 C-N-CA 121.805 1.67 . . . . 0.0 111.882 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.1 mt -68.11 -41.86 81.14 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.863 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 29.97 70.44 0.59 Allowed Pre-proline 0 N--CA 1.494 1.756 0 O-C-N 125.085 1.491 . . . . 0.0 112.673 -179.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -57.56 142.47 95.53 Favored 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 121.319 1.346 . . . . 0.0 112.55 -179.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.46 -38.72 92.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.739 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.83 -129.15 43.88 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 110.355 -1.098 . . . . 0.0 110.355 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -172.7 4.93 0.03 OUTLIER Glycine 0 CA--C 1.517 0.212 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.4 mptt 51.33 79.44 0.1 Allowed 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.481 0.658 . . . . 0.0 110.673 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -45.78 -26.15 0.61 Allowed 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 114.234 -1.348 . . . . 0.0 112.64 -178.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.8 mt -104.88 112.6 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.4 t -71.5 151.65 43.72 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.42 -15.1 59.52 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 111.236 0.087 . . . . 0.0 111.236 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.4 mt -114.48 -78.39 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 O-C-N 124.748 1.28 . . . . 0.0 110.015 -178.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.9 m -63.09 -7.91 6.58 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 -177.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.45 -18.92 4.14 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-O 118.078 -1.401 . . . . 0.0 112.93 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -166.2 17.91 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 116.142 1.904 . . . . 0.0 116.142 -178.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -94.02 11.18 30.63 Favored 'General case' 0 N--CA 1.501 2.113 0 CA-C-N 119.36 0.982 . . . . 0.0 111.973 178.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.9 65.24 7.52 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.951 0.881 . . . . 0.0 110.537 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -167.65 -17.57 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.098 -0.956 . . . . 0.0 112.028 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -145.49 -97.34 0.1 Allowed 'General case' 0 N--CA 1.472 0.638 0 O-C-N 123.888 0.743 . . . . 0.0 111.574 -178.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -81.59 157.61 24.67 Favored 'General case' 0 CA--C 1.515 -0.378 0 O-C-N 123.135 0.272 . . . . 0.0 110.605 -179.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -131.2 34.17 4.04 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 124.54 1.15 . . . . 0.0 109.169 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -82.52 -28.85 30.8 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.393 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.1 p -78.85 -14.04 59.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.843 -179.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -64.01 -42.07 97.25 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.187 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 45.1 mtp -66.81 -42.68 85.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.794 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -86.98 104.12 15.99 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.867 0.729 . . . . 0.0 110.74 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.3 mt -75.06 145.37 42.4 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.412 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.3 t -158.11 153.05 25.24 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.075 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -78.32 140.57 38.79 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.204 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.6 p -69.25 137.26 52.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.36 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -79.5 85.85 5.23 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.643 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -65.52 -42.11 92.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.36 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -71.44 142.08 50.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.577 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -72.19 139.73 48.37 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.858 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -130.79 151.03 51.67 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 124.329 1.018 . . . . 0.0 110.039 -179.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -68.92 117.98 11.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.739 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -163.67 165.81 22.91 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.39 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.81 152.46 27.07 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.01 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.2 p -161.82 164.51 28.76 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.193 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -146.92 146.59 30.19 Favored 'General case' 0 N--CA 1.461 0.114 0 O-C-N 124.104 0.878 . . . . 0.0 109.971 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -70.1 -28.56 65.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.675 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -61.75 -48.26 81.52 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -178.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 9.0 t -52.54 158.98 1.12 Allowed 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.3 m -80.53 -4.02 52.34 Favored 'General case' 0 C--O 1.227 -0.105 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.557 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 t70 67.46 52.17 0.81 Allowed 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.963 0.887 . . . . 0.0 112.829 178.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 pp -160.64 -41.58 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.069 177.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 9.3 t -93.6 114.87 27.3 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 124.223 0.952 . . . . 0.0 109.225 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -68.19 -34.85 77.05 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -177.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.24 -26.69 59.07 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -177.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.89 -27.3 68.05 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.882 0.372 . . . . 0.0 110.734 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -58.11 -44.64 87.81 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.108 -178.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -84.2 -51.0 7.38 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 123.723 0.639 . . . . 0.0 111.667 -178.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -134.39 113.06 11.49 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 124.459 1.1 . . . . 0.0 109.447 -178.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -56.33 135.37 53.78 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.615 0.572 . . . . 0.0 111.585 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -113.67 15.94 18.71 Favored 'General case' 0 C--O 1.214 -0.804 0 O-C-N 125.243 1.589 . . . . 0.0 110.385 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.7 mt -55.46 -3.23 0.06 Allowed 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -177.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.54 -48.08 78.97 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.414 -0.804 . . . . 0.0 110.555 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.3 pt -60.26 -93.06 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.554 -178.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -66.85 124.25 22.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.662 0.267 . . . . 0.0 110.97 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -76.9 142.21 40.22 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.232 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -154.05 145.48 23.08 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 123.638 0.586 . . . . 0.0 109.573 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -74.2 136.84 42.79 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.527 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -62.15 -43.82 97.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.809 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -71.12 141.66 50.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.436 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.85 -35.95 92.7 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -170.02 170.96 43.22 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 86.5 p -71.63 159.21 34.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.662 0.268 . . . . 0.0 110.452 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 45.1 mtm -73.32 138.0 45.15 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.925 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 72.16 -172.35 47.31 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 44.0 mtm -73.42 144.33 46.39 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.8 t -61.0 -44.08 97.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -170.08 167.79 40.85 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 86.1 p -72.7 162.32 29.63 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.709 0.29 . . . . 0.0 110.603 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.79 170.24 20.81 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.5 p -76.51 164.93 25.48 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.625 0.25 . . . . 0.0 110.561 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.79 12.49 84.4 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 . . . . . 0 N--CA 1.469 0.523 0 CA-C-O 118.07 -0.967 . . . . 0.0 109.822 179.825 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.2 mmm . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -69.3 158.59 53.23 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 50.76 69.3 2.68 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 122.856 0.463 . . . . 0.0 111.771 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -59.09 149.37 80.41 Favored 'Trans proline' 0 N--CA 1.499 1.85 0 C-N-CA 121.393 1.396 . . . . 0.0 111.872 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.2 t -136.76 72.74 55.36 Favored Pre-proline 0 CA--C 1.562 1.429 0 O-C-N 124.182 0.926 . . . . 0.0 109.383 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -55.23 -41.08 82.0 Favored 'Trans proline' 0 N--CA 1.505 2.161 0 C-N-CA 121.803 1.669 . . . . 0.0 112.95 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.8 t80 56.48 71.96 1.07 Allowed Pre-proline 0 CA--C 1.558 1.266 0 O-C-N 123.785 0.678 . . . . 0.0 110.745 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -76.87 -179.98 5.93 Favored 'Trans proline' 0 N--CA 1.493 1.449 0 C-N-CA 121.192 1.261 . . . . 0.0 111.923 -178.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.19 159.54 80.04 Favored Pre-proline 0 CA--C 1.548 0.891 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.029 -178.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -68.33 -18.14 44.42 Favored 'Trans proline' 0 N--CA 1.502 1.973 0 C-N-CA 121.272 1.315 . . . . 0.0 112.468 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.2 mt -63.52 -38.32 90.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.318 -179.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 50.18 71.29 1.61 Allowed Pre-proline 0 CA--C 1.55 0.946 0 O-C-N 123.926 0.766 . . . . 0.0 111.254 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -58.68 143.75 98.4 Favored 'Trans proline' 0 N--CA 1.5 1.872 0 C-N-CA 121.412 1.408 . . . . 0.0 112.358 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 92.1 mtt-85 -65.03 -38.01 89.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.378 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.1 -178.15 37.79 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.55 138.63 32.26 Favored Glycine 0 C--O 1.234 0.13 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt -67.67 -50.43 57.78 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -47.49 -21.67 0.36 Allowed 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -179.071 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.1 mm -108.42 111.74 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 O-C-N 123.615 0.572 . . . . 0.0 109.706 179.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.9 t -74.27 152.61 39.65 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.38 -15.94 59.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.864 -0.153 . . . . 0.0 111.171 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.0 mt -116.34 -78.65 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 O-C-N 124.784 1.303 . . . . 0.0 110.719 -177.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.3 -12.33 40.62 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -176.248 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.97 -13.43 14.02 Favored Glycine 0 CA--C 1.535 1.319 0 CA-C-O 118.227 -1.319 . . . . 0.0 113.466 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -164.38 18.83 0.06 Allowed 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -94.81 0.46 54.9 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-N 118.919 0.781 . . . . 0.0 111.474 177.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.71 55.21 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.816 0.817 . . . . 0.0 109.308 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -164.72 -7.28 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.194 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -154.07 -125.6 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.995 0 O-C-N 123.249 0.343 . . . . 0.0 110.989 -178.034 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -72.25 142.22 48.94 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -109.7 46.61 1.0 Allowed 'General case' 0 N--CA 1.467 0.385 0 O-C-N 124.783 1.302 . . . . 0.0 109.647 -179.003 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -81.03 -37.37 29.21 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.355 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.0 p -79.5 -11.71 59.89 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.659 0.599 . . . . 0.0 110.726 -178.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.34 -36.33 83.79 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.233 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 34.8 mmm -66.81 -40.29 88.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.523 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -84.01 114.0 21.4 Favored 'General case' 0 N--CA 1.464 0.257 0 O-C-N 123.857 0.723 . . . . 0.0 110.935 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.4 mt -74.56 155.36 37.98 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 25.1 p -134.24 153.13 52.04 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 124.38 1.05 . . . . 0.0 110.34 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -62.94 -41.76 99.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.181 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.6 p -136.01 155.87 49.59 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 124.221 0.951 . . . . 0.0 109.926 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -84.87 18.23 2.52 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.277 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 91.9 mtm180 -125.65 141.28 52.1 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 124.23 0.956 . . . . 0.0 109.618 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -69.95 147.02 50.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.316 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -60.64 -44.59 96.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.445 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -154.51 125.57 7.24 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.708 0.63 . . . . 0.0 109.9 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -90.23 92.46 8.94 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.881 0.738 . . . . 0.0 110.122 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 82.9 m -66.52 -54.84 19.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.936 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -81.18 145.82 30.81 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.662 0.601 . . . . 0.0 109.984 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.9 p -164.04 157.81 18.76 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.71 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -150.65 147.92 27.98 Favored 'General case' 0 C--N 1.344 0.357 0 O-C-N 123.851 0.719 . . . . 0.0 110.353 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -66.34 -32.93 74.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.978 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -65.36 -47.52 76.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.265 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.5 t -46.9 154.82 0.3 Allowed 'General case' 0 C--N 1.343 0.292 0 O-C-N 123.879 0.737 . . . . 0.0 112.71 -179.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.5 p -74.16 -6.38 47.41 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.096 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t0 68.22 47.04 1.04 Allowed 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.445 178.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 pp -163.69 -40.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.063 177.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.1 t -92.46 118.31 30.83 Favored 'General case' 0 C--N 1.341 0.215 0 O-C-N 124.217 0.948 . . . . 0.0 109.699 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -69.03 -37.43 78.6 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -177.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -72.79 -27.59 62.08 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.5 m -62.53 -20.69 64.9 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 120.9 0.381 . . . . 0.0 111.008 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -59.89 -43.59 94.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.644 -177.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -90.65 -49.81 6.27 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.787 0.679 . . . . 0.0 112.253 -178.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -133.67 115.5 14.69 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 124.461 1.101 . . . . 0.0 110.24 -178.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -57.19 134.25 55.74 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.678 0.612 . . . . 0.0 111.338 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.3 13.04 17.76 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 125.078 1.486 . . . . 0.0 110.607 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.2 mt -56.1 -1.86 0.05 Allowed 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 -177.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.63 -43.46 96.76 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.45 -0.781 . . . . 0.0 110.626 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -59.44 -74.89 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.875 -178.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -57.16 128.8 38.82 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.887 0.375 . . . . 0.0 111.287 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -66.04 -45.44 81.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.166 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -71.68 128.87 37.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.37 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -66.35 -37.62 85.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.867 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -153.44 146.73 24.78 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.615 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -71.07 138.01 49.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.239 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.75 162.45 50.73 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.26 -37.19 94.18 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 94.5 p -72.48 160.85 31.63 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.895 0.379 . . . . 0.0 110.721 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 32.5 mmm -64.69 -39.17 93.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.151 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -174.02 175.15 46.54 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 48.2 mtp -64.18 -39.85 94.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.712 0.291 . . . . 0.0 110.25 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.7 p -73.89 164.73 26.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.771 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -70.05 162.57 52.77 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.3 p -161.96 161.35 28.58 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.82 0.343 . . . . 0.0 110.415 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.21 23.85 77.01 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 18.3 p -65.73 -32.92 74.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.757 0.313 . . . . 0.0 110.499 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.97 -49.45 72.11 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 . . . . . 0 C--O 1.221 -0.408 0 CA-C-O 117.887 -1.054 . . . . 0.0 110.5 179.746 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.459 0.227 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -67.04 -45.37 77.64 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -53.95 -33.45 56.88 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 124.288 0.993 . . . . 0.0 113.522 -179.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.3 mt -116.49 108.93 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.0 t -67.3 118.7 11.03 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.07 -8.36 52.85 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.848 -177.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.2 mt -95.38 -74.64 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 O-C-N 124.46 1.1 . . . . 0.0 111.522 -177.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 21.6 p -97.3 -17.67 19.64 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -176.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.09 21.96 72.43 Favored Glycine 0 CA--C 1.525 0.719 0 CA-C-O 118.053 -1.415 . . . . 0.0 113.499 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -162.8 12.37 0.07 Allowed 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 120.308 2.054 . . . . 0.0 113.389 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -100.09 0.5 40.85 Favored 'General case' 0 N--CA 1.505 2.305 0 CA-C-N 118.791 0.723 . . . . 0.0 110.595 175.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.51 -73.09 0.05 Allowed 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.565 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -58.61 -49.66 76.69 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.224 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -78.75 -156.29 0.1 Allowed 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.203 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -105.89 161.19 14.67 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 124.162 0.914 . . . . 0.0 112.138 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -74.03 78.01 1.71 Allowed 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.752 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -111.69 -40.34 4.34 Favored 'General case' 0 CA--C 1.516 -0.349 0 O-C-N 124.821 1.326 . . . . 0.0 110.81 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 p -85.68 -13.35 48.8 Favored 'General case' 0 CA--C 1.515 -0.367 0 O-C-N 124.121 0.888 . . . . 0.0 109.335 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -67.74 -38.9 84.14 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.23 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 35.1 mmm -65.33 -41.63 93.76 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.2 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -79.41 142.61 35.8 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.774 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.4 mt -78.21 131.9 37.34 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.804 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.9 p -75.55 -18.36 59.8 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.242 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -60.46 -43.54 96.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.7 p -63.49 -34.94 78.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.804 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -159.72 103.23 1.53 Allowed 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.574 0.546 . . . . 0.0 110.521 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -72.08 141.5 49.23 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.948 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.76 139.19 57.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.012 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -77.14 127.62 32.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.261 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -71.46 135.07 47.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.024 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -77.96 105.83 9.41 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.625 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 94.3 m -65.35 -40.12 93.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.544 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -67.51 142.42 56.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.952 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.9 p -160.05 160.85 33.68 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.395 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -160.21 146.75 15.76 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 69.26 -9.61 0.6 Allowed 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.258 0.623 . . . . 0.0 112.627 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 41.18 86.34 0.02 OUTLIER 'General case' 0 C--N 1.348 0.503 0 C-N-CA 124.057 0.943 . . . . 0.0 113.05 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -44.54 162.12 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -178.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.6 m -59.95 -40.53 89.32 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.645 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -116.72 -88.15 0.6 Allowed 'General case' 0 C--N 1.346 0.439 0 O-C-N 124.454 1.096 . . . . 0.0 110.338 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 pp -161.67 12.28 0.08 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.239 0.542 . . . . 0.0 110.941 -178.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -71.63 125.28 26.68 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -65.08 -48.94 71.98 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 -174.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -70.56 -22.16 62.62 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -176.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -61.69 -21.38 64.41 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.078 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -59.42 -41.72 90.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.037 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -80.83 -56.43 4.13 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.198 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -143.09 123.17 13.63 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 124.584 1.178 . . . . 0.0 109.018 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -54.45 137.72 41.82 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 123.842 0.714 . . . . 0.0 111.948 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.6 34.74 5.06 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 124.926 1.391 . . . . 0.0 110.782 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.8 mt -66.56 1.86 1.55 Allowed 'General case' 0 CA--C 1.55 0.958 0 O-C-N 120.914 -1.117 . . . . 0.0 111.884 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.63 -36.41 76.12 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 121.97 -0.456 . . . . 0.0 111.917 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.8 pt -65.98 -53.41 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 120.135 -0.626 . . . . 0.0 111.27 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -55.99 -45.15 79.1 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.23 0.468 . . . . 0.0 111.464 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.2 m80 . . . . . 0 C--N 1.331 -0.209 0 CA-C-O 120.89 0.376 . . . . 0.0 110.434 179.749 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 -0.131 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -71.9 -49.75 35.19 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.69 -29.41 18.11 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -177.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.5 mt -112.19 119.79 60.98 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.561 0 O-C-N 124.674 1.234 . . . . 0.0 109.726 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.7 t -76.33 149.78 36.98 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 177.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.68 -12.82 60.01 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.0 mt -114.34 -74.96 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 O-C-N 124.745 1.278 . . . . 0.0 111.146 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -67.75 -15.76 63.79 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.031 -176.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.79 -18.16 36.48 Favored Glycine 0 CA--C 1.529 0.936 0 CA-C-O 118.13 -1.372 . . . . 0.0 113.317 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -166.4 21.4 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 119.596 1.698 . . . . 0.0 113.717 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -89.69 -5.04 57.43 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.169 -0.957 . . . . 0.0 111.135 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.0 64.98 5.01 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -162.09 -60.63 0.05 OUTLIER 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.872 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.18 -84.21 0.39 Allowed 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.522 1.138 . . . . 0.0 111.954 -177.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -110.93 164.0 13.24 Favored 'General case' 0 CA--C 1.509 -0.614 0 O-C-N 124.4 1.063 . . . . 0.0 109.516 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -129.38 45.56 2.78 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 124.967 1.417 . . . . 0.0 109.447 -178.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -87.06 -35.23 18.84 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.871 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.2 p -79.8 -6.22 56.9 Favored 'General case' 0 C--O 1.224 -0.255 0 O-C-N 123.387 0.429 . . . . 0.0 110.637 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.64 -34.35 77.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.078 0.466 . . . . 0.0 110.173 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 47.3 mtp -65.13 -42.58 93.74 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.153 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -86.36 140.67 29.81 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 123.744 0.652 . . . . 0.0 110.546 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.3 mt -90.91 17.49 7.78 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 123.684 0.615 . . . . 0.0 109.746 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.0 p -81.76 157.27 24.58 Favored 'General case' 0 C--O 1.233 0.22 0 O-C-N 123.801 0.688 . . . . 0.0 109.89 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -82.49 136.22 34.94 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.872 0.732 . . . . 0.0 110.816 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.0 m -63.15 -49.39 74.54 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.734 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -84.78 109.22 17.91 Favored 'General case' 0 C--N 1.344 0.333 0 O-C-N 123.976 0.797 . . . . 0.0 109.984 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -64.1 -45.16 89.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.067 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -67.95 132.24 46.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.356 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -62.25 -47.36 84.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.963 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -76.88 134.17 39.07 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.862 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -81.58 86.66 6.34 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.734 0.646 . . . . 0.0 110.951 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.6 t -75.95 109.46 9.6 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.956 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -80.29 116.47 20.39 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.652 0.595 . . . . 0.0 109.862 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.3 t -76.67 -79.57 0.11 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.934 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -79.27 140.92 37.47 Favored 'General case' 0 C--N 1.342 0.252 0 CA-C-O 121.01 0.433 . . . . 0.0 110.519 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -72.7 -17.29 61.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.431 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -64.79 -42.87 94.73 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.21 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -49.07 141.52 7.89 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 124.212 0.945 . . . . 0.0 110.869 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -161.46 20.35 0.12 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.673 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -143.7 21.39 1.82 Allowed 'General case' 0 N--CA 1.474 0.765 0 O-C-N 123.972 0.795 . . . . 0.0 110.715 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 56.23 13.63 1.29 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.432 0.693 . . . . 0.0 111.336 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.7 t -90.51 118.15 29.75 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.492 -1.231 . . . . 0.0 108.789 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -67.81 -37.53 82.09 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 114.801 -1.09 . . . . 0.0 113.151 -176.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -76.09 -24.15 55.02 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -177.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -62.18 -23.33 66.55 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.621 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -56.22 -39.45 72.53 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.266 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -90.67 -53.67 4.32 Favored 'General case' 0 CA--C 1.516 -0.357 0 O-C-N 124.038 0.836 . . . . 0.0 111.223 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -137.47 114.8 10.99 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 124.441 1.088 . . . . 0.0 110.48 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -53.95 140.24 31.65 Favored 'General case' 0 C--O 1.236 0.379 0 O-C-N 124.557 1.161 . . . . 0.0 111.151 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -130.28 38.84 3.72 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 124.986 1.428 . . . . 0.0 110.347 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.2 mt -73.51 3.11 6.55 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 121.553 -0.717 . . . . 0.0 110.458 179.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.49 -48.04 61.95 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.5 pt -63.0 -42.41 96.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.372 -178.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -58.79 -45.18 90.46 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 85.3 t60 . . . . . 0 N--CA 1.463 0.198 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.25 179.877 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.261 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -63.86 -52.54 59.56 Favored 'General case' 0 C--O 1.212 -0.903 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -48.48 -24.58 1.33 Allowed 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -178.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.1 mm -108.18 114.15 45.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 O-C-N 123.972 0.795 . . . . 0.0 110.183 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.8 t -73.96 150.67 40.63 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.53 -15.38 59.89 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 121.5 -0.08 . . . . 0.0 111.194 -178.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.5 mt -114.74 -78.04 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 O-C-N 124.71 1.256 . . . . 0.0 110.636 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.9 m -63.34 -12.57 30.98 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -176.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.17 -18.65 9.5 Favored Glycine 0 C--O 1.217 -0.945 0 CA-C-O 117.861 -1.522 . . . . 0.0 113.34 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -165.88 18.54 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -94.19 6.89 47.19 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 118.567 0.621 . . . . 0.0 111.65 177.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.54 63.71 5.95 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.79 0.805 . . . . 0.0 109.147 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -173.78 -9.12 0.01 OUTLIER 'General case' 0 C--O 1.237 0.415 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.218 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -149.6 -129.84 0.05 Allowed 'General case' 0 CA--C 1.549 0.912 0 O-C-N 123.042 0.214 . . . . 0.0 111.536 -178.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -65.29 134.48 53.7 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 122.239 -0.288 . . . . 0.0 110.385 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -104.41 40.51 1.46 Allowed 'General case' 0 C--N 1.345 0.374 0 O-C-N 124.488 1.118 . . . . 0.0 109.702 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -83.08 -31.45 27.3 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.881 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.9 p -77.84 -13.04 60.01 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.6 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -64.94 -42.63 94.48 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.413 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.3 mtm -71.45 -43.81 65.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -82.47 174.09 11.4 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.568 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.8 mt -109.39 125.18 52.12 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 124.288 0.993 . . . . 0.0 108.782 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.1 p -80.35 163.67 23.72 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.757 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -82.05 138.59 34.81 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.643 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 82.0 m -63.48 -46.31 86.75 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.322 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -82.39 88.54 6.57 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.697 0.623 . . . . 0.0 110.451 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.8 mtm-85 -78.86 133.41 36.99 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.706 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -84.07 108.8 17.22 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 123.813 0.696 . . . . 0.0 110.335 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -88.67 127.82 35.59 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.88 0.738 . . . . 0.0 110.099 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -73.89 134.14 43.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.144 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -64.49 -40.97 96.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 t -72.49 112.71 8.79 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.469 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -131.9 113.34 13.34 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 124.403 1.064 . . . . 0.0 109.643 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.4 t -62.97 -44.25 96.56 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.98 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -146.82 134.92 21.56 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 124.186 0.929 . . . . 0.0 109.843 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -82.91 19.44 1.37 Allowed 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.565 0.541 . . . . 0.0 111.132 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -62.13 -48.15 81.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.842 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.43 15.08 0.25 Allowed 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.231 0.539 . . . . 0.0 109.973 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -60.13 -47.28 86.58 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.067 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -67.18 -53.74 27.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.783 0.325 . . . . 0.0 111.461 -178.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.7 mt -60.87 -68.42 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.515 -178.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 22.8 t -91.02 113.53 25.81 Favored 'General case' 0 C--N 1.339 0.146 0 O-C-N 123.969 0.793 . . . . 0.0 109.262 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -70.4 -34.87 73.05 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.849 -178.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.67 -27.88 62.37 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -177.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.77 -24.63 65.91 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.828 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -54.74 -45.27 74.11 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.084 -177.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -80.19 -51.25 9.18 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.53 0.519 . . . . 0.0 111.446 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -139.52 113.56 8.8 Favored 'General case' 0 C--O 1.219 -0.55 0 O-C-N 124.376 1.047 . . . . 0.0 109.169 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.3 mmtt -53.14 138.66 30.85 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 124.266 0.979 . . . . 0.0 111.379 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.54 16.93 11.26 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 124.924 1.39 . . . . 0.0 110.088 179.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.6 mt -59.4 -1.3 0.21 Allowed 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.05 -45.13 94.92 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 121.939 -0.476 . . . . 0.0 110.835 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -58.63 -70.87 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.331 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -73.18 123.52 23.81 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 117.972 0.351 . . . . 0.0 110.453 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 . . . . . 0 C--N 1.331 -0.199 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.189 179.869 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.736 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -59.23 138.1 57.72 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-O 121.694 0.759 . . . . 0.0 109.494 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -59.44 -53.28 59.98 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 114.233 -1.349 . . . . 0.0 112.788 -176.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.0 mp -99.17 120.58 48.69 Favored 'Isoleucine or valine' 0 C--N 1.346 0.445 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.2 t -70.32 144.54 51.66 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.68 -8.28 53.15 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -176.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.8 mt -118.64 -74.76 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 124.5 1.125 . . . . 0.0 111.23 -177.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -71.05 -28.33 64.29 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.452 -176.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.72 -23.4 16.82 Favored Glycine 0 CA--C 1.525 0.689 0 O-C-N 124.113 0.883 . . . . 0.0 111.621 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -146.5 16.55 1.3 Allowed 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 -177.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.548 HD21 ' H ' ' A' ' 33' ' ' THR . 2.4 m-20 -77.66 -40.76 40.6 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 118.924 0.784 . . . . 0.0 110.099 177.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.13 -34.73 32.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 124.655 1.222 . . . . 0.0 109.354 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -75.14 -54.43 7.15 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.459 177.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -95.35 -134.3 0.2 Allowed 'General case' 0 N--CA 1.483 1.22 0 O-C-N 124.043 0.839 . . . . 0.0 111.856 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -73.28 173.15 9.91 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 117.994 0.361 . . . . 0.0 110.65 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -128.14 46.88 2.5 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 124.284 0.99 . . . . 0.0 109.826 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -102.64 -28.71 11.97 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.914 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.548 ' H ' HD21 ' A' ' 26' ' ' ASN . 3.1 p -83.29 -6.37 59.45 Favored 'General case' 0 N--CA 1.471 0.575 0 O-C-N 123.575 0.547 . . . . 0.0 109.883 -179.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.44 -37.88 85.15 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.904 178.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 35.3 mtm -65.96 -41.67 90.94 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -156.18 137.78 14.14 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.51 0.506 . . . . 0.0 110.551 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.22 126.44 30.62 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 32.2 m -83.57 121.85 27.79 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.752 0.658 . . . . 0.0 109.708 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -79.45 131.86 36.2 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.337 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.8 t -156.74 148.28 22.46 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.652 0.595 . . . . 0.0 110.466 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -81.0 85.07 6.33 Favored 'General case' 0 N--CA 1.462 0.168 0 O-C-N 123.759 0.662 . . . . 0.0 110.368 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -73.23 132.35 43.07 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.746 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.5 p-10 -67.77 135.11 52.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.486 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -61.72 -48.01 82.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.658 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -68.34 127.31 32.49 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.55 HD21 HH12 ' A' ' 61' ' ' ARG . 10.8 t-20 -78.96 129.3 34.33 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.53 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.9 m -65.49 -42.72 91.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.125 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -138.92 149.95 45.37 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 124.215 0.947 . . . . 0.0 109.712 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.7 p -159.94 156.63 27.51 Favored 'General case' 0 N--CA 1.463 0.176 0 O-C-N 123.438 0.462 . . . . 0.0 110.614 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -149.36 150.28 32.21 Favored 'General case' 0 N--CA 1.464 0.237 0 O-C-N 124.09 0.869 . . . . 0.0 109.431 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -92.16 -11.71 34.82 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 124.014 0.821 . . . . 0.0 110.952 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt -63.77 -40.36 96.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.797 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 10.4 t -96.21 146.9 24.3 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 123.767 0.667 . . . . 0.0 110.977 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.5 m -57.95 -1.31 0.11 Allowed 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 75.08 -11.94 1.01 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.544 1.138 . . . . 0.0 111.85 179.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.22 -53.14 57.74 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.7 t -93.61 126.78 38.96 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 124.2 0.937 . . . . 0.0 108.821 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -73.34 -40.62 64.3 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -176.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -74.1 -24.97 59.54 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -177.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.4 m -64.18 -20.71 66.2 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.287 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.55 HH12 HD21 ' A' ' 46' ' ' ASN . 99.6 mtt180 -57.58 -36.23 71.42 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.236 -177.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -90.38 -53.9 4.24 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.932 0.77 . . . . 0.0 111.935 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -140.67 115.87 9.91 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 124.293 0.996 . . . . 0.0 109.662 -178.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -50.08 144.5 6.85 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 124.184 0.928 . . . . 0.0 112.562 -178.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.76 26.69 6.6 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.795 1.309 . . . . 0.0 110.99 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.4 mt -63.95 2.69 0.48 Allowed 'General case' 0 CA--C 1.554 1.098 0 O-C-N 120.965 -1.085 . . . . 0.0 112.416 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.23 -39.9 65.1 Favored 'General case' 0 N--CA 1.454 -0.271 0 O-C-N 122.063 -0.398 . . . . 0.0 111.993 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.9 pt -62.13 -63.22 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.74 0 C-N-CA 120.098 -0.641 . . . . 0.0 111.237 -178.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -64.84 128.69 36.84 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 118.809 0.731 . . . . 0.0 110.316 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 . . . . . 0 C--N 1.333 -0.142 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.215 179.588 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.165 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -72.74 -48.14 41.03 Favored 'General case' 0 C--O 1.208 -1.118 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -54.62 -35.07 63.02 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -178.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.8 mm -110.14 117.38 54.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 O-C-N 124.333 1.02 . . . . 0.0 109.594 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.0 t -69.42 139.45 54.06 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.883 178.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.17 -11.18 60.02 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.914 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.8 mt -109.54 -72.3 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 O-C-N 124.416 1.072 . . . . 0.0 110.65 -178.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.4 m -66.22 -16.98 64.45 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.88 -177.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.88 -8.84 13.24 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.841 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -155.25 15.15 0.39 Allowed 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -97.39 -130.8 0.19 Allowed 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 118.412 0.551 . . . . 0.0 109.709 176.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 48.26 59.54 4.22 Favored 'General case' 0 C--N 1.35 0.588 0 C-N-CA 123.506 0.722 . . . . 0.0 111.409 177.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -159.11 -30.8 0.07 Allowed 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.055 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -145.45 -95.9 0.1 Allowed 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.554 0.534 . . . . 0.0 111.99 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -90.61 131.39 36.35 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 122.746 0.418 . . . . 0.0 110.654 -178.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -93.83 47.65 1.23 Allowed 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.995 0.81 . . . . 0.0 109.964 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -83.42 -31.72 26.49 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.234 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.6 p -78.15 -13.45 59.86 Favored 'General case' 0 C--N 1.333 -0.122 0 O-C-N 123.446 0.466 . . . . 0.0 110.427 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -71.93 -6.58 42.95 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.053 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.7 mtp -122.91 152.44 40.8 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 124.538 1.149 . . . . 0.0 110.031 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -76.76 98.93 4.94 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.244 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 69.4 mt -76.85 145.92 38.06 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.799 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.0 m -63.64 -46.5 85.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.243 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -83.33 83.0 8.03 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.726 0.642 . . . . 0.0 110.769 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.4 p -68.97 -36.97 78.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.695 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -80.28 112.85 18.0 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.631 0.582 . . . . 0.0 110.156 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -128.34 104.3 7.64 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 124.545 1.153 . . . . 0.0 109.741 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -76.46 114.2 14.9 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.789 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -84.75 141.68 30.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.551 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.83 -43.34 93.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.465 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 53.98 33.98 18.64 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.968 0.793 . . . . 0.0 110.742 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.3 m -63.56 -47.66 80.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.224 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -136.6 138.56 41.32 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 124.211 0.944 . . . . 0.0 109.315 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.0 t -164.73 152.92 12.12 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.897 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -147.65 151.78 36.76 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 124.099 0.875 . . . . 0.0 109.185 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -110.47 10.88 23.2 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 123.952 0.782 . . . . 0.0 110.168 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.93 -43.41 98.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.925 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 6.8 m -78.4 -147.01 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.316 0 O-C-N 123.376 0.423 . . . . 0.0 110.222 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.9 m -86.15 83.51 7.72 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.33 0.652 . . . . 0.0 109.958 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -44.73 -31.84 1.32 Allowed 'General case' 0 N--CA 1.478 0.938 0 O-C-N 124.428 1.08 . . . . 0.0 111.714 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.8 mt -61.17 -47.41 86.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.559 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.1 t -91.15 116.12 28.56 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 123.882 0.739 . . . . 0.0 109.086 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -66.02 -36.36 83.07 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -176.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.68 -26.21 54.53 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -177.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -62.09 -22.53 65.86 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.981 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -57.45 -35.84 70.63 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.967 -178.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -89.04 -54.62 4.04 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.929 0.768 . . . . 0.0 111.361 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -142.69 118.06 10.25 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 124.222 0.951 . . . . 0.0 109.888 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.8 mmtt -51.57 135.59 27.95 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.858 0.724 . . . . 0.0 112.202 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.43 30.86 6.88 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 124.892 1.37 . . . . 0.0 110.114 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.1 mt -67.63 1.5 2.39 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.635 -0.666 . . . . 0.0 111.935 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.96 -52.04 65.62 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.3 pt -58.06 -55.97 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 120.261 -0.575 . . . . 0.0 111.56 -177.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -56.65 -40.56 75.67 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 118.105 0.411 . . . . 0.0 111.123 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 . . . . . 0 N--CA 1.473 0.683 0 O-C-N 123.893 0.745 . . . . 0.0 110.748 -179.903 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.381 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.32 -51.28 58.92 Favored 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.95 -24.16 15.5 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -177.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.4 mt -113.55 113.16 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 O-C-N 124.266 0.979 . . . . 0.0 109.025 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.6 t -71.99 149.46 44.97 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.89 -11.38 59.81 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.3 mt -116.14 -78.68 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 124.776 1.297 . . . . 0.0 109.819 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.0 m -63.19 -14.82 53.43 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -176.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.23 -25.4 7.96 Favored Glycine 0 CA--C 1.525 0.682 0 CA-C-O 118.486 -1.175 . . . . 0.0 113.12 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.6 p30 -166.54 17.66 0.03 OUTLIER 'General case' 0 CA--C 1.559 1.298 0 CA-C-N 119.187 1.494 . . . . 0.0 114.048 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -96.55 14.37 24.95 Favored 'General case' 0 N--CA 1.5 2.052 0 CA-C-O 121.485 0.66 . . . . 0.0 110.881 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.96 -61.39 2.61 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.337 -1.301 . . . . 0.0 108.013 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -2.08 -71.98 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 O-C-N 126.295 2.247 . . . . 0.0 114.235 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -156.1 -45.67 0.08 Allowed 'General case' 0 N--CA 1.475 0.807 0 O-C-N 123.867 0.729 . . . . 0.0 111.214 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -74.03 78.29 1.7 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.695 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -84.35 41.05 0.81 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.388 0.613 . . . . 0.0 109.828 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -83.69 -33.83 25.08 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.495 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.4 p -79.62 -9.04 59.57 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.659 0.599 . . . . 0.0 110.807 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -65.87 -18.04 65.07 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.665 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 34.3 mmm -81.01 138.92 36.03 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.721 0.638 . . . . 0.0 110.027 179.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -79.69 93.32 5.52 Favored 'General case' 0 N--CA 1.463 0.217 0 O-C-N 123.579 0.549 . . . . 0.0 111.219 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 mt -117.04 118.26 31.9 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 124.371 1.044 . . . . 0.0 109.468 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.5 p -73.52 -26.2 60.77 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.441 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -60.99 -44.66 97.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.151 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.7 p -74.4 80.34 1.89 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.538 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -73.78 142.05 46.23 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.285 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.7 mtp85 -71.5 142.31 50.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.04 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -69.06 132.11 46.1 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.057 0.456 . . . . 0.0 110.007 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -64.71 -44.35 90.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.011 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.72 -43.95 95.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.617 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.0 t30 54.58 39.21 31.02 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.902 0.751 . . . . 0.0 111.2 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.9 t -74.08 131.47 41.36 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.81 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -67.51 140.75 57.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.409 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 38.4 t -62.48 -42.55 99.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.401 ' H ' ' NH1' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -157.59 173.47 16.81 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 123.494 0.496 . . . . 0.0 110.013 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -131.26 32.24 4.27 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 124.11 0.881 . . . . 0.0 111.26 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.72 -48.6 76.41 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.857 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -169.59 164.25 10.26 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.114 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 57.1 m 35.59 70.09 0.16 Allowed 'General case' 0 C--N 1.355 0.834 0 O-C-N 124.934 1.396 . . . . 0.0 112.258 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -56.24 -26.46 51.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.878 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.66 -47.87 81.8 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 24.4 t -94.12 111.77 23.52 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 124.283 0.99 . . . . 0.0 109.787 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -68.46 -36.11 78.54 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.753 -177.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.94 -26.2 60.37 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -177.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -61.18 -26.65 67.86 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.332 0.586 . . . . 0.0 110.054 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.401 ' NH1' ' H ' ' A' ' 50' ' ' TYR . 98.8 mtt180 -60.61 -38.27 84.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.836 -177.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -88.74 -52.85 4.91 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.856 0.723 . . . . 0.0 111.539 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -137.11 116.15 12.42 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 124.394 1.059 . . . . 0.0 109.639 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -54.38 133.96 45.46 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 123.808 0.692 . . . . 0.0 111.526 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -123.51 18.1 9.66 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 125.054 1.471 . . . . 0.0 111.078 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.49 2.16 0.11 Allowed 'General case' 0 CA--C 1.554 1.132 0 O-C-N 121.045 -1.034 . . . . 0.0 113.086 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.28 -42.18 79.93 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 121.611 -0.681 . . . . 0.0 111.185 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 pt -59.71 -69.39 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.365 -178.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -76.09 127.97 34.04 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 118.022 0.374 . . . . 0.0 110.755 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 75.6 m80 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.665 -179.885 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.555 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -72.46 -47.47 48.61 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 178.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -62.37 -51.23 68.4 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.001 -0.679 . . . . 0.0 112.284 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.3 mp -105.05 124.1 59.56 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 O-C-N 123.59 0.556 . . . . 0.0 110.758 -177.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 t -81.69 144.1 31.4 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 177.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.11 -11.23 56.64 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -176.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.2 mt -116.74 -70.8 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 O-C-N 124.563 1.164 . . . . 0.0 111.801 -177.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -79.0 -27.73 43.32 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -176.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.98 -9.18 57.88 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-O 119.011 -0.883 . . . . 0.0 112.196 -178.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -148.03 16.22 1.07 Allowed 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 -177.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.46 -38.76 21.41 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 118.935 0.788 . . . . 0.0 109.914 177.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.89 -33.91 67.35 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.307 -177.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -81.21 -40.61 23.58 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.216 177.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -108.02 -136.85 0.36 Allowed 'General case' 0 N--CA 1.486 1.345 0 O-C-N 124.362 1.039 . . . . 0.0 113.082 -177.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -68.25 -168.46 0.11 Allowed 'General case' 0 N--CA 1.474 0.748 0 O-C-N 122.171 -0.33 . . . . 0.0 111.539 -178.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -138.15 25.86 2.7 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 123.613 0.571 . . . . 0.0 110.902 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -96.48 -14.43 22.35 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 124.292 0.995 . . . . 0.0 111.284 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.9 p -79.32 -17.47 54.51 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 123.541 0.525 . . . . 0.0 110.804 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -67.76 -18.25 64.81 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.2 mmm -65.32 -41.94 93.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.694 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -85.87 113.96 22.42 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.934 0.771 . . . . 0.0 111.072 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.6 mt -72.54 148.48 44.95 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.0 p -139.58 162.84 34.11 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 124.415 1.072 . . . . 0.0 110.308 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -75.11 167.42 21.96 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.513 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.5 m -61.7 -45.62 93.2 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -79.98 103.0 9.56 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.525 0.516 . . . . 0.0 110.513 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -74.47 136.61 42.27 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.746 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -79.13 110.02 13.99 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 123.554 0.534 . . . . 0.0 110.591 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -80.24 137.74 36.69 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.446 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -70.6 133.12 46.42 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -63.6 -42.26 98.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.257 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 38.1 t -74.57 86.56 2.1 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.459 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -78.15 124.03 27.58 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.817 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.8 t -67.37 -46.68 72.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.525 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -153.11 155.31 36.53 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 123.986 0.804 . . . . 0.0 110.313 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -109.37 5.58 23.63 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 124.631 1.207 . . . . 0.0 110.155 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.78 -31.81 72.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.887 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 61.7 m -102.59 168.09 9.5 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 124.068 0.855 . . . . 0.0 111.637 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 84.9 p -59.1 -13.26 6.45 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.13 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t70 74.17 -8.15 1.5 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.225 1.01 . . . . 0.0 111.922 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.17 -48.93 76.29 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.4 t -93.43 127.57 39.11 Favored 'General case' 0 C--N 1.341 0.23 0 O-C-N 124.484 1.115 . . . . 0.0 108.653 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -72.74 -39.28 67.01 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -177.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.87 -25.75 59.19 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -177.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.4 m -61.92 -26.18 68.02 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.817 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -54.67 -35.02 63.12 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.804 0.69 . . . . 0.0 111.176 -178.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -91.52 -54.24 3.98 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.992 0.807 . . . . 0.0 111.317 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -144.38 118.11 9.25 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 124.086 0.866 . . . . 0.0 110.123 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.9 mmtt -49.2 143.75 5.78 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 124.139 0.9 . . . . 0.0 112.809 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.46 24.65 6.67 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 124.789 1.305 . . . . 0.0 110.567 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.7 mt -67.61 6.43 0.64 Allowed 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.81 -40.48 95.29 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.602 -0.686 . . . . 0.0 110.446 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.4 pt -71.2 -66.46 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 O-C-N 123.548 0.53 . . . . 0.0 111.402 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -72.43 125.41 27.34 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 118.726 0.694 . . . . 0.0 110.452 177.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 . . . . . 0 N--CA 1.462 0.13 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.552 179.694 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 0.072 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -65.6 -49.06 70.13 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.67 -27.01 15.5 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -177.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.9 mt -114.6 118.22 57.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 O-C-N 124.359 1.037 . . . . 0.0 109.768 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.8 t -74.45 148.14 41.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.245 -0.889 . . . . 0.0 108.984 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.36 -10.51 59.46 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.3 mm -117.37 -72.88 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 O-C-N 124.714 1.259 . . . . 0.0 112.12 -177.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.82 -21.82 62.41 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -176.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.47 -15.61 61.94 Favored Glycine 0 CA--C 1.529 0.964 0 CA-C-O 118.466 -1.186 . . . . 0.0 113.547 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.7 p-10 -163.83 24.88 0.08 Allowed 'General case' 0 N--CA 1.485 1.286 0 CA-C-N 119.407 1.604 . . . . 0.0 113.963 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.5 -13.26 32.48 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 118.506 0.594 . . . . 0.0 111.503 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.68 64.12 3.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.204 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -157.12 -32.63 0.08 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.237 -1.347 . . . . 0.0 110.341 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -159.25 -83.01 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.182 0.301 . . . . 0.0 111.354 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -74.46 139.11 43.7 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -130.13 34.79 4.18 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 124.668 1.23 . . . . 0.0 108.188 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -82.78 -32.51 27.69 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.964 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.1 p -79.63 -6.53 57.29 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.421 0.451 . . . . 0.0 111.022 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -66.5 -18.36 65.32 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.624 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 57.4 mtp -80.64 133.76 35.78 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.682 0.614 . . . . 0.0 109.842 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -79.86 96.12 6.25 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.58 0.55 . . . . 0.0 110.605 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.4 mt -126.23 101.17 6.63 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 124.45 1.094 . . . . 0.0 109.889 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.4 p -69.99 -32.95 71.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.272 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -60.69 -44.69 96.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.218 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.7 m -61.22 127.77 33.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.212 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -81.17 169.03 17.89 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.463 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -64.41 99.95 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.238 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -87.3 16.94 4.74 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 123.737 0.648 . . . . 0.0 110.635 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -80.44 141.43 35.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.009 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -127.98 146.02 50.79 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 124.51 1.131 . . . . 0.0 109.856 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -73.49 102.17 3.74 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.658 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -77.13 135.55 38.57 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.136 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -69.76 130.0 41.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.229 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.6 p -78.95 164.09 24.69 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.191 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -159.87 -58.09 0.06 Allowed 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -92.54 -6.65 49.23 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 123.766 0.666 . . . . 0.0 111.175 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 49.58 93.02 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 O-C-N 124.024 0.828 . . . . 0.0 111.657 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.9 p -60.68 -170.07 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.391 0.615 . . . . 0.0 112.41 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.7 m -159.14 17.15 0.18 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.744 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -132.18 13.77 4.67 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 124.074 0.859 . . . . 0.0 111.256 -179.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 61.86 10.49 3.54 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.251 1.02 . . . . 0.0 111.528 178.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.3 t -85.28 117.91 24.5 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 114.488 -1.233 . . . . 0.0 108.65 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -67.29 -33.69 75.82 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -176.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -79.55 -24.14 42.33 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -177.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -61.69 -22.62 65.49 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.848 0.356 . . . . 0.0 110.686 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.2 -37.41 77.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.841 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -86.88 -54.48 4.33 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 123.796 0.685 . . . . 0.0 111.193 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -141.1 117.02 10.45 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 124.212 0.945 . . . . 0.0 109.71 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -52.98 138.97 29.04 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 123.982 0.802 . . . . 0.0 111.729 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.62 33.58 5.2 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 124.88 1.363 . . . . 0.0 110.411 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.2 mt -70.17 1.71 4.46 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.73 -0.606 . . . . 0.0 111.537 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.66 -49.3 69.13 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 121.892 -0.505 . . . . 0.0 110.795 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.0 pt -61.8 -47.39 93.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 C-N-CA 120.328 -0.549 . . . . 0.0 112.137 -178.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -63.55 129.68 41.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 118.178 0.444 . . . . 0.0 109.946 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 86.2 t60 . . . . . 0 N--CA 1.463 0.213 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.104 -179.75 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.348 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.04 -54.77 29.01 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -51.6 -25.64 7.31 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -177.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.6 mm -104.66 113.53 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 O-C-N 124.195 0.934 . . . . 0.0 109.704 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.5 t -75.93 150.88 37.44 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.84 -13.52 59.76 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 111.326 0.121 . . . . 0.0 111.326 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.0 mt -114.48 -78.95 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 O-C-N 124.778 1.299 . . . . 0.0 110.255 -178.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.66 -11.77 39.07 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -176.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.99 -21.27 6.96 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 118.525 -1.153 . . . . 0.0 112.83 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -165.66 20.48 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -178.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -94.59 4.02 54.37 Favored 'General case' 0 N--CA 1.5 2.067 0 CA-C-N 118.881 0.764 . . . . 0.0 111.403 176.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.09 64.41 2.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.987 0.899 . . . . 0.0 109.031 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -176.8 -29.39 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.425 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -86.25 -147.79 0.13 Allowed 'General case' 0 N--CA 1.473 0.688 0 O-C-N 123.735 0.647 . . . . 0.0 111.846 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -78.73 -1.19 33.41 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 53.69 47.85 22.86 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 123.525 0.516 . . . . 0.0 111.055 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -88.75 -34.59 17.08 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.582 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 45.1 p -79.31 -9.73 59.65 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.428 0.455 . . . . 0.0 110.498 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.97 -27.84 69.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.464 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.8 mtm -81.05 149.57 29.19 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.853 0.72 . . . . 0.0 109.87 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -79.3 109.08 13.31 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.703 0.627 . . . . 0.0 111.367 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.9 mt -78.2 147.2 34.57 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.624 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.3 m -62.81 -45.24 93.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.283 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -151.51 158.58 43.79 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.894 0.746 . . . . 0.0 109.891 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 29.3 p -139.93 160.78 39.14 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 124.33 1.019 . . . . 0.0 109.842 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -79.76 117.58 20.78 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.662 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.9 mtm-85 -64.23 -39.24 93.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.064 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -76.29 109.75 10.24 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.612 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -80.22 137.19 36.62 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.409 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -74.89 143.07 43.98 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.191 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -76.12 79.09 2.94 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.745 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 81.0 m -81.54 146.67 30.04 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.72 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -71.38 162.94 28.63 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.412 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.6 t -163.81 103.94 0.91 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.202 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -83.23 -6.53 59.51 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.731 0.644 . . . . 0.0 110.766 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 51.07 48.84 22.35 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 123.925 0.766 . . . . 0.0 110.796 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.21 -47.74 83.11 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.008 -178.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 25.0 t -160.22 155.32 24.75 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.8 p 36.92 66.63 0.4 Allowed 'General case' 0 C--N 1.348 0.503 0 O-C-N 125.29 1.619 . . . . 0.0 111.639 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -51.93 -25.81 8.97 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 114.821 -1.082 . . . . 0.0 111.418 -177.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.2 mt -63.79 -40.83 97.6 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.9 t -86.6 111.36 20.55 Favored 'General case' 0 C--N 1.348 0.513 0 N-CA-C 108.507 -0.924 . . . . 0.0 108.507 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -68.58 -32.58 72.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.879 -0.6 . . . . 0.0 112.355 -177.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -74.42 -28.28 61.0 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -177.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.37 -28.49 68.24 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.351 0.596 . . . . 0.0 110.147 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.72 -37.81 85.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.055 -178.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -91.05 -53.78 4.23 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.662 0.601 . . . . 0.0 112.023 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -131.29 114.86 15.54 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 124.591 1.182 . . . . 0.0 109.695 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -58.17 130.14 45.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.14 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.51 11.12 15.84 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 125.233 1.583 . . . . 0.0 111.186 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.4 mt -53.34 -3.2 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -177.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.46 -46.24 89.41 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 121.569 -0.707 . . . . 0.0 110.586 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 pt -60.39 -86.32 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.295 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -70.79 125.38 26.68 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.647 0.26 . . . . 0.0 110.641 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 80.9 m80 . . . . . 0 N--CA 1.462 0.172 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.61 179.81 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.288 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.93 -50.14 67.62 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.73 -24.29 2.24 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.9 mm -106.91 114.54 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 O-C-N 123.937 0.773 . . . . 0.0 110.421 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.8 t -74.93 151.02 38.91 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.48 -15.7 59.83 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 111.295 0.109 . . . . 0.0 111.295 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.1 mt -115.11 -77.91 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 O-C-N 124.743 1.277 . . . . 0.0 110.722 -178.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.41 -11.93 26.93 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -176.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.4 -18.37 8.57 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-O 118.135 -1.37 . . . . 0.0 113.203 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -166.19 18.24 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 119.456 1.628 . . . . 0.0 115.195 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -93.62 6.13 49.29 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-N 118.696 0.68 . . . . 0.0 111.304 177.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.16 64.11 4.88 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.688 0.756 . . . . 0.0 109.08 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -173.4 -11.73 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.242 178.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -147.78 -136.75 0.08 Allowed 'General case' 0 CA--C 1.546 0.818 0 O-C-N 123.373 0.421 . . . . 0.0 111.481 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -59.96 131.97 52.5 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 117.543 0.156 . . . . 0.0 110.714 -178.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -99.48 42.86 1.08 Allowed 'General case' 0 N--CA 1.465 0.296 0 O-C-N 124.535 1.147 . . . . 0.0 109.481 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -79.57 -34.83 40.56 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.248 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.7 p -79.06 -13.46 59.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.786 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -65.76 -34.34 77.96 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.221 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 36.0 mmm -75.42 145.19 41.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.272 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -68.68 140.85 55.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.627 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.7 mt -126.0 146.56 49.83 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 124.654 1.221 . . . . 0.0 109.272 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.3 p -79.93 2.65 22.64 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.598 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -151.85 158.35 43.13 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.915 0.759 . . . . 0.0 109.585 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.9 p -139.56 161.53 37.27 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 124.311 1.007 . . . . 0.0 110.151 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -65.94 137.86 57.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.405 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -64.17 -39.09 93.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.187 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -79.93 107.33 12.63 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.588 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -62.8 -46.22 89.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.756 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -73.88 141.57 46.06 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.31 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -74.06 150.27 40.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.485 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.4 t -73.09 121.85 20.87 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.382 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -77.04 97.28 4.63 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.013 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.6 p -64.47 -44.32 91.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -147.16 150.66 35.38 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 124.03 0.831 . . . . 0.0 109.527 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -79.15 45.54 0.64 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -71.05 -109.8 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 t -152.09 -158.72 0.93 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 t 38.93 48.06 1.33 Allowed 'General case' 0 C--N 1.352 0.689 0 O-C-N 124.427 1.079 . . . . 0.0 111.526 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -47.67 -29.57 3.1 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 114.196 -1.365 . . . . 0.0 111.331 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.5 mt -61.63 -46.43 89.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.415 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 19.7 t -93.33 112.45 24.38 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -70.69 -36.15 73.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.102 -178.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -71.28 -27.55 63.51 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -177.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.2 m -59.5 -25.12 64.2 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.682 0.277 . . . . 0.0 110.886 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -55.79 -43.45 76.85 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.35 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -79.36 -53.55 6.81 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.2 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -140.4 114.91 9.39 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 124.387 1.054 . . . . 0.0 109.238 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -53.02 137.93 31.85 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 124.219 0.949 . . . . 0.0 110.684 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.89 14.69 12.48 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 124.989 1.431 . . . . 0.0 110.283 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.1 mt -57.04 -3.63 0.14 Allowed 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -178.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.8 -43.28 99.22 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.816 -0.552 . . . . 0.0 111.209 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.92 -54.79 29.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.779 -178.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -56.12 -42.37 76.78 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 118.022 0.374 . . . . 0.0 110.658 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 49.2 m80 . . . . . 0 N--CA 1.462 0.152 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.232 179.232 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.458 0.147 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -68.76 -50.35 51.2 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -48.86 -27.85 3.34 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.18 0.925 . . . . 0.0 113.448 -178.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.5 mt -110.1 112.92 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 O-C-N 124.593 1.183 . . . . 0.0 109.566 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.4 t -69.29 148.54 49.61 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 177.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.85 -12.68 60.21 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.404 0.149 . . . . 0.0 111.404 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.6 mm -116.4 -77.6 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 124.94 1.4 . . . . 0.0 111.38 -178.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -66.3 -9.66 34.97 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -176.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.2 -20.84 5.45 Favored Glycine 0 CA--C 1.521 0.457 0 CA-C-O 118.377 -1.235 . . . . 0.0 113.526 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -167.05 16.74 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 119.458 1.629 . . . . 0.0 114.413 -179.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.498 HD22 ' N ' ' A' ' 26' ' ' ASN . 1.1 m-80 -93.48 7.09 45.92 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 118.225 0.466 . . . . 0.0 110.265 177.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.26 -61.65 1.97 Allowed 'General case' 0 C--O 1.233 0.214 0 O-C-N 124.724 1.265 . . . . 0.0 108.808 -179.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.84 -45.89 80.54 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.415 178.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.09 -175.31 1.14 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.096 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -55.84 138.4 48.32 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.866 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -88.46 40.94 0.99 Allowed 'General case' 0 C--N 1.344 0.344 0 O-C-N 124.034 0.834 . . . . 0.0 110.291 -178.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -82.75 -33.92 27.29 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.173 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.8 p -79.5 -10.71 59.85 Favored 'General case' 0 C--O 1.225 -0.188 0 O-C-N 123.595 0.559 . . . . 0.0 110.761 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.52 -36.64 83.19 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.428 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 63.5 mtt -69.04 -43.0 75.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.752 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -81.23 142.16 33.44 Favored 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.599 0.562 . . . . 0.0 110.84 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.0 mt -93.59 17.37 11.8 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 123.975 0.797 . . . . 0.0 109.736 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.8 p -82.7 163.9 21.04 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.798 0.686 . . . . 0.0 110.439 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -78.44 147.73 33.88 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.331 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.9 m -59.88 127.01 29.8 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.495 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -84.33 119.44 25.09 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.766 0.666 . . . . 0.0 110.802 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -68.89 140.37 55.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.116 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -69.02 137.71 53.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.935 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -62.07 -49.08 77.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.876 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -67.03 131.62 46.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.865 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -150.1 2.75 0.51 Allowed 'General case' 0 N--CA 1.471 0.594 0 O-C-N 123.915 0.759 . . . . 0.0 110.192 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.0 m -61.56 -46.36 90.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 62.8 tt0 -77.41 138.42 39.27 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.77 106.01 0.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.56 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -77.36 -49.71 14.34 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.095 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -163.7 104.28 0.93 Allowed 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.378 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -74.77 67.74 1.64 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.605 0.717 . . . . 0.0 109.483 179.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 13.3 m -70.56 -72.54 0.2 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.515 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 75.8 m -94.34 76.11 3.92 Favored 'General case' 0 C--N 1.342 0.282 0 O-C-N 124.128 0.893 . . . . 0.0 110.685 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -49.13 -27.38 3.42 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 115.025 -0.988 . . . . 0.0 111.708 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 32.0 mt -65.11 -43.99 90.25 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 10.9 t -92.49 112.44 24.39 Favored 'General case' 0 C--N 1.348 0.501 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -68.14 -31.38 70.92 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.413 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -75.12 -29.05 60.44 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.8 -23.91 65.4 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-O 120.672 0.273 . . . . 0.0 110.802 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -57.43 -35.44 70.09 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.873 -178.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -93.57 -52.86 4.29 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.023 0.827 . . . . 0.0 111.521 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -137.78 117.3 12.92 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 124.427 1.079 . . . . 0.0 109.998 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.5 mmtt -54.68 137.78 43.22 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.273 0.983 . . . . 0.0 111.183 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.16 22.12 8.72 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 124.943 1.402 . . . . 0.0 110.489 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.6 mt -62.38 1.17 0.37 Allowed 'General case' 0 N--CA 1.481 1.08 0 O-C-N 121.229 -0.92 . . . . 0.0 113.194 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.48 -45.4 69.06 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 121.7 -0.625 . . . . 0.0 110.974 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.3 pt -62.29 -42.83 96.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 120.479 -0.488 . . . . 0.0 111.657 -178.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -58.21 -46.11 86.43 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 117.703 0.229 . . . . 0.0 110.609 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 . . . . . 0 N--CA 1.464 0.247 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.591 179.403 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.515 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -80.11 -50.43 10.33 Favored 'General case' 0 C--O 1.223 -0.3 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.43 -51.18 69.79 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -178.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.9 mt -99.69 110.37 26.71 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.45 0 O-C-N 123.998 0.811 . . . . 0.0 109.643 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.3 t -73.24 143.38 47.12 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 177.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.46 -14.63 61.39 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -177.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.8 mt -114.49 -71.08 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 O-C-N 124.67 1.231 . . . . 0.0 111.923 -176.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -80.52 -19.74 45.11 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 -175.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.77 -10.11 20.18 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-O 118.57 -1.128 . . . . 0.0 113.317 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -155.16 15.88 0.41 Allowed 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 -177.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.74 HD21 ' H ' ' A' ' 33' ' ' THR . 2.1 m-20 -83.28 -39.41 20.87 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.873 -0.517 . . . . 0.0 109.771 176.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.26 -29.58 63.94 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.117 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -65.26 -35.4 80.92 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.365 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -128.28 -113.02 0.27 Allowed 'General case' 0 CA--C 1.552 1.055 0 O-C-N 124.279 0.987 . . . . 0.0 112.012 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -88.92 167.94 12.8 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 123.224 0.61 . . . . 0.0 111.349 -178.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -122.9 66.12 0.97 Allowed 'General case' 0 C--N 1.349 0.568 0 O-C-N 124.368 1.043 . . . . 0.0 110.48 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -102.95 -36.49 8.18 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 124.544 1.152 . . . . 0.0 111.54 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.74 ' H ' HD21 ' A' ' 26' ' ' ASN . 4.9 p -84.43 -6.25 59.36 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 123.781 0.675 . . . . 0.0 110.334 -179.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.24 -32.02 72.66 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.978 0.418 . . . . 0.0 110.464 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.4 mmm -64.03 -41.31 97.46 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.619 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -82.2 113.28 19.92 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 123.653 0.596 . . . . 0.0 111.273 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.7 mt -85.83 130.65 34.49 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.238 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.1 t -156.46 155.22 31.68 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.624 0.577 . . . . 0.0 110.5 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -158.78 118.14 3.08 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.568 0.543 . . . . 0.0 110.212 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.1 t -157.54 153.08 26.38 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.434 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -80.94 120.41 24.71 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.607 0.567 . . . . 0.0 109.693 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -72.41 137.53 46.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.794 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -71.2 141.39 50.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.882 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -62.23 -43.38 98.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.237 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -67.13 134.94 52.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.709 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -151.6 149.85 29.63 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 124.004 0.815 . . . . 0.0 110.139 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 91.9 m -64.27 -39.27 93.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.396 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -131.96 141.52 49.33 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 124.244 0.965 . . . . 0.0 110.227 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.6 p -163.96 155.33 16.26 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.232 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -140.12 142.22 36.05 Favored 'General case' 0 C--N 1.343 0.284 0 O-C-N 124.184 0.927 . . . . 0.0 108.922 179.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -100.13 -1.77 35.83 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 124.195 0.934 . . . . 0.0 109.892 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.36 -40.48 96.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.553 -178.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 47.4 m -108.68 172.5 6.81 Favored 'General case' 0 C--N 1.345 0.403 0 O-C-N 124.193 0.933 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.7 p -55.04 -21.51 12.58 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.612 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 t0 73.38 -7.61 1.5 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.218 1.007 . . . . 0.0 111.28 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.0 mt -66.27 -44.6 83.15 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 t -90.8 133.47 35.18 Favored 'General case' 0 C--N 1.347 0.462 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 178.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -76.19 -39.14 55.48 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -176.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -79.28 -20.06 48.99 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -177.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.6 m -68.86 -27.32 65.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.384 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -50.58 -37.81 41.97 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.977 0.798 . . . . 0.0 111.91 -177.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -91.3 -53.5 4.32 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.994 0.809 . . . . 0.0 111.506 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -142.44 116.11 9.18 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 124.233 0.958 . . . . 0.0 110.155 -178.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -46.89 144.93 2.21 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 124.321 1.013 . . . . 0.0 112.594 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.03 22.15 9.62 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 124.718 1.261 . . . . 0.0 110.433 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.79 8.03 0.1 Allowed 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.12 -38.22 90.28 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 121.308 -0.87 . . . . 0.0 110.399 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.82 -71.03 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 O-C-N 123.457 0.473 . . . . 0.0 111.542 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -74.94 123.05 24.42 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.048 0.452 . . . . 0.0 111.011 178.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 . . . . . 0 N--CA 1.462 0.169 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.043 179.894 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.335 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -65.58 -50.64 64.36 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -48.22 -25.06 1.36 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -178.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.7 mt -107.13 112.53 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 124.158 0.911 . . . . 0.0 109.167 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.6 t -72.6 151.87 42.1 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.79 -14.41 59.59 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 122.41 -0.181 . . . . 0.0 111.262 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.0 mt -114.71 -78.23 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 O-C-N 124.852 1.345 . . . . 0.0 110.213 -178.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.39 -10.16 15.63 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -176.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.46 -18.69 5.35 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-O 118.247 -1.307 . . . . 0.0 112.841 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -165.78 18.92 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.486 HD22 ' N ' ' A' ' 26' ' ' ASN . 1.4 m-80 -93.93 3.3 55.57 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-N 119.282 0.946 . . . . 0.0 112.016 177.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.94 64.72 2.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.924 0.869 . . . . 0.0 109.584 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -174.86 -16.94 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.111 -0.949 . . . . 0.0 111.037 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -132.6 -143.94 0.23 Allowed 'General case' 0 N--CA 1.478 0.953 0 O-C-N 124.177 0.923 . . . . 0.0 110.932 -178.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -65.16 138.08 58.04 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -96.92 45.15 1.05 Allowed 'General case' 0 CA--C 1.532 0.268 0 O-C-N 124.479 1.112 . . . . 0.0 109.902 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -83.04 -33.55 26.45 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.295 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.5 p -78.9 -15.3 58.51 Favored 'General case' 0 CA--C 1.517 -0.309 0 O-C-N 123.52 0.513 . . . . 0.0 110.323 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -64.52 -40.0 94.81 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.343 -0.543 . . . . 0.0 109.858 -179.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 47.1 mtp -66.98 -41.41 86.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.653 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -74.91 136.47 41.43 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.272 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.5 mt -79.69 144.05 34.04 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.425 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.6 p -77.61 163.97 25.76 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.215 0.322 . . . . 0.0 110.418 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -81.46 142.03 33.32 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.675 0.609 . . . . 0.0 110.968 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.7 p -66.45 -34.13 77.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.129 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -72.81 156.63 38.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.618 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -64.95 133.55 52.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.06 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -72.96 143.28 47.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -76.1 140.36 41.8 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.477 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -70.38 136.74 49.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.901 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -73.48 130.09 39.37 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.002 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 94.8 m -66.92 -39.23 87.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.759 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -66.67 139.49 57.86 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.3 p -163.91 160.86 22.55 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -140.97 145.0 35.42 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 124.273 0.983 . . . . 0.0 110.134 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -73.12 -6.92 48.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.862 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -57.51 -72.07 0.09 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.478 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 13.8 t -96.76 -125.93 0.14 Allowed 'General case' 0 N--CA 1.475 0.811 0 O-C-N 123.994 0.809 . . . . 0.0 110.63 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 92.6 p -126.1 -123.8 0.24 Allowed 'General case' 0 C--N 1.35 0.628 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -146.64 -9.88 0.47 Allowed 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.364 0.415 . . . . 0.0 111.242 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.3 mt -64.6 -54.39 32.81 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.3 t -94.44 110.56 22.33 Favored 'General case' 0 C--N 1.342 0.277 0 O-C-N 123.903 0.752 . . . . 0.0 109.295 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -69.99 -32.01 69.99 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -75.05 -25.95 59.04 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -177.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.2 m -60.47 -28.12 68.08 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.65 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -59.2 -40.45 85.81 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.702 -178.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -84.6 -53.07 5.65 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 123.672 0.608 . . . . 0.0 111.544 -179.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -136.72 115.75 12.39 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 124.511 1.132 . . . . 0.0 109.548 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -54.83 134.63 48.11 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.83 0.706 . . . . 0.0 111.392 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.72 10.8 10.37 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 124.88 1.362 . . . . 0.0 110.509 179.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.2 mt -56.63 -2.22 0.07 Allowed 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -177.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.25 -41.64 94.1 Favored 'General case' 0 C--O 1.232 0.158 0 O-C-N 121.402 -0.812 . . . . 0.0 111.371 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -58.38 -57.77 9.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -178.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -56.28 -41.93 76.66 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 117.923 0.329 . . . . 0.0 111.232 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 54.5 m80 . . . . . 0 N--CA 1.464 0.242 0 CA-C-O 120.83 0.348 . . . . 0.0 110.511 179.455 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.46 0.252 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -65.59 -50.39 65.29 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.15 -24.55 0.46 Allowed 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -179.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.9 mt -106.65 113.79 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 O-C-N 124.28 0.988 . . . . 0.0 109.675 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.0 t -73.0 153.07 41.07 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 177.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.4 -15.83 58.26 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.828 -0.169 . . . . 0.0 111.101 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.1 mt -114.45 -79.03 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 124.752 1.282 . . . . 0.0 109.694 -178.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.07 -8.41 5.35 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -177.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.65 -19.62 3.95 Favored Glycine 0 CA--C 1.524 0.638 0 CA-C-O 118.541 -1.144 . . . . 0.0 113.161 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -166.53 17.15 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 115.389 1.625 . . . . 0.0 115.389 -178.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.499 HD22 ' N ' ' A' ' 26' ' ' ASN . 1.1 m-80 -94.1 11.31 30.37 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 118.947 0.794 . . . . 0.0 111.285 177.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.87 63.51 6.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.231 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -178.18 -12.26 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.09 178.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -134.56 -153.58 0.53 Allowed 'General case' 0 N--CA 1.477 0.917 0 O-C-N 123.813 0.696 . . . . 0.0 111.519 -178.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -56.99 123.07 13.89 Favored 'General case' 0 C--N 1.342 0.251 0 C-N-CA 122.445 0.298 . . . . 0.0 111.306 -178.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -83.88 46.71 1.21 Allowed 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.69 0.619 . . . . 0.0 110.454 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -85.56 -32.76 21.96 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.35 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.9 p -79.27 -14.59 58.93 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.292 -179.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -64.9 -36.86 85.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.337 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 44.6 mtp -65.48 -41.91 92.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.785 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -167.24 150.92 6.53 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.737 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.9 mt -86.25 17.72 3.54 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 123.73 0.644 . . . . 0.0 110.21 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.0 p -68.27 -42.59 79.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.596 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -82.52 135.06 35.19 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.779 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.0 p -119.29 132.43 55.9 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 124.416 1.073 . . . . 0.0 109.725 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -85.09 109.24 18.1 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.837 0.71 . . . . 0.0 110.653 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -78.55 134.71 37.22 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.617 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -76.26 141.74 41.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.87 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -76.6 108.6 9.71 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.347 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -79.61 -0.69 34.78 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.575 0.547 . . . . 0.0 109.879 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -61.99 -43.58 98.54 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.128 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -165.42 141.72 5.43 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.293 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -125.52 119.07 27.19 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 124.452 1.095 . . . . 0.0 110.256 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.3 m -62.0 -41.31 97.92 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.658 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -148.08 156.47 42.65 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 124.232 0.958 . . . . 0.0 109.454 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -87.25 78.93 8.7 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 124.013 0.821 . . . . 0.0 110.47 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 50.49 99.03 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 O-C-N 124.282 0.989 . . . . 0.0 110.899 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 18.3 m -84.11 -78.37 0.24 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.745 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.1 m -57.96 -41.01 81.97 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.496 -178.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 71.31 49.41 0.32 Allowed 'General case' 0 N--CA 1.468 0.471 0 O-C-N 125.104 1.503 . . . . 0.0 112.151 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 pp -165.24 -39.79 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.671 178.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 11.3 t -94.64 133.75 37.95 Favored 'General case' 0 C--N 1.346 0.418 0 O-C-N 124.462 1.101 . . . . 0.0 108.701 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -79.49 -43.85 22.39 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -177.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -74.8 -22.89 58.49 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -177.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.6 m -61.49 -20.54 63.3 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.924 0.393 . . . . 0.0 110.812 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -59.19 -41.86 89.51 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -178.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -92.5 -49.14 6.28 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.985 0.803 . . . . 0.0 111.693 -178.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -138.36 120.59 15.79 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 124.59 1.181 . . . . 0.0 109.721 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -56.91 138.97 53.09 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 124.026 0.829 . . . . 0.0 110.711 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.44 12.14 11.56 Favored 'General case' 0 C--O 1.212 -0.913 0 O-C-N 125.062 1.476 . . . . 0.0 110.645 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.0 mp -55.53 -3.84 0.08 Allowed 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 -177.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.6 -41.32 98.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.474 -0.766 . . . . 0.0 111.012 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.91 -55.31 24.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -56.73 -41.64 77.85 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 117.992 0.36 . . . . 0.0 110.902 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 . . . . . 0 N--CA 1.462 0.169 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.633 179.669 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.385 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.23 -53.36 50.43 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -49.65 -25.5 2.91 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -178.057 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.5 mt -107.96 114.51 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 O-C-N 124.32 1.012 . . . . 0.0 109.532 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.1 t -73.49 151.3 41.09 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.81 -14.54 59.55 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 111.244 0.09 . . . . 0.0 111.244 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.3 mt -114.95 -78.53 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 O-C-N 124.72 1.262 . . . . 0.0 110.099 -178.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.15 -9.32 10.47 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.73 -19.29 5.14 Favored Glycine 0 CA--C 1.527 0.801 0 CA-C-O 118.205 -1.331 . . . . 0.0 113.063 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -165.98 18.27 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 115.61 1.708 . . . . 0.0 115.61 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -94.54 9.41 38.69 Favored 'General case' 0 N--CA 1.503 2.201 0 CA-C-N 119.489 1.04 . . . . 0.0 112.084 178.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.26 66.18 9.42 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.39 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -140.29 -41.01 0.42 Allowed 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 114.673 -1.149 . . . . 0.0 109.751 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -158.62 -68.78 0.09 Allowed 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -79.41 140.46 37.41 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -178.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -125.0 42.99 3.15 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 124.702 1.251 . . . . 0.0 109.607 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -80.48 -36.12 33.86 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.698 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.6 p -79.67 -12.61 59.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.948 -178.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -65.43 -35.9 82.32 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.282 -179.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 47.9 mtm -67.12 -41.97 85.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.539 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -164.77 137.96 4.82 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.6 mt -73.05 147.07 45.38 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 m -78.23 125.49 29.43 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.557 0.536 . . . . 0.0 110.262 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -63.1 -48.83 76.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 m -73.66 131.51 41.73 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.183 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -144.29 17.64 1.71 Allowed 'General case' 0 N--CA 1.474 0.74 0 O-C-N 123.919 0.762 . . . . 0.0 109.974 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -69.53 -40.29 77.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.972 179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -71.0 149.12 46.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.523 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -70.58 143.58 51.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.776 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.71 -41.61 99.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.351 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -156.95 105.88 2.2 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.587 0.555 . . . . 0.0 110.471 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 94.0 m -65.72 -40.49 92.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.676 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -70.13 150.11 46.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.189 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.7 p -160.77 162.1 32.31 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.546 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -154.74 -39.32 0.09 Allowed 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.85 0.719 . . . . 0.0 109.935 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -148.1 90.32 1.81 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 124.092 0.87 . . . . 0.0 110.309 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -77.68 62.36 2.56 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.761 0.791 . . . . 0.0 109.792 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 6.3 m -69.82 -68.63 0.4 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.833 -179.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.0 m -99.94 81.36 2.42 Favored 'General case' 0 CA--C 1.512 -0.509 0 O-C-N 124.253 0.971 . . . . 0.0 110.718 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -53.51 -26.46 20.93 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.3 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.1 mt -63.45 -44.9 93.17 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 9.8 t -92.54 115.99 28.6 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 124.061 0.85 . . . . 0.0 109.362 178.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -66.8 -37.24 84.15 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -177.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -73.7 -27.46 61.22 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -178.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.5 m -62.38 -17.27 58.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.728 0.299 . . . . 0.0 111.248 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -61.31 -42.29 98.42 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -178.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -112.23 -42.83 3.64 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.184 0.927 . . . . 0.0 112.433 -178.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -115.78 108.09 15.89 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 124.308 1.005 . . . . 0.0 110.282 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -64.37 131.93 48.64 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.544 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.27 10.33 14.78 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 125.208 1.567 . . . . 0.0 110.715 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.3 mt -54.71 -2.45 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -177.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.95 -46.31 85.26 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.413 -0.804 . . . . 0.0 110.705 179.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.2 pt -61.33 -85.2 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.601 -178.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -68.78 129.78 40.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.754 0.312 . . . . 0.0 110.946 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 . . . . . 0 N--CA 1.462 0.145 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.653 179.876 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.602 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -74.67 -51.56 14.04 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -60.55 -49.27 78.23 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.36 -178.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.5 mp -104.06 124.77 58.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.661 0 O-C-N 124.038 0.836 . . . . 0.0 110.021 -178.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.7 t -78.87 147.79 33.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.668 -1.151 . . . . 0.0 108.718 178.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.93 -11.01 60.42 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.6 mt -118.0 -76.02 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 O-C-N 124.525 1.141 . . . . 0.0 111.579 -177.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -67.86 -29.86 69.09 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.699 -176.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.64 -19.52 44.17 Favored Glycine 0 CA--C 1.523 0.539 0 O-C-N 124.508 1.13 . . . . 0.0 111.924 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -145.51 16.88 1.48 Allowed 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 116.337 1.977 . . . . 0.0 116.337 -175.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -91.21 -33.17 15.5 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 119.293 0.951 . . . . 0.0 112.615 178.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.31 -30.38 50.88 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 123.418 0.449 . . . . 0.0 110.485 -177.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -70.74 -36.78 73.31 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.346 178.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -117.13 -134.83 0.34 Allowed 'General case' 0 N--CA 1.484 1.235 0 O-C-N 124.357 1.035 . . . . 0.0 111.461 -178.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -72.95 176.78 5.4 Favored 'General case' 0 C--N 1.348 0.5 0 CA-C-O 119.146 -0.454 . . . . 0.0 110.324 -179.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -127.28 42.13 3.38 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 124.185 0.928 . . . . 0.0 110.552 -178.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -84.12 -34.34 24.12 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.255 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.1 p -81.67 -4.24 55.69 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.405 0.441 . . . . 0.0 110.84 -178.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -67.23 -11.3 57.06 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.715 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 39.2 mmm -69.84 156.03 39.66 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -73.62 88.25 1.68 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.126 0.488 . . . . 0.0 110.59 -179.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.2 mt -75.66 142.28 42.58 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.863 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.6 p -64.98 -44.91 87.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -81.12 133.17 35.42 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.521 0.513 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.7 p -65.56 -50.6 64.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.519 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -89.85 109.53 20.53 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 124.151 0.907 . . . . 0.0 110.535 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.1 ttt-85 -64.78 -45.27 87.06 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -158.75 170.35 22.34 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.609 0.568 . . . . 0.0 110.592 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -72.6 131.45 42.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.536 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -70.84 135.85 48.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.139 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -72.81 153.21 41.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.764 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.0 m -69.37 165.87 19.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.738 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -64.11 91.69 0.07 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.364 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.3 m -62.54 -40.63 97.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.748 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -149.06 153.41 37.79 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.981 0.801 . . . . 0.0 110.499 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -94.75 -2.23 51.42 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 124.345 1.028 . . . . 0.0 109.939 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -61.35 -36.46 80.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.144 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.1 t -99.88 150.5 22.32 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 124.122 0.889 . . . . 0.0 110.32 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.9 m -63.91 1.5 0.65 Allowed 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 t70 72.6 -9.36 1.08 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.457 1.103 . . . . 0.0 112.659 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.79 -51.41 59.26 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 5.1 t -93.24 130.59 38.9 Favored 'General case' 0 C--N 1.343 0.309 0 O-C-N 124.095 0.872 . . . . 0.0 109.041 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -76.7 -37.08 56.73 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -177.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -76.59 -23.5 53.47 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -177.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.6 m -67.14 -19.48 65.61 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.908 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -59.19 -36.98 76.29 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.296 -178.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -94.86 -50.37 5.16 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 124.027 0.829 . . . . 0.0 111.755 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -140.72 112.6 7.65 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 124.127 0.892 . . . . 0.0 111.107 -178.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -48.59 142.8 5.61 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 123.977 0.798 . . . . 0.0 112.654 -179.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -124.44 20.65 8.74 Favored 'General case' 0 N--CA 1.477 0.882 0 O-C-N 124.92 1.388 . . . . 0.0 110.465 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.1 mt -64.77 5.79 0.28 Allowed 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -178.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.03 -41.31 97.46 Favored 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 121.453 -0.78 . . . . 0.0 110.562 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 pt -70.38 -69.79 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 O-C-N 123.608 0.568 . . . . 0.0 111.704 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -72.09 116.99 13.16 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.123 0.42 . . . . 0.0 110.635 178.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 . . . . . 0 N--CA 1.464 0.259 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.617 179.744 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.27 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -69.96 -50.66 39.65 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -50.11 -30.8 11.81 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 114.117 1.155 . . . . 0.0 114.117 -177.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.4 mt -110.0 118.36 56.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 124.666 1.229 . . . . 0.0 109.775 -179.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.2 t -74.22 149.2 40.97 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 178.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.94 -14.72 59.83 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 111.282 0.105 . . . . 0.0 111.282 -178.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.9 mt -113.75 -77.47 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 124.935 1.397 . . . . 0.0 110.586 -178.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -65.41 -8.92 21.14 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -176.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.26 -19.54 5.53 Favored Glycine 0 CA--C 1.522 0.524 0 CA-C-O 118.192 -1.338 . . . . 0.0 113.348 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 45.9 p-10 -164.43 19.03 0.06 Allowed 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 119.75 1.775 . . . . 0.0 115.205 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -91.08 -4.1 56.59 Favored 'General case' 0 N--CA 1.502 2.139 0 CA-C-N 119.607 1.094 . . . . 0.0 112.026 178.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.89 60.0 3.96 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -153.5 -31.91 0.12 Allowed 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.911 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -136.4 -94.13 0.24 Allowed 'General case' 0 N--CA 1.472 0.655 0 O-C-N 124.226 0.954 . . . . 0.0 112.489 -178.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -88.18 166.67 14.21 Favored 'General case' 0 CA--C 1.513 -0.448 0 O-C-N 123.591 0.557 . . . . 0.0 110.479 -178.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -133.82 40.66 3.08 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 124.79 1.306 . . . . 0.0 109.049 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -80.83 -36.42 31.58 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.822 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.0 p -79.43 -10.58 59.83 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 123.622 0.576 . . . . 0.0 111.004 -178.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.38 -33.71 76.48 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.304 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 31.0 mmm -64.77 -41.57 95.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.549 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -157.73 151.49 24.02 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 123.629 0.58 . . . . 0.0 110.773 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 72.9 mt -72.82 146.05 46.56 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.3 p -137.5 169.22 18.16 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 124.629 1.205 . . . . 0.0 110.256 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -71.53 133.11 45.58 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.229 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 54.2 m -76.42 131.95 39.39 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 123.579 0.549 . . . . 0.0 110.336 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -84.3 96.23 8.96 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.79 0.681 . . . . 0.0 110.543 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -72.79 144.1 47.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.884 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -72.86 107.64 5.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.294 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -60.8 -47.36 86.71 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.911 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -130.37 140.85 50.59 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 124.602 1.188 . . . . 0.0 110.013 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -80.6 97.18 7.09 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.953 0.783 . . . . 0.0 110.38 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.3 m -70.29 -53.25 17.62 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.835 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -131.98 165.53 23.72 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 124.421 1.076 . . . . 0.0 110.251 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.2 t -161.28 85.24 0.66 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.452 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -63.3 -48.15 79.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.343 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.28 -20.53 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.072 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 48.56 70.51 0.45 Allowed 'General case' 0 C--N 1.349 0.558 0 O-C-N 124.181 0.926 . . . . 0.0 110.162 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 95.8 m -71.69 -55.72 7.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.973 -178.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.7 p -114.05 79.89 1.31 Allowed 'General case' 0 CA--C 1.512 -0.509 0 O-C-N 124.673 1.233 . . . . 0.0 110.429 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -55.0 -17.88 4.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.819 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 45.1 mt -63.59 -43.71 96.16 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 178.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.2 t -93.84 117.63 30.36 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 124.058 0.849 . . . . 0.0 108.89 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -64.91 -37.32 87.26 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -176.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.29 -26.94 52.82 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -178.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.19 -25.08 63.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.931 0.396 . . . . 0.0 111.297 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -61.41 -34.6 75.63 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.354 -178.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -97.34 -50.17 4.65 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 124.022 0.826 . . . . 0.0 111.978 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -136.14 117.81 14.98 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 124.285 0.99 . . . . 0.0 110.531 -178.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt -57.96 137.31 56.88 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.718 0.636 . . . . 0.0 111.112 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.79 16.43 9.44 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 125.285 1.615 . . . . 0.0 110.827 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.4 mt -58.21 0.24 0.07 Allowed 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -177.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.76 -43.99 74.65 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.404 -0.81 . . . . 0.0 110.879 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.3 pt -64.14 -42.72 96.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 120.643 -0.423 . . . . 0.0 112.082 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -57.45 -46.67 83.34 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 117.588 0.176 . . . . 0.0 110.74 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 74.8 m80 . . . . . 0 N--CA 1.464 0.253 0 O-C-N 123.287 0.367 . . . . 0.0 110.436 179.269 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.461 0.333 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -66.36 -51.2 59.57 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.78 -23.64 1.95 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 -178.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.1 mt -109.36 115.56 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 O-C-N 124.191 0.932 . . . . 0.0 109.594 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.0 t -74.53 151.61 39.46 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.94 -15.32 59.7 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 122.553 -0.092 . . . . 0.0 111.14 -178.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.6 mt -114.83 -78.39 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 O-C-N 124.812 1.32 . . . . 0.0 110.289 -178.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.9 m -63.08 -10.43 14.41 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -176.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.05 -17.64 7.1 Favored Glycine 0 CA--C 1.524 0.654 0 CA-C-O 118.342 -1.255 . . . . 0.0 113.229 179.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -166.22 17.49 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 115.459 1.652 . . . . 0.0 115.459 -179.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -95.0 9.4 39.57 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-N 119.168 0.895 . . . . 0.0 112.193 178.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.48 66.54 9.73 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.17 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -139.67 -40.09 0.46 Allowed 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.927 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -162.34 -64.71 0.05 OUTLIER 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -80.57 141.73 34.8 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -126.01 42.43 3.3 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 124.586 1.179 . . . . 0.0 109.168 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -79.97 -36.0 36.72 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.892 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.4 p -80.04 -12.44 59.69 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.873 -178.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -65.25 -33.42 75.95 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.259 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 57.7 mtp -72.15 132.14 43.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.239 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -85.04 92.46 8.36 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.865 0.728 . . . . 0.0 110.695 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.9 mt -76.24 149.14 37.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.592 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.2 p -63.88 -43.58 95.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.717 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -74.17 138.87 44.08 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.264 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.3 m -63.63 127.29 30.7 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.205 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -80.94 117.17 21.34 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.771 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -70.07 143.22 52.52 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -63.76 139.79 58.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.237 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -73.33 139.11 45.81 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.367 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -153.17 136.93 16.1 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.877 0.736 . . . . 0.0 109.649 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -152.33 137.91 17.78 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 124.04 0.837 . . . . 0.0 109.985 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 94.9 m -64.79 -36.67 85.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.692 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -62.29 142.28 57.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.991 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.2 p -161.51 162.93 30.53 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.647 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -157.7 136.09 11.14 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.0 m80 30.39 83.59 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.238 0 O-C-N 125.451 1.72 . . . . 0.0 112.159 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -75.08 67.54 1.77 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.058 0.456 . . . . 0.0 110.636 -178.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 94.2 m -79.18 -73.07 0.36 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.261 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.9 m -97.42 82.15 3.08 Favored 'General case' 0 C--N 1.347 0.496 0 O-C-N 123.81 0.694 . . . . 0.0 110.147 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -59.49 -22.3 61.37 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.75 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 25.9 mt -63.22 -47.29 83.11 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 10.7 t -93.63 114.05 26.29 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 124.063 0.852 . . . . 0.0 108.711 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -67.11 -37.26 83.59 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -177.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.61 -29.1 64.29 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -177.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.64 -26.35 65.44 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-O 120.908 0.385 . . . . 0.0 110.935 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -61.3 -42.05 98.01 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.56 -178.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -87.03 -52.08 5.64 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 123.709 0.631 . . . . 0.0 112.048 -178.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -134.99 119.56 18.11 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 124.456 1.098 . . . . 0.0 109.871 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -58.65 134.63 56.95 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.626 0.579 . . . . 0.0 110.833 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.86 8.63 12.68 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 124.977 1.423 . . . . 0.0 110.632 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.9 mt -56.46 -1.11 0.05 OUTLIER 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -177.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.89 -43.04 94.19 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.404 -0.81 . . . . 0.0 110.728 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 pt -63.27 -73.0 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.731 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -75.93 114.66 14.81 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 117.987 0.358 . . . . 0.0 110.914 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 . . . . . 0 N--CA 1.466 0.344 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.24 179.521 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.517 0.212 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.4 mptt 51.33 79.44 0.1 Allowed 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.481 0.658 . . . . 0.0 110.673 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -45.78 -26.15 0.61 Allowed 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 114.234 -1.348 . . . . 0.0 112.64 -178.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.8 mt -104.88 112.6 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.4 t -71.5 151.65 43.72 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.42 -15.1 59.52 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 111.236 0.087 . . . . 0.0 111.236 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.4 mt -114.48 -78.39 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 O-C-N 124.748 1.28 . . . . 0.0 110.015 -178.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.9 m -63.09 -7.91 6.58 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 -177.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.45 -18.92 4.14 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-O 118.078 -1.401 . . . . 0.0 112.93 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -166.2 17.91 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 116.142 1.904 . . . . 0.0 116.142 -178.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.491 HD22 ' N ' ' A' ' 26' ' ' ASN . 1.4 m-80 -94.02 11.18 30.63 Favored 'General case' 0 N--CA 1.501 2.113 0 CA-C-N 119.36 0.982 . . . . 0.0 111.973 178.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.9 65.24 7.52 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.951 0.881 . . . . 0.0 110.537 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -167.65 -17.57 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.098 -0.956 . . . . 0.0 112.028 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -145.49 -97.34 0.1 Allowed 'General case' 0 N--CA 1.472 0.638 0 O-C-N 123.888 0.743 . . . . 0.0 111.574 -178.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -81.59 157.61 24.67 Favored 'General case' 0 CA--C 1.515 -0.378 0 O-C-N 123.135 0.272 . . . . 0.0 110.605 -179.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -131.2 34.17 4.04 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 124.54 1.15 . . . . 0.0 109.169 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -82.52 -28.85 30.8 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.393 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.1 p -78.85 -14.04 59.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.843 -179.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -64.01 -42.07 97.25 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.187 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 45.1 mtp -66.81 -42.68 85.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.794 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -86.98 104.12 15.99 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.867 0.729 . . . . 0.0 110.74 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.3 mt -75.06 145.37 42.4 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.412 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.3 t -158.11 153.05 25.24 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.075 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -78.32 140.57 38.79 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.204 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.6 p -69.25 137.26 52.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.36 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -79.5 85.85 5.23 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.643 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -65.52 -42.11 92.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.36 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -71.44 142.08 50.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.577 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -72.19 139.73 48.37 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.858 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -130.79 151.03 51.67 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 124.329 1.018 . . . . 0.0 110.039 -179.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -68.92 117.98 11.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.739 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -163.67 165.81 22.91 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.39 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.81 152.46 27.07 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.01 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.2 p -161.82 164.51 28.76 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.193 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -146.92 146.59 30.19 Favored 'General case' 0 N--CA 1.461 0.114 0 O-C-N 124.104 0.878 . . . . 0.0 109.971 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -70.1 -28.56 65.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.675 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -61.75 -48.26 81.52 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -178.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 9.0 t -52.54 158.98 1.12 Allowed 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.3 m -80.53 -4.02 52.34 Favored 'General case' 0 C--O 1.227 -0.105 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.557 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 t70 67.46 52.17 0.81 Allowed 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.963 0.887 . . . . 0.0 112.829 178.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 pp -160.64 -41.58 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.069 177.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 9.3 t -93.6 114.87 27.3 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 124.223 0.952 . . . . 0.0 109.225 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -68.19 -34.85 77.05 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -177.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.24 -26.69 59.07 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -177.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.89 -27.3 68.05 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.882 0.372 . . . . 0.0 110.734 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -58.11 -44.64 87.81 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.108 -178.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -84.2 -51.0 7.38 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 123.723 0.639 . . . . 0.0 111.667 -178.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -134.39 113.06 11.49 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 124.459 1.1 . . . . 0.0 109.447 -178.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -56.33 135.37 53.78 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.615 0.572 . . . . 0.0 111.585 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -113.67 15.94 18.71 Favored 'General case' 0 C--O 1.214 -0.804 0 O-C-N 125.243 1.589 . . . . 0.0 110.385 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.7 mt -55.46 -3.23 0.06 Allowed 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -177.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.54 -48.08 78.97 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.414 -0.804 . . . . 0.0 110.555 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.3 pt -60.26 -93.06 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.554 -178.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -66.85 124.25 22.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.662 0.267 . . . . 0.0 110.97 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 79.8 m80 . . . . . 0 C--O 1.234 0.245 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.232 179.532 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.13 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt -67.67 -50.43 57.78 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -47.49 -21.67 0.36 Allowed 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -179.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.1 mm -108.42 111.74 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 O-C-N 123.615 0.572 . . . . 0.0 109.706 179.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.9 t -74.27 152.61 39.65 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.38 -15.94 59.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.864 -0.153 . . . . 0.0 111.171 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.0 mt -116.34 -78.65 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 O-C-N 124.784 1.303 . . . . 0.0 110.719 -177.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.3 -12.33 40.62 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -176.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.97 -13.43 14.02 Favored Glycine 0 CA--C 1.535 1.319 0 CA-C-O 118.227 -1.319 . . . . 0.0 113.466 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -164.38 18.83 0.06 Allowed 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -94.81 0.46 54.9 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-N 118.919 0.781 . . . . 0.0 111.474 177.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.71 55.21 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.816 0.817 . . . . 0.0 109.308 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -164.72 -7.28 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.194 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -154.07 -125.6 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.995 0 O-C-N 123.249 0.343 . . . . 0.0 110.989 -178.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -72.25 142.22 48.94 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -109.7 46.61 1.0 Allowed 'General case' 0 N--CA 1.467 0.385 0 O-C-N 124.783 1.302 . . . . 0.0 109.647 -179.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -81.03 -37.37 29.21 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.355 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.0 p -79.5 -11.71 59.89 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.659 0.599 . . . . 0.0 110.726 -178.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.34 -36.33 83.79 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.233 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 34.8 mmm -66.81 -40.29 88.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.523 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -84.01 114.0 21.4 Favored 'General case' 0 N--CA 1.464 0.257 0 O-C-N 123.857 0.723 . . . . 0.0 110.935 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.4 mt -74.56 155.36 37.98 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 25.1 p -134.24 153.13 52.04 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 124.38 1.05 . . . . 0.0 110.34 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -62.94 -41.76 99.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.181 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.6 p -136.01 155.87 49.59 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 124.221 0.951 . . . . 0.0 109.926 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -84.87 18.23 2.52 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.277 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 91.9 mtm180 -125.65 141.28 52.1 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 124.23 0.956 . . . . 0.0 109.618 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -69.95 147.02 50.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.316 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -60.64 -44.59 96.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.445 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -154.51 125.57 7.24 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.708 0.63 . . . . 0.0 109.9 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -90.23 92.46 8.94 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.881 0.738 . . . . 0.0 110.122 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 82.9 m -66.52 -54.84 19.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.936 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -81.18 145.82 30.81 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.662 0.601 . . . . 0.0 109.984 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.9 p -164.04 157.81 18.76 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.71 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -150.65 147.92 27.98 Favored 'General case' 0 C--N 1.344 0.357 0 O-C-N 123.851 0.719 . . . . 0.0 110.353 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -66.34 -32.93 74.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.978 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -65.36 -47.52 76.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.265 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.5 t -46.9 154.82 0.3 Allowed 'General case' 0 C--N 1.343 0.292 0 O-C-N 123.879 0.737 . . . . 0.0 112.71 -179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.5 p -74.16 -6.38 47.41 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.096 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t0 68.22 47.04 1.04 Allowed 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.445 178.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 pp -163.69 -40.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.063 177.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.1 t -92.46 118.31 30.83 Favored 'General case' 0 C--N 1.341 0.215 0 O-C-N 124.217 0.948 . . . . 0.0 109.699 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -69.03 -37.43 78.6 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -177.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -72.79 -27.59 62.08 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.5 m -62.53 -20.69 64.9 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 120.9 0.381 . . . . 0.0 111.008 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -59.89 -43.59 94.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.644 -177.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -90.65 -49.81 6.27 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.787 0.679 . . . . 0.0 112.253 -178.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -133.67 115.5 14.69 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 124.461 1.101 . . . . 0.0 110.24 -178.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -57.19 134.25 55.74 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.678 0.612 . . . . 0.0 111.338 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.3 13.04 17.76 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 125.078 1.486 . . . . 0.0 110.607 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.2 mt -56.1 -1.86 0.05 Allowed 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 -177.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.63 -43.46 96.76 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.45 -0.781 . . . . 0.0 110.626 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -59.44 -74.89 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.875 -178.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -57.16 128.8 38.82 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.887 0.375 . . . . 0.0 111.287 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 75.2 m80 . . . . . 0 C--N 1.332 -0.185 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.166 -179.545 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.0 mtm . . . . . 0 N--CA 1.492 1.648 0 N-CA-C 109.059 -0.719 . . . . 0.0 109.059 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 76.19 12.15 84.36 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.74 -44.99 44.41 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-O 118.654 -0.689 . . . . 0.0 112.267 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_exo -61.41 148.16 93.65 Favored 'Trans proline' 0 N--CA 1.499 1.839 0 CA-C-N 121.163 1.451 . . . . 0.0 111.874 179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -145.55 157.16 52.5 Favored Pre-proline 0 CA--C 1.552 1.051 0 CA-C-O 117.831 -1.08 . . . . 0.0 109.36 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -52.62 -40.01 74.21 Favored 'Trans proline' 0 N--CA 1.506 2.244 0 CA-C-N 121.475 1.563 . . . . 0.0 112.727 178.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -67.03 156.25 88.21 Favored Pre-proline 0 CA--C 1.548 0.866 0 CA-C-O 118.853 -0.594 . . . . 0.0 109.708 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -72.66 -177.95 3.12 Favored 'Trans proline' 0 N--CA 1.498 1.739 0 C-N-CA 121.494 1.463 . . . . 0.0 111.132 179.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -75.98 164.87 57.53 Favored Pre-proline 0 CA--C 1.55 0.973 0 CA-C-O 118.632 -0.699 . . . . 0.0 110.901 -178.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -57.28 -29.73 84.97 Favored 'Trans proline' 0 N--CA 1.503 2.085 0 C-N-CA 121.566 1.51 . . . . 0.0 112.189 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 75.3 mt -65.95 -44.22 85.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.588 -178.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 29.08 68.45 0.62 Allowed Pre-proline 0 N--CA 1.491 1.599 0 O-C-N 125.305 1.628 . . . . 0.0 112.704 -178.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo -56.94 142.3 93.54 Favored 'Trans proline' 0 N--CA 1.501 1.923 0 C-N-CA 121.351 1.367 . . . . 0.0 112.673 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.2 mtm-85 -64.94 -38.33 90.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.743 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -70.79 163.54 53.57 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -168.38 152.29 20.15 Favored Glycine 0 N--CA 1.459 0.227 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -67.04 -45.37 77.64 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 107.055 -1.461 . . . . 0.0 107.055 178.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -53.95 -33.45 56.88 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 124.288 0.993 . . . . 0.0 113.522 -179.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.3 mt -116.49 108.93 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.0 t -67.3 118.7 11.03 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 107.588 -1.264 . . . . 0.0 107.588 177.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.07 -8.36 52.85 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.848 -177.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.2 mt -95.38 -74.64 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 O-C-N 124.46 1.1 . . . . 0.0 111.522 -177.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 21.6 p -97.3 -17.67 19.64 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 113.42 0.896 . . . . 0.0 113.42 -176.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.09 21.96 72.43 Favored Glycine 0 CA--C 1.525 0.719 0 CA-C-O 118.053 -1.415 . . . . 0.0 113.499 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -162.8 12.37 0.07 Allowed 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 120.308 2.054 . . . . 0.0 113.389 178.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -100.09 0.5 40.85 Favored 'General case' 0 N--CA 1.505 2.305 0 CA-C-N 118.791 0.723 . . . . 0.0 110.595 175.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.51 -73.09 0.05 Allowed 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.565 -179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -58.61 -49.66 76.69 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.224 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -78.75 -156.29 0.1 Allowed 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.203 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -105.89 161.19 14.67 Favored 'General case' 0 N--CA 1.479 1.003 0 O-C-N 124.162 0.914 . . . . 0.0 112.138 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -74.03 78.01 1.71 Allowed 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.752 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.3 m80 -111.69 -40.34 4.34 Favored 'General case' 0 CA--C 1.516 -0.349 0 O-C-N 124.821 1.326 . . . . 0.0 110.81 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 5.1 p -85.68 -13.35 48.8 Favored 'General case' 0 CA--C 1.515 -0.367 0 O-C-N 124.121 0.888 . . . . 0.0 109.335 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 45.8 m-20 -67.74 -38.9 84.14 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 120.058 -0.657 . . . . 0.0 110.23 178.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 35.1 mmm -65.33 -41.63 93.76 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.2 -179.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -79.41 142.61 35.8 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.774 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.4 mt -78.21 131.9 37.34 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.804 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 13.9 p -75.55 -18.36 59.8 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.242 179.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -60.46 -43.54 96.79 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.652 -0.703 . . . . 0.0 110.891 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 19.7 p -63.49 -34.94 78.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.804 -179.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -159.72 103.23 1.53 Allowed 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.574 0.546 . . . . 0.0 110.521 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -72.08 141.5 49.23 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-N 115.987 -0.551 . . . . 0.0 109.948 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -66.76 139.19 57.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.012 -179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -77.14 127.62 32.96 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.261 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -71.46 135.07 47.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.024 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -77.96 105.83 9.41 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.625 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 94.3 m -65.35 -40.12 93.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.544 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -67.51 142.42 56.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.952 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.9 p -160.05 160.85 33.68 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.395 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 90.7 t80 -160.21 146.75 15.76 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 69.26 -9.61 0.6 Allowed 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.258 0.623 . . . . 0.0 112.627 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.6 mttt 41.18 86.34 0.02 OUTLIER 'General case' 0 C--N 1.348 0.503 0 C-N-CA 124.057 0.943 . . . . 0.0 113.05 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -44.54 162.12 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -178.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.6 m -59.95 -40.53 89.32 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.645 -179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -116.72 -88.15 0.6 Allowed 'General case' 0 C--N 1.346 0.439 0 O-C-N 124.454 1.096 . . . . 0.0 110.338 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 pp -161.67 12.28 0.08 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-O 121.239 0.542 . . . . 0.0 110.941 -178.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.8 t -71.63 125.28 26.68 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 108.336 -0.987 . . . . 0.0 108.336 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -65.08 -48.94 71.98 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 -174.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -70.56 -22.16 62.62 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.687 0.625 . . . . 0.0 112.687 -176.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -61.69 -21.38 64.41 Favored 'General case' 0 N--CA 1.447 -0.59 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.078 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -59.42 -41.72 90.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.037 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -80.83 -56.43 4.13 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.198 -179.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -143.09 123.17 13.63 Favored 'General case' 0 C--O 1.217 -0.648 0 O-C-N 124.584 1.178 . . . . 0.0 109.018 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.5 mmtt -54.45 137.72 41.82 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 123.842 0.714 . . . . 0.0 111.948 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.6 34.74 5.06 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 124.926 1.391 . . . . 0.0 110.782 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.8 mt -66.56 1.86 1.55 Allowed 'General case' 0 CA--C 1.55 0.958 0 O-C-N 120.914 -1.117 . . . . 0.0 111.884 179.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.63 -36.41 76.12 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 121.97 -0.456 . . . . 0.0 111.917 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.8 pt -65.98 -53.41 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 120.135 -0.626 . . . . 0.0 111.27 -179.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -55.99 -45.15 79.1 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.23 0.468 . . . . 0.0 111.464 178.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 56.2 m80 -72.18 120.19 17.43 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.89 0.376 . . . . 0.0 110.434 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -65.91 -39.7 90.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.248 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -73.18 128.8 36.53 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.493 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -74.0 139.03 44.49 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.52 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -66.19 -40.8 90.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.539 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.48 18.13 79.27 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -70.2 150.58 48.91 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 31.0 t -67.23 144.95 55.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.723 0.297 . . . . 0.0 110.411 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 47.7 mtt -63.84 -39.21 93.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.3 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 74.72 -166.98 54.89 Favored Glycine 0 CA--C 1.522 0.528 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 47.9 mtp -64.27 -40.24 95.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.741 0.305 . . . . 0.0 110.39 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 83.7 p -71.64 159.55 34.21 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.525 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 73.47 21.62 79.36 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.2 p -160.5 161.95 32.93 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 120.724 0.297 . . . . 0.0 110.489 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 72.5 21.24 79.59 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.1 p -77.04 166.74 22.9 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.869 0.366 . . . . 0.0 110.345 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.67 -36.26 93.1 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.186 -0.766 . . . . 0.0 111.186 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 89.1 t80 . . . . . 0 C--O 1.219 -0.517 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.236 -179.716 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.1 mtp . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.21 -40.89 97.02 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.0 73.61 1.73 Allowed Pre-proline 0 CA--C 1.537 0.475 0 CA-C-O 119.266 -0.397 . . . . 0.0 110.082 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -59.17 143.85 99.61 Favored 'Trans proline' 0 N--CA 1.496 1.655 0 C-N-CA 121.485 1.456 . . . . 0.0 110.882 179.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.2 t -131.27 55.5 19.19 Favored Pre-proline 0 CA--C 1.555 1.163 0 O-C-N 124.539 1.149 . . . . 0.0 110.715 -178.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.57 -176.67 0.96 Allowed 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 121.185 1.257 . . . . 0.0 111.137 179.071 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -158.73 76.16 3.39 Favored Pre-proline 0 CA--C 1.555 1.155 0 O-C-N 123.663 0.602 . . . . 0.0 110.232 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -82.6 -178.74 4.12 Favored 'Trans proline' 0 N--CA 1.495 1.595 0 C-N-CA 122.204 1.936 . . . . 0.0 112.025 -179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -150.33 73.84 9.07 Favored Pre-proline 0 CA--C 1.548 0.886 0 O-C-N 124.027 0.829 . . . . 0.0 110.062 -179.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_exo -57.87 -29.17 85.32 Favored 'Trans proline' 0 N--CA 1.503 2.058 0 C-N-CA 122.036 1.824 . . . . 0.0 111.648 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.24 -39.49 94.77 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.889 -1.05 . . . . 0.0 110.881 -178.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 50.16 68.76 3.13 Favored Pre-proline 0 CA--C 1.545 0.778 0 O-C-N 124.336 1.022 . . . . 0.0 110.758 -178.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -54.9 -37.06 93.22 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 121.784 1.656 . . . . 0.0 112.371 -179.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 75.1 mtm-85 -64.79 -39.64 93.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.518 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.14 150.69 51.31 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -178.33 171.79 44.18 Favored Glycine 0 C--O 1.23 -0.131 0 N-CA-C 110.618 -0.993 . . . . 0.0 110.618 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -71.9 -49.75 35.19 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -51.69 -29.41 18.11 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 -177.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.5 mt -112.19 119.79 60.98 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.561 0 O-C-N 124.674 1.234 . . . . 0.0 109.726 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 32.7 t -76.33 149.78 36.98 Favored 'General case' 0 C--N 1.319 -0.755 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 177.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.68 -12.82 60.01 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 111.631 0.234 . . . . 0.0 111.631 -178.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.0 mt -114.34 -74.96 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 O-C-N 124.745 1.278 . . . . 0.0 111.146 -177.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -67.75 -15.76 63.79 Favored 'General case' 0 CA--C 1.509 -0.63 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.031 -176.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.79 -18.16 36.48 Favored Glycine 0 CA--C 1.529 0.936 0 CA-C-O 118.13 -1.372 . . . . 0.0 113.317 179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -166.4 21.4 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 CA-C-N 119.596 1.698 . . . . 0.0 113.717 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -89.69 -5.04 57.43 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.169 -0.957 . . . . 0.0 111.135 178.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.0 64.98 5.01 Favored 'General case' 0 N--CA 1.445 -0.714 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 178.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -162.09 -60.63 0.05 OUTLIER 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.872 -179.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.18 -84.21 0.39 Allowed 'General case' 0 N--CA 1.471 0.579 0 O-C-N 124.522 1.138 . . . . 0.0 111.954 -177.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -110.93 164.0 13.24 Favored 'General case' 0 CA--C 1.509 -0.614 0 O-C-N 124.4 1.063 . . . . 0.0 109.516 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -129.38 45.56 2.78 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 124.967 1.417 . . . . 0.0 109.447 -178.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -87.06 -35.23 18.84 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.871 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 23.2 p -79.8 -6.22 56.9 Favored 'General case' 0 C--O 1.224 -0.255 0 O-C-N 123.387 0.429 . . . . 0.0 110.637 -179.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.64 -34.35 77.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.078 0.466 . . . . 0.0 110.173 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 47.3 mtp -65.13 -42.58 93.74 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.153 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.4 m-20 -86.36 140.67 29.81 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 123.744 0.652 . . . . 0.0 110.546 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.3 mt -90.91 17.49 7.78 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 123.684 0.615 . . . . 0.0 109.746 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.0 p -81.76 157.27 24.58 Favored 'General case' 0 C--O 1.233 0.22 0 O-C-N 123.801 0.688 . . . . 0.0 109.89 179.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -82.49 136.22 34.94 Favored 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.872 0.732 . . . . 0.0 110.816 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.0 m -63.15 -49.39 74.54 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.734 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -84.78 109.22 17.91 Favored 'General case' 0 C--N 1.344 0.333 0 O-C-N 123.976 0.797 . . . . 0.0 109.984 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -64.1 -45.16 89.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.067 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -67.95 132.24 46.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.356 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -62.25 -47.36 84.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.963 -179.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -76.88 134.17 39.07 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.862 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 -81.58 86.66 6.34 Favored 'General case' 0 N--CA 1.464 0.258 0 O-C-N 123.734 0.646 . . . . 0.0 110.951 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.6 t -75.95 109.46 9.6 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.956 179.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -80.29 116.47 20.39 Favored 'General case' 0 N--CA 1.464 0.26 0 O-C-N 123.652 0.595 . . . . 0.0 109.862 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.3 t -76.67 -79.57 0.11 Allowed 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.934 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 43.3 m-85 -79.27 140.92 37.47 Favored 'General case' 0 C--N 1.342 0.252 0 CA-C-O 121.01 0.433 . . . . 0.0 110.519 179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -72.7 -17.29 61.64 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.431 -179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -64.79 -42.87 94.73 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.933 -0.307 . . . . 0.0 111.21 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -49.07 141.52 7.89 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 124.212 0.945 . . . . 0.0 110.869 -179.384 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.2 t -161.46 20.35 0.12 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.673 -178.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -143.7 21.39 1.82 Allowed 'General case' 0 N--CA 1.474 0.765 0 O-C-N 123.972 0.795 . . . . 0.0 110.715 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 56.23 13.63 1.29 Allowed 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.432 0.693 . . . . 0.0 111.336 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 8.7 t -90.51 118.15 29.75 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.492 -1.231 . . . . 0.0 108.789 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -67.81 -37.53 82.09 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-N 114.801 -1.09 . . . . 0.0 113.151 -176.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -76.09 -24.15 55.02 Favored 'General case' 0 CA--C 1.514 -0.44 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -177.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -62.18 -23.33 66.55 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.621 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -56.22 -39.45 72.53 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.266 -178.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -90.67 -53.67 4.32 Favored 'General case' 0 CA--C 1.516 -0.357 0 O-C-N 124.038 0.836 . . . . 0.0 111.223 -179.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -137.47 114.8 10.99 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 124.441 1.088 . . . . 0.0 110.48 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.0 mmtt -53.95 140.24 31.65 Favored 'General case' 0 C--O 1.236 0.379 0 O-C-N 124.557 1.161 . . . . 0.0 111.151 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -130.28 38.84 3.72 Favored 'General case' 0 CA--C 1.542 0.64 0 O-C-N 124.986 1.428 . . . . 0.0 110.347 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.2 mt -73.51 3.11 6.55 Favored 'General case' 0 N--CA 1.476 0.848 0 O-C-N 121.553 -0.717 . . . . 0.0 110.458 179.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.49 -48.04 61.95 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.654 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.5 pt -63.0 -42.41 96.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.298 0 C-N-CA 120.584 -0.446 . . . . 0.0 111.372 -178.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -58.79 -45.18 90.46 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -161.95 128.19 3.67 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.25 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -71.86 133.79 45.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.865 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 99.8 m-70 -72.65 131.44 42.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.764 -179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -72.82 136.12 45.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.276 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -70.94 139.47 50.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.51 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 72.85 22.37 79.13 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.27 -42.17 99.35 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.1 m -61.07 -42.31 98.26 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.941 0.401 . . . . 0.0 110.581 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 42.7 mtp -65.24 -38.17 89.53 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.473 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -61.74 -42.06 99.7 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 50.4 mtt -64.72 -41.14 96.19 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.806 0.336 . . . . 0.0 110.365 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 36.2 t -63.2 -41.67 99.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.379 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.02 167.79 45.53 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 78.0 p -63.89 -36.51 84.18 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.127 -0.229 . . . . 0.0 110.586 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 75.13 178.92 42.83 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.33 -0.708 . . . . 0.0 111.33 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 23.4 p -66.38 -33.72 76.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.706 0.288 . . . . 0.0 110.672 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.71 177.67 43.67 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.971 -0.851 . . . . 0.0 110.971 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 117.964 -1.017 . . . . 0.0 110.56 179.999 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.8 mmm . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 73.0 20.96 80.19 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.313 -1.115 . . . . 0.0 110.313 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.85 116.14 11.43 Favored Pre-proline 0 CA--C 1.558 1.255 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.742 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -57.01 145.08 87.6 Favored 'Trans proline' 0 N--CA 1.508 2.367 0 CA-C-N 122.349 1.875 . . . . 0.0 112.687 179.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.414 ' O ' HG13 ' A' ' 5' ' ' VAL . 7.2 p -160.59 70.3 2.83 Favored Pre-proline 0 CA--C 1.557 1.248 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.967 -179.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -57.47 -43.16 53.97 Favored 'Trans proline' 0 N--CA 1.497 1.7 0 C-N-CA 120.893 1.062 . . . . 0.0 112.408 179.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -72.74 151.53 91.18 Favored Pre-proline 0 CA--C 1.55 0.949 0 CA-C-O 118.822 -0.609 . . . . 0.0 110.41 -179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -70.18 -31.11 19.24 Favored 'Trans proline' 0 N--CA 1.499 1.802 0 CA-C-N 121.302 1.501 . . . . 0.0 113.366 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -152.96 73.39 7.09 Favored Pre-proline 0 CA--C 1.551 0.989 0 O-C-N 124.172 0.92 . . . . 0.0 110.883 -178.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -73.57 -13.91 24.83 Favored 'Trans proline' 0 N--CA 1.496 1.65 0 C-N-CA 121.298 1.332 . . . . 0.0 111.917 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.2 mt -62.55 -41.9 99.19 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.965 -178.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 49.87 66.23 5.88 Favored Pre-proline 0 CA--C 1.55 0.943 0 O-C-N 124.109 0.881 . . . . 0.0 110.897 -179.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -73.36 153.74 50.65 Favored 'Trans proline' 0 N--CA 1.49 1.317 0 C-N-CA 121.237 1.291 . . . . 0.0 111.412 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -127.66 140.97 51.75 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 124.497 1.123 . . . . 0.0 109.83 -179.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.82 -171.51 53.57 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.651 -0.979 . . . . 0.0 110.651 -179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.27 18.83 79.88 Favored Glycine 0 C--N 1.332 0.306 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -63.86 -52.54 59.56 Favored 'General case' 0 C--O 1.212 -0.903 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -48.48 -24.58 1.33 Allowed 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -178.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 40.1 mm -108.18 114.15 45.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 O-C-N 123.972 0.795 . . . . 0.0 110.183 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 25.8 t -73.96 150.67 40.63 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 178.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.53 -15.38 59.89 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 121.5 -0.08 . . . . 0.0 111.194 -178.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.5 mt -114.74 -78.04 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.884 0 O-C-N 124.71 1.256 . . . . 0.0 110.636 -178.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.9 m -63.34 -12.57 30.98 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -176.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.17 -18.65 9.5 Favored Glycine 0 C--O 1.217 -0.945 0 CA-C-O 117.861 -1.522 . . . . 0.0 113.34 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -165.88 18.54 0.04 OUTLIER 'General case' 0 N--CA 1.488 1.458 0 N-CA-C 115.084 1.513 . . . . 0.0 115.084 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -94.19 6.89 47.19 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 118.567 0.621 . . . . 0.0 111.65 177.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.54 63.71 5.95 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 121.79 0.805 . . . . 0.0 109.147 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -173.78 -9.12 0.01 OUTLIER 'General case' 0 C--O 1.237 0.415 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.218 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -149.6 -129.84 0.05 Allowed 'General case' 0 CA--C 1.549 0.912 0 O-C-N 123.042 0.214 . . . . 0.0 111.536 -178.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 98.5 m-85 -65.29 134.48 53.7 Favored 'General case' 0 C--O 1.235 0.315 0 O-C-N 122.239 -0.288 . . . . 0.0 110.385 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -104.41 40.51 1.46 Allowed 'General case' 0 C--N 1.345 0.374 0 O-C-N 124.488 1.118 . . . . 0.0 109.702 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -83.08 -31.45 27.3 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.881 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.9 p -77.84 -13.04 60.01 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.6 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -64.94 -42.63 94.48 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.413 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 49.3 mtm -71.45 -43.81 65.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -82.47 174.09 11.4 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.568 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 74.8 mt -109.39 125.18 52.12 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 124.288 0.993 . . . . 0.0 108.782 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.1 p -80.35 163.67 23.72 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.757 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -82.05 138.59 34.81 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.643 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 82.0 m -63.48 -46.31 86.75 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.322 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -82.39 88.54 6.57 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.697 0.623 . . . . 0.0 110.451 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.8 mtm-85 -78.86 133.41 36.99 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.706 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -84.07 108.8 17.22 Favored 'General case' 0 N--CA 1.464 0.236 0 O-C-N 123.813 0.696 . . . . 0.0 110.335 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -88.67 127.82 35.59 Favored 'General case' 0 N--CA 1.465 0.311 0 O-C-N 123.88 0.738 . . . . 0.0 110.099 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -73.89 134.14 43.21 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.144 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.2 m-80 -64.49 -40.97 96.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.904 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 1.7 t -72.49 112.71 8.79 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.469 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -131.9 113.34 13.34 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 124.403 1.064 . . . . 0.0 109.643 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.4 t -62.97 -44.25 96.56 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.98 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -146.82 134.92 21.56 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 124.186 0.929 . . . . 0.0 109.843 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 55.1 m80 -82.91 19.44 1.37 Allowed 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.565 0.541 . . . . 0.0 111.132 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.2 mmtt -62.13 -48.15 81.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.581 -0.282 . . . . 0.0 110.842 -179.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -157.43 15.08 0.25 Allowed 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.231 0.539 . . . . 0.0 109.973 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -60.13 -47.28 86.58 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.067 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -67.18 -53.74 27.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.783 0.325 . . . . 0.0 111.461 -178.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 82.7 mt -60.87 -68.42 0.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.515 -178.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 22.8 t -91.02 113.53 25.81 Favored 'General case' 0 C--N 1.339 0.146 0 O-C-N 123.969 0.793 . . . . 0.0 109.262 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -70.4 -34.87 73.05 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.849 -178.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -72.67 -27.88 62.37 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.069 0.396 . . . . 0.0 112.069 -177.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.77 -24.63 65.91 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.712 -0.222 . . . . 0.0 110.828 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -54.74 -45.27 74.11 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.084 -177.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -80.19 -51.25 9.18 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.53 0.519 . . . . 0.0 111.446 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -139.52 113.56 8.8 Favored 'General case' 0 C--O 1.219 -0.55 0 O-C-N 124.376 1.047 . . . . 0.0 109.169 -179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.3 mmtt -53.14 138.66 30.85 Favored 'General case' 0 N--CA 1.47 0.529 0 O-C-N 124.266 0.979 . . . . 0.0 111.379 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.54 16.93 11.26 Favored 'General case' 0 C--O 1.216 -0.684 0 O-C-N 124.924 1.39 . . . . 0.0 110.088 179.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.6 mt -59.4 -1.3 0.21 Allowed 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.05 -45.13 94.92 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 121.939 -0.476 . . . . 0.0 110.835 179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -58.63 -70.87 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.331 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -73.18 123.52 23.81 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 117.972 0.351 . . . . 0.0 110.453 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -72.19 140.83 48.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.189 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -72.9 138.99 46.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.787 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 47.1 m-70 -152.69 147.96 26.72 Favored 'General case' 0 N--CA 1.465 0.294 0 O-C-N 123.824 0.702 . . . . 0.0 110.793 -179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -70.17 141.0 52.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.448 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -65.28 -40.21 93.58 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.519 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.05 -37.17 94.22 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 73.12 19.75 79.72 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.856 -0.897 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.0 m -71.35 147.96 47.5 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 110.359 -0.238 . . . . 0.0 110.359 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 18.4 ttp -62.58 -42.72 99.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.25 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 170.0 128.64 1.03 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.746 -0.941 . . . . 0.0 110.746 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 8.4 ttp -65.1 -42.23 94.19 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.4 m -61.32 -43.07 99.49 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.734 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 71.63 16.64 76.05 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 78.2 p -62.37 -36.4 82.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.792 0.33 . . . . 0.0 110.686 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 177.24 -174.32 46.92 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.6 t -155.33 161.66 41.02 Favored 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.814 0.361 . . . . 0.0 110.717 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.68 19.12 77.77 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.076 -0.81 . . . . 0.0 111.076 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 59.4 t80 . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.211 -179.95 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.8 mtm . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.72 -43.44 94.21 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.725 -0.95 . . . . 0.0 110.725 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -165.56 72.62 1.34 Allowed Pre-proline 0 CA--C 1.545 0.767 0 CA-C-O 119.325 -0.369 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -60.25 145.4 98.63 Favored 'Trans proline' 0 N--CA 1.499 1.829 0 C-N-CA 121.168 1.246 . . . . 0.0 110.944 178.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.96 157.44 69.39 Favored Pre-proline 0 CA--C 1.552 1.022 0 CA-C-O 117.941 -1.028 . . . . 0.0 109.797 -178.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -50.82 -41.71 54.03 Favored 'Trans proline' 0 N--CA 1.51 2.451 0 C-N-CA 121.64 1.56 . . . . 0.0 113.218 178.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -154.0 148.73 19.67 Favored Pre-proline 0 CA--C 1.552 1.033 0 CA-C-O 118.356 -0.83 . . . . 0.0 109.135 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -76.88 7.17 3.71 Favored 'Trans proline' 0 N--CA 1.504 2.104 0 CA-C-N 121.499 1.571 . . . . 0.0 112.965 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 49.54 71.61 1.52 Allowed Pre-proline 0 CA--C 1.547 0.837 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.408 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -57.14 -29.13 82.21 Favored 'Trans proline' 0 N--CA 1.503 2.042 0 C-N-CA 122.085 1.857 . . . . 0.0 112.086 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.11 -41.18 99.3 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.337 -0.847 . . . . 0.0 110.563 -179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -155.11 74.37 5.53 Favored Pre-proline 0 CA--C 1.559 1.297 0 O-C-N 123.918 0.761 . . . . 0.0 111.229 -178.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -55.82 -35.42 93.7 Favored 'Trans proline' 0 N--CA 1.504 2.143 0 C-N-CA 122.109 1.873 . . . . 0.0 112.945 179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.7 ttt85 -60.72 -43.56 97.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.943 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.05 -101.59 1.14 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.296 -1.122 . . . . 0.0 110.296 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.08 21.96 79.41 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -59.23 138.1 57.72 Favored 'General case' 0 CA--C 1.508 -0.669 0 CA-C-O 121.694 0.759 . . . . 0.0 109.494 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.5 t-160 -59.44 -53.28 59.98 Favored 'General case' 0 C--N 1.301 -1.513 0 CA-C-N 114.233 -1.349 . . . . 0.0 112.788 -176.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.0 mp -99.17 120.58 48.69 Favored 'Isoleucine or valine' 0 C--N 1.346 0.445 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 -179.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 7.2 t -70.32 144.54 51.66 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 178.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.68 -8.28 53.15 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -176.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.8 mt -118.64 -74.76 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 O-C-N 124.5 1.125 . . . . 0.0 111.23 -177.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -71.05 -28.33 64.29 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.713 -0.676 . . . . 0.0 112.452 -176.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.72 -23.4 16.82 Favored Glycine 0 CA--C 1.525 0.689 0 O-C-N 124.113 0.883 . . . . 0.0 111.621 -179.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -146.5 16.55 1.3 Allowed 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 115.074 1.509 . . . . 0.0 115.074 -177.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.548 HD21 ' H ' ' A' ' 33' ' ' THR . 2.4 m-20 -77.66 -40.76 40.6 Favored 'General case' 0 N--CA 1.48 1.041 0 CA-C-N 118.924 0.784 . . . . 0.0 110.099 177.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.13 -34.73 32.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 124.655 1.222 . . . . 0.0 109.354 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -75.14 -54.43 7.15 Favored 'General case' 0 N--CA 1.437 -1.121 0 CA-C-N 114.923 -1.035 . . . . 0.0 109.459 177.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -95.35 -134.3 0.2 Allowed 'General case' 0 N--CA 1.483 1.22 0 O-C-N 124.043 0.839 . . . . 0.0 111.856 -178.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -73.28 173.15 9.91 Favored 'General case' 0 C--N 1.35 0.599 0 CA-C-N 117.994 0.361 . . . . 0.0 110.65 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -128.14 46.88 2.5 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 124.284 0.99 . . . . 0.0 109.826 -179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 65.1 m80 -102.64 -28.71 11.97 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.914 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.548 ' H ' HD21 ' A' ' 26' ' ' ASN . 3.1 p -83.29 -6.37 59.45 Favored 'General case' 0 N--CA 1.471 0.575 0 O-C-N 123.575 0.547 . . . . 0.0 109.883 -179.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -61.44 -37.88 85.15 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.904 178.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 35.3 mtm -65.96 -41.67 90.94 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.837 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -156.18 137.78 14.14 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 123.51 0.506 . . . . 0.0 110.551 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.6 mt -74.22 126.44 30.62 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 32.2 m -83.57 121.85 27.79 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.752 0.658 . . . . 0.0 109.708 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -79.45 131.86 36.2 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.337 179.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 14.8 t -156.74 148.28 22.46 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.652 0.595 . . . . 0.0 110.466 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 58.7 m-20 -81.0 85.07 6.33 Favored 'General case' 0 N--CA 1.462 0.168 0 O-C-N 123.759 0.662 . . . . 0.0 110.368 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -73.23 132.35 43.07 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.746 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.5 p-10 -67.77 135.11 52.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.486 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -61.72 -48.01 82.7 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.658 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -68.34 127.31 32.49 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.55 HD21 HH12 ' A' ' 61' ' ' ARG . 10.8 t-20 -78.96 129.3 34.33 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.53 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 96.9 m -65.49 -42.72 91.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.125 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -138.92 149.95 45.37 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 124.215 0.947 . . . . 0.0 109.712 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.7 p -159.94 156.63 27.51 Favored 'General case' 0 N--CA 1.463 0.176 0 O-C-N 123.438 0.462 . . . . 0.0 110.614 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -149.36 150.28 32.21 Favored 'General case' 0 N--CA 1.464 0.237 0 O-C-N 124.09 0.869 . . . . 0.0 109.431 179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 93.2 m-70 -92.16 -11.71 34.82 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 124.014 0.821 . . . . 0.0 110.952 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 36.9 mmtt -63.77 -40.36 96.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.797 -178.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 10.4 t -96.21 146.9 24.3 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 123.767 0.667 . . . . 0.0 110.977 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.5 m -57.95 -1.31 0.11 Allowed 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 75.08 -11.94 1.01 Allowed 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 124.544 1.138 . . . . 0.0 111.85 179.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.0 mt -63.22 -53.14 57.74 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 -179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.7 t -93.61 126.78 38.96 Favored 'General case' 0 N--CA 1.466 0.328 0 O-C-N 124.2 0.937 . . . . 0.0 108.821 178.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.9 mt-30 -73.34 -40.62 64.3 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -176.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -74.1 -24.97 59.54 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -177.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.4 m -64.18 -20.71 66.2 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.939 -0.304 . . . . 0.0 111.287 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.55 HH12 HD21 ' A' ' 46' ' ' ASN . 99.6 mtt180 -57.58 -36.23 71.42 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.236 -177.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -90.38 -53.9 4.24 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 123.932 0.77 . . . . 0.0 111.935 -179.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -140.67 115.87 9.91 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 124.293 0.996 . . . . 0.0 109.662 -178.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.6 mmtt -50.08 144.5 6.85 Favored 'General case' 0 N--CA 1.476 0.83 0 O-C-N 124.184 0.928 . . . . 0.0 112.562 -178.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -125.76 26.69 6.6 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.795 1.309 . . . . 0.0 110.99 179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.4 mt -63.95 2.69 0.48 Allowed 'General case' 0 CA--C 1.554 1.098 0 O-C-N 120.965 -1.085 . . . . 0.0 112.416 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -73.23 -39.9 65.1 Favored 'General case' 0 N--CA 1.454 -0.271 0 O-C-N 122.063 -0.398 . . . . 0.0 111.993 179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.9 pt -62.13 -63.22 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.74 0 C-N-CA 120.098 -0.641 . . . . 0.0 111.237 -178.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -64.84 128.69 36.84 Favored 'General case' 0 C--O 1.231 0.088 0 CA-C-N 118.809 0.731 . . . . 0.0 110.316 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -72.22 136.53 46.4 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.215 179.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.9 mm-40 -64.8 135.13 55.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.258 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -65.56 -41.01 93.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.726 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -70.36 135.04 48.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.438 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -66.1 -40.29 90.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.491 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.56 19.7 79.73 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -66.65 155.84 51.6 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.8 p -71.4 160.07 33.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.83 0.348 . . . . 0.0 110.572 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 43.5 mtp -63.96 -40.44 96.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.371 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -170.15 172.02 43.73 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.931 -0.868 . . . . 0.0 110.931 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 50.6 mtt -64.43 -39.88 94.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.757 0.313 . . . . 0.0 110.256 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.8 t -61.37 -43.97 97.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.737 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 72.43 22.69 78.81 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 35.3 t -162.12 156.52 22.06 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.819 0.342 . . . . 0.0 110.565 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -67.56 158.14 51.42 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.2 p -75.73 165.01 25.68 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.636 0.255 . . . . 0.0 110.491 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 72.69 -169.57 52.14 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 117.913 -1.041 . . . . 0.0 110.538 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.2 mtp . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -64.84 -35.31 91.75 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.43 172.36 1.32 Allowed Pre-proline 0 CA--C 1.543 0.695 0 CA-C-O 119.219 -0.42 . . . . 0.0 110.906 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -62.56 151.23 84.44 Favored 'Trans proline' 0 N--CA 1.498 1.741 0 CA-C-N 120.479 1.207 . . . . 0.0 111.413 178.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 51.7 t -140.04 70.52 35.1 Favored Pre-proline 0 CA--C 1.557 1.214 0 O-C-N 123.91 0.756 . . . . 0.0 110.198 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -56.2 -39.95 87.92 Favored 'Trans proline' 0 N--CA 1.503 2.075 0 C-N-CA 121.934 1.756 . . . . 0.0 112.446 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -75.46 161.87 74.88 Favored Pre-proline 0 CA--C 1.546 0.809 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.93 -179.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -74.9 -178.98 4.52 Favored 'Trans proline' 0 N--CA 1.501 1.944 0 C-N-CA 121.585 1.523 . . . . 0.0 112.165 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -160.74 74.23 2.74 Favored Pre-proline 0 CA--C 1.553 1.077 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.094 -179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -64.61 -22.28 64.86 Favored 'Trans proline' 0 N--CA 1.5 1.867 0 C-N-CA 121.435 1.423 . . . . 0.0 111.94 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 79.6 mt -60.35 -41.85 94.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.075 -178.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 49.15 69.51 2.65 Favored Pre-proline 0 CA--C 1.546 0.813 0 O-C-N 124.147 0.904 . . . . 0.0 110.795 -179.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo -57.45 142.25 95.17 Favored 'Trans proline' 0 N--CA 1.499 1.798 0 C-N-CA 121.391 1.394 . . . . 0.0 111.959 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.4 ttm-85 -62.79 -44.61 95.72 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.77 -174.71 45.52 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -169.11 151.54 17.92 Favored Glycine 0 CA--C 1.517 0.165 0 N-CA-C 110.568 -1.013 . . . . 0.0 110.568 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -72.74 -48.14 41.03 Favored 'General case' 0 C--O 1.208 -1.118 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 178.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -54.62 -35.07 63.02 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -178.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.8 mm -110.14 117.38 54.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 O-C-N 124.333 1.02 . . . . 0.0 109.594 -179.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 39.0 t -69.42 139.45 54.06 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.478 -0.783 . . . . 0.0 109.883 178.17 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.17 -11.18 60.02 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.914 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.8 mt -109.54 -72.3 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 O-C-N 124.416 1.072 . . . . 0.0 110.65 -178.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 5.4 m -66.22 -16.98 64.45 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.88 -177.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 74.88 -8.84 13.24 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-O 118.375 -1.236 . . . . 0.0 112.841 179.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -155.25 15.15 0.39 Allowed 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 114.027 1.121 . . . . 0.0 114.027 -179.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -97.39 -130.8 0.19 Allowed 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 118.412 0.551 . . . . 0.0 109.709 176.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 48.26 59.54 4.22 Favored 'General case' 0 C--N 1.35 0.588 0 C-N-CA 123.506 0.722 . . . . 0.0 111.409 177.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -159.11 -30.8 0.07 Allowed 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.055 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -145.45 -95.9 0.1 Allowed 'General case' 0 N--CA 1.479 1.006 0 O-C-N 123.554 0.534 . . . . 0.0 111.99 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -90.61 131.39 36.35 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 122.746 0.418 . . . . 0.0 110.654 -178.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -93.83 47.65 1.23 Allowed 'General case' 0 N--CA 1.469 0.484 0 O-C-N 123.995 0.81 . . . . 0.0 109.964 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -83.42 -31.72 26.49 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.56 -0.746 . . . . 0.0 111.234 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.6 p -78.15 -13.45 59.86 Favored 'General case' 0 C--N 1.333 -0.122 0 O-C-N 123.446 0.466 . . . . 0.0 110.427 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -71.93 -6.58 42.95 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.053 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 48.7 mtp -122.91 152.44 40.8 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 124.538 1.149 . . . . 0.0 110.031 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -76.76 98.93 4.94 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.244 -179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 69.4 mt -76.85 145.92 38.06 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.799 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 69.0 m -63.64 -46.5 85.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.243 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -83.33 83.0 8.03 Favored 'General case' 0 N--CA 1.465 0.321 0 O-C-N 123.726 0.642 . . . . 0.0 110.769 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.4 p -68.97 -36.97 78.49 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.695 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -80.28 112.85 18.0 Favored 'General case' 0 C--O 1.235 0.333 0 O-C-N 123.631 0.582 . . . . 0.0 110.156 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.7 mtp85 -128.34 104.3 7.64 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 124.545 1.153 . . . . 0.0 109.741 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 38.1 t70 -76.46 114.2 14.9 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.789 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -84.75 141.68 30.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.551 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -64.83 -43.34 93.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.465 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.3 m-20 53.98 33.98 18.64 Favored 'General case' 0 N--CA 1.467 0.423 0 O-C-N 123.968 0.793 . . . . 0.0 110.742 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.3 m -63.56 -47.66 80.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.224 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -136.6 138.56 41.32 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 124.211 0.944 . . . . 0.0 109.315 179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.0 t -164.73 152.92 12.12 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 115.967 -0.56 . . . . 0.0 109.897 -179.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -147.65 151.78 36.76 Favored 'General case' 0 N--CA 1.467 0.407 0 O-C-N 124.099 0.875 . . . . 0.0 109.185 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -110.47 10.88 23.2 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 123.952 0.782 . . . . 0.0 110.168 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -61.93 -43.41 98.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.925 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 6.8 m -78.4 -147.01 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.316 0 O-C-N 123.376 0.423 . . . . 0.0 110.222 179.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 36.9 m -86.15 83.51 7.72 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.33 0.652 . . . . 0.0 109.958 179.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -44.73 -31.84 1.32 Allowed 'General case' 0 N--CA 1.478 0.938 0 O-C-N 124.428 1.08 . . . . 0.0 111.714 -179.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.8 mt -61.17 -47.41 86.29 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.559 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.1 t -91.15 116.12 28.56 Favored 'General case' 0 CA--C 1.53 0.208 0 O-C-N 123.882 0.739 . . . . 0.0 109.086 179.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -66.02 -36.36 83.07 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 114.158 1.17 . . . . 0.0 114.158 -176.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.68 -26.21 54.53 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.423 0.527 . . . . 0.0 112.423 -177.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -62.09 -22.53 65.86 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.981 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -57.45 -35.84 70.63 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.967 -178.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -89.04 -54.62 4.04 Favored 'General case' 0 N--CA 1.465 0.283 0 O-C-N 123.929 0.768 . . . . 0.0 111.361 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -142.69 118.06 10.25 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 124.222 0.951 . . . . 0.0 109.888 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.8 mmtt -51.57 135.59 27.95 Favored 'General case' 0 N--CA 1.466 0.349 0 O-C-N 123.858 0.724 . . . . 0.0 112.202 179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.43 30.86 6.88 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 124.892 1.37 . . . . 0.0 110.114 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.1 mt -67.63 1.5 2.39 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.635 -0.666 . . . . 0.0 111.935 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -61.96 -52.04 65.62 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 110.237 -0.283 . . . . 0.0 110.237 179.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.3 pt -58.06 -55.97 18.76 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 120.261 -0.575 . . . . 0.0 111.56 -177.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -56.65 -40.56 75.67 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 118.105 0.411 . . . . 0.0 111.123 179.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 84.5 m-70 -149.83 108.17 3.78 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.893 0.745 . . . . 0.0 110.748 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -65.36 -39.72 92.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.266 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -72.34 142.76 48.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.481 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -71.18 144.87 50.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.676 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -65.66 -40.69 92.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.656 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -173.24 178.72 45.07 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -170.51 -163.78 25.13 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.7 t -60.96 -43.18 99.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.867 0.365 . . . . 0.0 110.687 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 49.2 mtp -64.63 -40.27 95.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.085 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 74.23 -178.72 43.74 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 44.5 mtp -64.05 -40.68 96.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.633 0.254 . . . . 0.0 110.423 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.7 m -71.1 147.37 48.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.59 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -67.05 175.06 24.82 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.726 -0.95 . . . . 0.0 110.726 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.9 p -159.88 161.46 34.38 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 110.695 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.06 21.36 78.36 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.5 p -76.86 165.48 24.64 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.816 0.341 . . . . 0.0 110.555 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.74 20.01 78.38 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 87.7 t80 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.419 -179.801 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.6 mtm . . . . . 0 N--CA 1.492 1.631 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 70.46 23.43 77.55 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.856 -0.897 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -71.14 174.45 3.71 Favored Pre-proline 0 CA--C 1.542 0.664 0 CA-C-O 118.77 -0.633 . . . . 0.0 110.014 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -59.76 142.56 98.91 Favored 'Trans proline' 0 N--CA 1.503 2.052 0 CA-C-N 120.752 1.304 . . . . 0.0 112.06 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.5 t -129.1 53.5 11.69 Favored Pre-proline 0 CA--C 1.558 1.251 0 O-C-N 124.341 1.025 . . . . 0.0 110.55 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.7 -16.82 54.96 Favored 'Trans proline' 0 N--CA 1.495 1.578 0 CA-C-N 120.018 1.042 . . . . 0.0 111.877 178.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -69.92 174.56 3.06 Favored Pre-proline 0 CA--C 1.544 0.733 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_exo -62.45 -161.86 0.04 OUTLIER 'Trans proline' 0 N--CA 1.504 2.096 0 CA-C-N 121.523 1.58 . . . . 0.0 113.438 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -146.7 75.64 12.03 Favored Pre-proline 0 CA--C 1.543 0.691 0 CA-C-N 114.948 -1.024 . . . . 0.0 110.302 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -59.47 -28.42 87.45 Favored 'Trans proline' 0 N--CA 1.501 1.937 0 C-N-CA 121.694 1.596 . . . . 0.0 111.458 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.96 -41.23 97.76 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.77 -179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 49.82 68.96 2.96 Favored Pre-proline 0 CA--C 1.551 1.014 0 O-C-N 124.084 0.865 . . . . 0.0 111.514 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -53.7 -36.42 81.67 Favored 'Trans proline' 0 N--CA 1.506 2.21 0 C-N-CA 122.036 1.824 . . . . 0.0 113.301 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -62.29 -40.53 96.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.237 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.69 -121.89 26.35 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.689 -0.965 . . . . 0.0 110.689 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 72.12 19.35 78.47 Favored Glycine 0 C--O 1.226 -0.381 0 N-CA-C 110.526 -1.03 . . . . 0.0 110.526 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.32 -51.28 58.92 Favored 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -53.95 -24.16 15.5 Favored 'General case' 0 N--CA 1.469 0.507 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -177.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.4 mt -113.55 113.16 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 O-C-N 124.266 0.979 . . . . 0.0 109.025 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.6 t -71.99 149.46 44.97 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 178.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.89 -11.38 59.81 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -178.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.3 mt -116.14 -78.68 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 124.776 1.297 . . . . 0.0 109.819 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 2.0 m -63.19 -14.82 53.43 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 -176.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 87.23 -25.4 7.96 Favored Glycine 0 CA--C 1.525 0.682 0 CA-C-O 118.486 -1.175 . . . . 0.0 113.12 179.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.6 p30 -166.54 17.66 0.03 OUTLIER 'General case' 0 CA--C 1.559 1.298 0 CA-C-N 119.187 1.494 . . . . 0.0 114.048 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -96.55 14.37 24.95 Favored 'General case' 0 N--CA 1.5 2.052 0 CA-C-O 121.485 0.66 . . . . 0.0 110.881 178.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.96 -61.39 2.61 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.337 -1.301 . . . . 0.0 108.013 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -2.08 -71.98 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 O-C-N 126.295 2.247 . . . . 0.0 114.235 179.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -156.1 -45.67 0.08 Allowed 'General case' 0 N--CA 1.475 0.807 0 O-C-N 123.867 0.729 . . . . 0.0 111.214 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -74.03 78.29 1.7 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.695 -179.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -84.35 41.05 0.81 Allowed 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 121.388 0.613 . . . . 0.0 109.828 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 78.2 m80 -83.69 -33.83 25.08 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.495 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 9.4 p -79.62 -9.04 59.57 Favored 'General case' 0 N--CA 1.465 0.277 0 O-C-N 123.659 0.599 . . . . 0.0 110.807 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -65.87 -18.04 65.07 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.398 -0.521 . . . . 0.0 110.665 179.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 34.3 mmm -81.01 138.92 36.03 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.721 0.638 . . . . 0.0 110.027 179.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -79.69 93.32 5.52 Favored 'General case' 0 N--CA 1.463 0.217 0 O-C-N 123.579 0.549 . . . . 0.0 111.219 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 9.3 mt -117.04 118.26 31.9 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 124.371 1.044 . . . . 0.0 109.468 179.258 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.5 p -73.52 -26.2 60.77 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.441 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -60.99 -44.66 97.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.151 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 23.7 p -74.4 80.34 1.89 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.538 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -73.78 142.05 46.23 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.285 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.7 mtp85 -71.5 142.31 50.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.04 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -69.06 132.11 46.1 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.057 0.456 . . . . 0.0 110.007 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 94.9 m-85 -64.71 -44.35 90.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.011 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -63.72 -43.95 95.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.617 -179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.0 t30 54.58 39.21 31.02 Favored 'General case' 0 N--CA 1.468 0.464 0 O-C-N 123.902 0.751 . . . . 0.0 111.2 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 5.9 t -74.08 131.47 41.36 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.81 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -67.51 140.75 57.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.409 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 38.4 t -62.48 -42.55 99.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.401 ' H ' ' NH1' ' A' ' 61' ' ' ARG . 0.3 OUTLIER -157.59 173.47 16.81 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 123.494 0.496 . . . . 0.0 110.013 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -131.26 32.24 4.27 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 124.11 0.881 . . . . 0.0 111.26 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -63.72 -48.6 76.41 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.857 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -169.59 164.25 10.26 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.114 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 57.1 m 35.59 70.09 0.16 Allowed 'General case' 0 C--N 1.355 0.834 0 O-C-N 124.934 1.396 . . . . 0.0 112.258 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.5 m-20 -56.24 -26.46 51.45 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.878 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 81.5 mt -62.66 -47.87 81.8 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.273 -0.639 . . . . 0.0 109.273 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 24.4 t -94.12 111.77 23.52 Favored 'General case' 0 C--N 1.348 0.512 0 O-C-N 124.283 0.99 . . . . 0.0 109.787 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.0 mt-30 -68.46 -36.11 78.54 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.753 -177.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.94 -26.2 60.37 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -177.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -61.18 -26.65 67.86 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 121.332 0.586 . . . . 0.0 110.054 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.401 ' NH1' ' H ' ' A' ' 50' ' ' TYR . 98.8 mtt180 -60.61 -38.27 84.17 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.262 -0.881 . . . . 0.0 110.836 -177.726 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 -88.74 -52.85 4.91 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.856 0.723 . . . . 0.0 111.539 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -137.11 116.15 12.42 Favored 'General case' 0 N--CA 1.473 0.711 0 O-C-N 124.394 1.059 . . . . 0.0 109.639 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.3 mmtt -54.38 133.96 45.46 Favored 'General case' 0 N--CA 1.475 0.791 0 O-C-N 123.808 0.692 . . . . 0.0 111.526 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -123.51 18.1 9.66 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 125.054 1.471 . . . . 0.0 111.078 179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.5 mt -60.49 2.16 0.11 Allowed 'General case' 0 CA--C 1.554 1.132 0 O-C-N 121.045 -1.034 . . . . 0.0 113.086 -178.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.28 -42.18 79.93 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 121.611 -0.681 . . . . 0.0 111.185 179.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 pt -59.71 -69.39 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 C-N-CA 120.203 -0.599 . . . . 0.0 111.365 -178.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -76.09 127.97 34.04 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 118.022 0.374 . . . . 0.0 110.755 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -71.63 134.28 46.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.665 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -70.0 135.05 48.95 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 109.725 -0.472 . . . . 0.0 109.725 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -70.2 131.93 44.99 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.598 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 74.2 m80 -66.41 -40.29 89.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.594 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 39.7 m-70 -152.94 147.37 25.87 Favored 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.914 0.759 . . . . 0.0 110.299 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.11 159.49 49.66 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.63 150.78 51.04 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 66.1 m -61.22 -39.85 91.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.814 0.34 . . . . 0.0 110.777 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 46.4 mtp -63.58 -40.51 97.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.158 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -67.66 149.18 50.38 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.779 -0.928 . . . . 0.0 110.779 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 39.0 mtt -64.92 -39.95 94.31 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.744 0.307 . . . . 0.0 110.381 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.7 m -69.47 147.44 50.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.49 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 170.8 -26.78 0.1 Allowed Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.099 -0.801 . . . . 0.0 111.099 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.1 m -68.54 142.72 55.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.813 0.34 . . . . 0.0 110.544 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -65.09 -35.62 91.99 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 17.4 p -72.56 -19.06 61.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.75 0.309 . . . . 0.0 110.567 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -61.39 -40.5 98.73 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.735 179.879 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.2 mtp . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.43 19.1 79.66 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 50.75 71.33 1.58 Allowed Pre-proline 0 CA--C 1.545 0.763 0 C-N-CA 122.888 0.475 . . . . 0.0 112.204 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_exo -58.48 144.04 97.27 Favored 'Trans proline' 0 N--CA 1.5 1.873 0 C-N-CA 121.33 1.353 . . . . 0.0 111.784 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.2 m -134.15 76.06 64.35 Favored Pre-proline 0 CA--C 1.559 1.301 0 O-C-N 124.388 1.055 . . . . 0.0 110.075 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -56.79 -35.7 98.16 Favored 'Trans proline' 0 N--CA 1.502 1.98 0 C-N-CA 121.577 1.518 . . . . 0.0 111.531 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 66.3 t80 52.36 71.25 1.52 Allowed Pre-proline 0 CA--C 1.548 0.883 0 O-C-N 124.304 1.003 . . . . 0.0 111.29 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -82.63 4.07 7.35 Favored 'Trans proline' 0 N--CA 1.495 1.615 0 C-N-CA 122.104 1.869 . . . . 0.0 112.218 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 22.2 t70 51.21 70.72 1.82 Allowed Pre-proline 0 CA--C 1.552 1.038 0 CA-C-N 115.032 -0.985 . . . . 0.0 111.492 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_exo -57.83 -25.11 67.52 Favored 'Trans proline' 0 N--CA 1.503 2.066 0 C-N-CA 121.842 1.695 . . . . 0.0 112.28 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.4 mt -60.26 -42.38 95.25 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.222 -178.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 49.01 63.15 10.92 Favored Pre-proline 0 CA--C 1.547 0.836 0 O-C-N 123.848 0.718 . . . . 0.0 111.453 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -72.47 153.35 55.25 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 121.306 1.337 . . . . 0.0 112.358 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -70.25 140.78 52.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.899 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.02 160.49 50.47 Favored Glycine 0 CA--C 1.525 0.679 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.29 156.73 50.2 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.327 -1.109 . . . . 0.0 110.327 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -72.46 -47.47 48.61 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 178.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.4 t-160 -62.37 -51.23 68.4 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.001 -0.679 . . . . 0.0 112.284 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.3 mp -105.05 124.1 59.56 Favored 'Isoleucine or valine' 0 C--N 1.353 0.75 0 O-C-N 123.59 0.556 . . . . 0.0 110.758 -177.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.1 t -81.69 144.1 31.4 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 108.02 -1.104 . . . . 0.0 108.02 177.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.11 -11.23 56.64 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -176.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.2 mt -116.74 -70.8 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 O-C-N 124.563 1.164 . . . . 0.0 111.801 -177.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -79.0 -27.73 43.32 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.881 0.697 . . . . 0.0 112.881 -176.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.98 -9.18 57.88 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-O 119.011 -0.883 . . . . 0.0 112.196 -178.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -148.03 16.22 1.07 Allowed 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 115.069 1.507 . . . . 0.0 115.069 -177.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.46 -38.76 21.41 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 118.935 0.788 . . . . 0.0 109.914 177.316 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.89 -33.91 67.35 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.307 -177.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -81.21 -40.61 23.58 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.43 -0.805 . . . . 0.0 110.216 177.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -108.02 -136.85 0.36 Allowed 'General case' 0 N--CA 1.486 1.345 0 O-C-N 124.362 1.039 . . . . 0.0 113.082 -177.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -68.25 -168.46 0.11 Allowed 'General case' 0 N--CA 1.474 0.748 0 O-C-N 122.171 -0.33 . . . . 0.0 111.539 -178.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -138.15 25.86 2.7 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 123.613 0.571 . . . . 0.0 110.902 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -96.48 -14.43 22.35 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 124.292 0.995 . . . . 0.0 111.284 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.9 p -79.32 -17.47 54.51 Favored 'General case' 0 N--CA 1.463 0.204 0 O-C-N 123.541 0.525 . . . . 0.0 110.804 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -67.76 -18.25 64.81 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.2 mmm -65.32 -41.94 93.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.694 -179.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -85.87 113.96 22.42 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 123.934 0.771 . . . . 0.0 111.072 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 52.6 mt -72.54 148.48 44.95 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 179.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.0 p -139.58 162.84 34.11 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 124.415 1.072 . . . . 0.0 110.308 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -75.11 167.42 21.96 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.513 179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 4.5 m -61.7 -45.62 93.2 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -79.98 103.0 9.56 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.525 0.516 . . . . 0.0 110.513 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.0 mtt85 -74.47 136.61 42.27 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.746 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -79.13 110.02 13.99 Favored 'General case' 0 N--CA 1.464 0.234 0 O-C-N 123.554 0.534 . . . . 0.0 110.591 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -80.24 137.74 36.69 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.446 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -70.6 133.12 46.42 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -63.6 -42.26 98.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.257 -179.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 38.1 t -74.57 86.56 2.1 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.459 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -78.15 124.03 27.58 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.817 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.8 t -67.37 -46.68 72.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.525 -179.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -153.11 155.31 36.53 Favored 'General case' 0 N--CA 1.468 0.454 0 O-C-N 123.986 0.804 . . . . 0.0 110.313 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -109.37 5.58 23.63 Favored 'General case' 0 N--CA 1.473 0.699 0 O-C-N 124.631 1.207 . . . . 0.0 110.155 179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.78 -31.81 72.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.887 -178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 61.7 m -102.59 168.09 9.5 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 124.068 0.855 . . . . 0.0 111.637 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 84.9 p -59.1 -13.26 6.45 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.596 -0.729 . . . . 0.0 112.13 -178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.8 t70 74.17 -8.15 1.5 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.225 1.01 . . . . 0.0 111.922 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.17 -48.93 76.29 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.4 t -93.43 127.57 39.11 Favored 'General case' 0 C--N 1.341 0.23 0 O-C-N 124.484 1.115 . . . . 0.0 108.653 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -72.74 -39.28 67.01 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 -177.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.87 -25.75 59.19 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.223 0.453 . . . . 0.0 112.223 -177.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.4 m -61.92 -26.18 68.02 Favored 'General case' 0 N--CA 1.449 -0.475 0 C-N-CA 120.932 -0.307 . . . . 0.0 110.817 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -54.67 -35.02 63.12 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.804 0.69 . . . . 0.0 111.176 -178.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -91.52 -54.24 3.98 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 123.992 0.807 . . . . 0.0 111.317 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -144.38 118.11 9.25 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 124.086 0.866 . . . . 0.0 110.123 -179.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.9 mmtt -49.2 143.75 5.78 Favored 'General case' 0 N--CA 1.476 0.832 0 O-C-N 124.139 0.9 . . . . 0.0 112.809 -179.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -126.46 24.65 6.67 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 124.789 1.305 . . . . 0.0 110.567 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.7 mt -67.61 6.43 0.64 Allowed 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 112.538 0.569 . . . . 0.0 112.538 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.81 -40.48 95.29 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.602 -0.686 . . . . 0.0 110.446 179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.4 pt -71.2 -66.46 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.767 0 O-C-N 123.548 0.53 . . . . 0.0 111.402 -179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -72.43 125.41 27.34 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 118.726 0.694 . . . . 0.0 110.452 177.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -73.51 137.06 44.21 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.552 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -68.75 141.73 55.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.166 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -69.04 133.53 48.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.63 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -72.85 135.86 45.23 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.473 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 75.3 m80 -71.37 139.34 49.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.619 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.43 -35.71 92.42 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.71 -171.64 49.78 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 16.0 m -69.44 145.76 52.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 0.0 110.619 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 44.0 mtp -64.08 -40.95 97.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.145 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.6 0.67 63.79 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 34.5 mmm -65.02 -40.21 94.55 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.0 m -61.07 -41.84 97.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.675 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -62.94 -39.11 97.65 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.7 m -70.8 147.58 48.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.765 0.316 . . . . 0.0 110.509 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.18 -39.38 97.86 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 93.3 m -63.63 134.09 54.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.665 0.269 . . . . 0.0 110.44 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -168.69 171.25 42.71 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.935 -1.031 . . . . 0.0 109.979 -179.825 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 42.4 mtm . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 109.118 -0.697 . . . . 0.0 109.118 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.24 -177.79 38.87 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.07 -44.81 61.76 Favored Pre-proline 0 CA--C 1.544 0.723 0 CA-C-O 118.653 -0.689 . . . . 0.0 112.252 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo -61.87 151.55 80.37 Favored 'Trans proline' 0 N--CA 1.501 1.925 0 CA-C-N 121.092 1.426 . . . . 0.0 111.974 179.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 61.9 t -139.51 71.74 37.74 Favored Pre-proline 0 CA--C 1.556 1.199 0 O-C-N 124.164 0.915 . . . . 0.0 110.201 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -56.54 -38.47 95.36 Favored 'Trans proline' 0 N--CA 1.502 1.982 0 C-N-CA 121.709 1.606 . . . . 0.0 112.157 179.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -70.7 163.06 67.37 Favored Pre-proline 0 CA--C 1.545 0.761 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.389 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_endo -76.71 -176.98 3.43 Favored 'Trans proline' 0 N--CA 1.5 1.86 0 C-N-CA 121.561 1.508 . . . . 0.0 111.114 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -136.93 170.61 10.36 Favored Pre-proline 0 CA--C 1.544 0.733 0 O-C-N 124.291 0.994 . . . . 0.0 109.755 -179.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -56.88 -37.82 97.31 Favored 'Trans proline' 0 N--CA 1.502 1.998 0 C-N-CA 121.343 1.362 . . . . 0.0 112.277 178.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.2 mt -69.67 -38.66 77.15 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.568 -178.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 33.55 67.77 1.11 Allowed Pre-proline 0 N--CA 1.492 1.631 0 O-C-N 125.051 1.469 . . . . 0.0 113.131 -178.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -53.55 -38.03 83.36 Favored 'Trans proline' 0 N--CA 1.506 2.234 0 C-N-CA 121.951 1.767 . . . . 0.0 113.143 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -62.87 -44.27 96.56 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 70.99 -174.11 40.97 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.297 -1.121 . . . . 0.0 110.297 -179.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.63 114.81 0.33 Allowed Glycine 0 CA--C 1.515 0.072 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -65.6 -49.06 70.13 Favored 'General case' 0 C--O 1.211 -0.936 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -52.67 -27.01 15.5 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 114.391 1.256 . . . . 0.0 114.391 -177.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.9 mt -114.6 118.22 57.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 O-C-N 124.359 1.037 . . . . 0.0 109.768 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.8 t -74.45 148.14 41.36 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.245 -0.889 . . . . 0.0 108.984 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.36 -10.51 59.46 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 112.099 0.407 . . . . 0.0 112.099 -178.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.3 mm -117.37 -72.88 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 O-C-N 124.714 1.259 . . . . 0.0 112.12 -177.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -70.82 -21.82 62.41 Favored 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 111.799 0.296 . . . . 0.0 111.799 -176.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 92.47 -15.61 61.94 Favored Glycine 0 CA--C 1.529 0.964 0 CA-C-O 118.466 -1.186 . . . . 0.0 113.547 179.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.7 p-10 -163.83 24.88 0.08 Allowed 'General case' 0 N--CA 1.485 1.286 0 CA-C-N 119.407 1.604 . . . . 0.0 113.963 -179.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -91.5 -13.26 32.48 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 118.506 0.594 . . . . 0.0 111.503 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -78.68 64.12 3.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.204 -179.274 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -157.12 -32.63 0.08 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 114.237 -1.347 . . . . 0.0 110.341 -178.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -159.25 -83.01 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.566 0 O-C-N 123.182 0.301 . . . . 0.0 111.354 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -74.46 139.11 43.7 Favored 'General case' 0 CA--C 1.517 -0.307 0 N-CA-C 109.654 -0.499 . . . . 0.0 109.654 179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -130.13 34.79 4.18 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 124.668 1.23 . . . . 0.0 108.188 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -82.78 -32.51 27.69 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.964 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.1 p -79.63 -6.53 57.29 Favored 'General case' 0 N--CA 1.466 0.348 0 O-C-N 123.421 0.451 . . . . 0.0 111.022 -178.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -66.5 -18.36 65.32 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 121.068 -0.253 . . . . 0.0 110.624 179.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 57.4 mtp -80.64 133.76 35.78 Favored 'General case' 0 N--CA 1.466 0.352 0 O-C-N 123.682 0.614 . . . . 0.0 109.842 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -79.86 96.12 6.25 Favored 'General case' 0 C--O 1.234 0.247 0 O-C-N 123.58 0.55 . . . . 0.0 110.605 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.4 mt -126.23 101.17 6.63 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 124.45 1.094 . . . . 0.0 109.889 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.4 p -69.99 -32.95 71.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.272 179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -60.69 -44.69 96.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.218 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 31.7 m -61.22 127.77 33.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.212 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -81.17 169.03 17.89 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.463 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 83.1 mtp180 -64.41 99.95 0.33 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.238 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -87.3 16.94 4.74 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 123.737 0.648 . . . . 0.0 110.635 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -80.44 141.43 35.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.009 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -127.98 146.02 50.79 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 124.51 1.131 . . . . 0.0 109.856 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 80.0 m-20 -73.49 102.17 3.74 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.658 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -77.13 135.55 38.57 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.136 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 -69.76 130.0 41.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.229 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 10.6 p -78.95 164.09 24.69 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.191 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 22.0 t80 -159.87 -58.09 0.06 Allowed 'General case' 0 N--CA 1.471 0.58 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -92.54 -6.65 49.23 Favored 'General case' 0 N--CA 1.473 0.676 0 O-C-N 123.766 0.666 . . . . 0.0 111.175 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.3 mttt 49.58 93.02 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.463 0 O-C-N 124.024 0.828 . . . . 0.0 111.657 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.9 p -60.68 -170.07 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.391 0.615 . . . . 0.0 112.41 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.7 m -159.14 17.15 0.18 Allowed 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.744 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -132.18 13.77 4.67 Favored 'General case' 0 N--CA 1.475 0.819 0 O-C-N 124.074 0.859 . . . . 0.0 111.256 -179.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 61.86 10.49 3.54 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.251 1.02 . . . . 0.0 111.528 178.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.3 t -85.28 117.91 24.5 Favored 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 114.488 -1.233 . . . . 0.0 108.65 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -67.29 -33.69 75.82 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -176.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -79.55 -24.14 42.33 Favored 'General case' 0 N--CA 1.466 0.375 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -177.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -61.69 -22.62 65.49 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.848 0.356 . . . . 0.0 110.686 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.2 -37.41 77.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.841 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -86.88 -54.48 4.33 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 123.796 0.685 . . . . 0.0 111.193 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -141.1 117.02 10.45 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 124.212 0.945 . . . . 0.0 109.71 -179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -52.98 138.97 29.04 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 123.982 0.802 . . . . 0.0 111.729 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -124.62 33.58 5.2 Favored 'General case' 0 N--CA 1.475 0.824 0 O-C-N 124.88 1.363 . . . . 0.0 110.411 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.2 mt -70.17 1.71 4.46 Favored 'General case' 0 CA--C 1.541 0.632 0 O-C-N 121.73 -0.606 . . . . 0.0 111.537 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.66 -49.3 69.13 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 121.892 -0.505 . . . . 0.0 110.795 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.0 pt -61.8 -47.39 93.49 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.358 0 C-N-CA 120.328 -0.549 . . . . 0.0 112.137 -178.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 8.1 t-80 -63.55 129.68 41.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 118.178 0.444 . . . . 0.0 109.946 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -160.74 134.09 6.67 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.104 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 46.6 mm-40 -67.78 133.85 49.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.261 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -61.03 -41.3 96.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.632 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -71.69 133.56 45.72 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.411 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -66.08 -41.01 91.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.647 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.57 -166.15 53.16 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -65.74 156.38 49.25 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 86.3 p -72.42 162.03 30.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.774 0.321 . . . . 0.0 110.618 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 53.8 mtt -64.05 -40.71 96.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.177 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 73.91 19.58 79.75 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.116 -0.794 . . . . 0.0 111.116 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 18.2 ttp -62.63 -40.94 98.57 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 110.137 -0.319 . . . . 0.0 110.137 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 38.0 p -160.42 161.38 32.98 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.526 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -64.99 -35.04 91.43 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.2 p -158.64 166.66 31.54 Favored 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.636 0.257 . . . . 0.0 110.528 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 77.69 25.83 62.02 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.4 m -63.79 134.59 55.55 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -69.05 149.26 48.94 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.787 -0.925 . . . . 0.0 110.787 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 71.6 t80 . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.397 -179.778 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.8 mtp . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.84 21.63 79.62 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -162.64 70.7 2.1 Favored Pre-proline 0 CA--C 1.542 0.643 0 CA-C-O 119.489 -0.291 . . . . 0.0 111.189 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -62.48 150.58 86.96 Favored 'Trans proline' 0 N--CA 1.498 1.761 0 C-N-CA 121.056 1.17 . . . . 0.0 111.482 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.9 t -140.72 72.65 29.39 Favored Pre-proline 0 CA--C 1.553 1.078 0 O-C-N 124.064 0.852 . . . . 0.0 109.758 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -55.33 -38.46 93.79 Favored 'Trans proline' 0 N--CA 1.503 2.062 0 C-N-CA 121.738 1.625 . . . . 0.0 112.23 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -61.15 151.4 75.72 Favored Pre-proline 0 CA--C 1.548 0.874 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.664 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -71.65 -175.48 1.62 Allowed 'Trans proline' 0 N--CA 1.499 1.817 0 CA-C-N 121.318 1.507 . . . . 0.0 111.228 179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -148.51 72.86 10.78 Favored Pre-proline 0 CA--C 1.544 0.74 0 O-C-N 123.762 0.664 . . . . 0.0 110.559 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -55.79 -36.01 94.52 Favored 'Trans proline' 0 N--CA 1.502 2.029 0 C-N-CA 121.778 1.652 . . . . 0.0 112.133 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 73.8 mt -66.43 -41.18 89.59 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.431 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -138.47 75.81 37.91 Favored Pre-proline 0 CA--C 1.552 1.029 0 O-C-N 124.335 1.022 . . . . 0.0 110.969 -178.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -60.37 146.09 97.34 Favored 'Trans proline' 0 N--CA 1.5 1.864 0 C-N-CA 121.262 1.308 . . . . 0.0 112.183 179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 82.0 mtp180 -71.05 142.46 50.87 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.415 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.42 -169.14 16.13 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.37 23.45 75.59 Favored Glycine 0 N--CA 1.461 0.348 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.04 -54.77 29.01 Favored 'General case' 0 C--O 1.215 -0.762 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -51.6 -25.64 7.31 Favored 'General case' 0 N--CA 1.472 0.635 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 -177.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 29.6 mm -104.66 113.53 41.9 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 O-C-N 124.195 0.934 . . . . 0.0 109.704 179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 44.5 t -75.93 150.88 37.44 Favored 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 178.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.84 -13.52 59.76 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 111.326 0.121 . . . . 0.0 111.326 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.0 mt -114.48 -78.95 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 O-C-N 124.778 1.299 . . . . 0.0 110.255 -178.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.66 -11.77 39.07 Favored 'General case' 0 CA--C 1.518 -0.276 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -176.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.99 -21.27 6.96 Favored Glycine 0 CA--C 1.529 0.955 0 CA-C-O 118.525 -1.153 . . . . 0.0 112.83 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -165.66 20.48 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 -178.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -94.59 4.02 54.37 Favored 'General case' 0 N--CA 1.5 2.067 0 CA-C-N 118.881 0.764 . . . . 0.0 111.403 176.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.09 64.41 2.53 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.987 0.899 . . . . 0.0 109.031 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -176.8 -29.39 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.425 179.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -86.25 -147.79 0.13 Allowed 'General case' 0 N--CA 1.473 0.688 0 O-C-N 123.735 0.647 . . . . 0.0 111.846 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -78.73 -1.19 33.41 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -178.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.8 mttt 53.69 47.85 22.86 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 123.525 0.516 . . . . 0.0 111.055 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -88.75 -34.59 17.08 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.276 -0.875 . . . . 0.0 112.582 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 45.1 p -79.31 -9.73 59.65 Favored 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.428 0.455 . . . . 0.0 110.498 -178.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -62.97 -27.84 69.67 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.464 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.8 mtm -81.05 149.57 29.19 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 123.853 0.72 . . . . 0.0 109.87 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -79.3 109.08 13.31 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.703 0.627 . . . . 0.0 111.367 -179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.9 mt -78.2 147.2 34.57 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.624 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.3 m -62.81 -45.24 93.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.283 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -151.51 158.58 43.79 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 123.894 0.746 . . . . 0.0 109.891 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 29.3 p -139.93 160.78 39.14 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 124.33 1.019 . . . . 0.0 109.842 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -79.76 117.58 20.78 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.662 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.9 mtm-85 -64.23 -39.24 93.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.064 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -76.29 109.75 10.24 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.612 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -80.22 137.19 36.62 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.409 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -74.89 143.07 43.98 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.191 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -76.12 79.09 2.94 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.745 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 81.0 m -81.54 146.67 30.04 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.72 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -71.38 162.94 28.63 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.412 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.6 t -163.81 103.94 0.91 Allowed 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.202 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 26.7 m-85 -83.23 -6.53 59.51 Favored 'General case' 0 C--O 1.233 0.216 0 O-C-N 123.731 0.644 . . . . 0.0 110.766 -179.57 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 51.07 48.84 22.35 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 123.925 0.766 . . . . 0.0 110.796 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.21 -47.74 83.11 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.008 -178.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 25.0 t -160.22 155.32 24.75 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 78.8 p 36.92 66.63 0.4 Allowed 'General case' 0 C--N 1.348 0.503 0 O-C-N 125.29 1.619 . . . . 0.0 111.639 179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -51.93 -25.81 8.97 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 114.821 -1.082 . . . . 0.0 111.418 -177.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.2 mt -63.79 -40.83 97.6 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 178.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 12.9 t -86.6 111.36 20.55 Favored 'General case' 0 C--N 1.348 0.513 0 N-CA-C 108.507 -0.924 . . . . 0.0 108.507 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -68.58 -32.58 72.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.879 -0.6 . . . . 0.0 112.355 -177.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -74.42 -28.28 61.0 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -177.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.37 -28.49 68.24 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.351 0.596 . . . . 0.0 110.147 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.72 -37.81 85.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.68 -0.691 . . . . 0.0 111.055 -178.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -91.05 -53.78 4.23 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 123.662 0.601 . . . . 0.0 112.023 -179.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -131.29 114.86 15.54 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 124.591 1.182 . . . . 0.0 109.695 -179.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -58.17 130.14 45.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.14 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -115.51 11.12 15.84 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 125.233 1.583 . . . . 0.0 111.186 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.4 mt -53.34 -3.2 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 114.608 1.336 . . . . 0.0 114.608 -177.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.46 -46.24 89.41 Favored 'General case' 0 N--CA 1.453 -0.285 0 O-C-N 121.569 -0.707 . . . . 0.0 110.586 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 pt -60.39 -86.32 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.295 -179.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -70.79 125.38 26.68 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.647 0.26 . . . . 0.0 110.641 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 80.9 m80 -74.25 141.54 45.36 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.61 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -153.98 144.11 22.06 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 123.597 0.561 . . . . 0.0 109.53 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 32.3 m80 -153.5 146.62 24.62 Favored 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.879 0.737 . . . . 0.0 110.345 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -72.8 137.73 45.98 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.609 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -66.44 -41.91 88.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.776 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.55 -135.52 0.2 Allowed Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 72.44 -168.93 52.32 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 44.5 t -67.03 143.13 56.92 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 38.1 mmm 50.88 72.28 0.37 Allowed 'General case' 0 N--CA 1.476 0.831 0 O-C-N 123.955 0.784 . . . . 0.0 110.827 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.96 154.92 52.71 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 18.3 ttp -63.32 -40.11 96.42 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 20.8 m -66.53 147.79 52.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.518 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -169.07 176.1 43.28 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 52.3 m -60.74 -41.52 95.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.829 0.347 . . . . 0.0 110.982 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.06 -41.61 99.69 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.6 p -78.59 165.23 23.92 Favored 'General case' 0 N--CA 1.463 0.225 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -72.01 166.22 53.57 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 117.945 -1.026 . . . . 0.0 110.411 179.891 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.3 mtp . . . . . 0 N--CA 1.492 1.649 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -64.06 -41.37 98.55 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -74.31 171.04 12.26 Favored Pre-proline 0 CA--C 1.546 0.8 0 CA-C-O 118.935 -0.555 . . . . 0.0 110.457 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -60.44 145.89 97.83 Favored 'Trans proline' 0 N--CA 1.499 1.851 0 CA-C-N 120.612 1.254 . . . . 0.0 111.854 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.411 ' H ' HG22 ' A' ' 5' ' ' VAL . 0.6 OUTLIER -80.65 151.01 70.89 Favored Pre-proline 0 CA--C 1.555 1.135 0 CA-C-O 118.85 -0.595 . . . . 0.0 111.0 -179.534 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -63.33 -26.01 71.43 Favored 'Trans proline' 0 N--CA 1.5 1.865 0 CA-C-N 121.244 1.48 . . . . 0.0 112.697 179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.2 t80 51.4 71.27 1.57 Allowed Pre-proline 0 CA--C 1.549 0.923 0 O-C-N 123.844 0.715 . . . . 0.0 111.056 179.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_endo -74.14 179.1 6.1 Favored 'Trans proline' 0 N--CA 1.491 1.339 0 CA-C-N 120.397 1.178 . . . . 0.0 112.552 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.449 ' H ' ' CD ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -166.97 -44.89 0.0 OUTLIER Pre-proline 0 CA--C 1.544 0.721 0 CA-C-N 114.679 -1.146 . . . . 0.0 111.558 -179.193 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.449 ' CD ' ' H ' ' A' ' 9' ' ' ASP . 32.9 Cg_exo -59.23 -34.18 98.17 Favored 'Trans proline' 0 N--CA 1.5 1.881 0 CA-C-N 121.209 1.468 . . . . 0.0 112.259 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.4 mt -68.33 -42.18 79.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.485 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -140.46 72.59 31.07 Favored Pre-proline 0 CA--C 1.554 1.112 0 O-C-N 124.278 0.986 . . . . 0.0 110.631 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -56.95 -34.51 97.48 Favored 'Trans proline' 0 N--CA 1.504 2.095 0 C-N-CA 121.794 1.663 . . . . 0.0 111.961 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -71.02 141.29 50.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.92 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.34 -39.5 97.83 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.084 -0.807 . . . . 0.0 111.084 -179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.44 20.45 79.87 Favored Glycine 0 N--CA 1.46 0.288 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -64.93 -50.14 67.62 Favored 'General case' 0 N--CA 1.441 -0.888 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.73 -24.29 2.24 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 38.9 mm -106.91 114.54 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 O-C-N 123.937 0.773 . . . . 0.0 110.421 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 33.8 t -74.93 151.02 38.91 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.48 -15.7 59.83 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 111.295 0.109 . . . . 0.0 111.295 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.1 mt -115.11 -77.91 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 O-C-N 124.743 1.277 . . . . 0.0 110.722 -178.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.41 -11.93 26.93 Favored 'General case' 0 CA--C 1.518 -0.27 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -176.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.4 -18.37 8.57 Favored Glycine 0 CA--C 1.525 0.718 0 CA-C-O 118.135 -1.37 . . . . 0.0 113.203 179.343 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -166.19 18.24 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.535 0 CA-C-N 119.456 1.628 . . . . 0.0 115.195 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -93.62 6.13 49.29 Favored 'General case' 0 N--CA 1.498 1.946 0 CA-C-N 118.696 0.68 . . . . 0.0 111.304 177.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.16 64.11 4.88 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.688 0.756 . . . . 0.0 109.08 179.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -173.4 -11.73 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.242 178.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -147.78 -136.75 0.08 Allowed 'General case' 0 CA--C 1.546 0.818 0 O-C-N 123.373 0.421 . . . . 0.0 111.481 -178.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -59.96 131.97 52.5 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-N 117.543 0.156 . . . . 0.0 110.714 -178.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -99.48 42.86 1.08 Allowed 'General case' 0 N--CA 1.465 0.296 0 O-C-N 124.535 1.147 . . . . 0.0 109.481 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -79.57 -34.83 40.56 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.248 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.7 p -79.06 -13.46 59.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.786 -178.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -65.76 -34.34 77.96 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.366 -0.534 . . . . 0.0 110.221 -179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 36.0 mmm -75.42 145.19 41.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.272 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -68.68 140.85 55.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.627 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.7 mt -126.0 146.56 49.83 Favored 'General case' 0 N--CA 1.474 0.764 0 O-C-N 124.654 1.221 . . . . 0.0 109.272 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.3 p -79.93 2.65 22.64 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.598 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -151.85 158.35 43.13 Favored 'General case' 0 N--CA 1.469 0.475 0 O-C-N 123.915 0.759 . . . . 0.0 109.585 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 32.9 p -139.56 161.53 37.27 Favored 'General case' 0 N--CA 1.474 0.751 0 O-C-N 124.311 1.007 . . . . 0.0 110.151 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -65.94 137.86 57.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.405 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -64.17 -39.09 93.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.187 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -79.93 107.33 12.63 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.588 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -62.8 -46.22 89.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.756 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -73.88 141.57 46.06 Favored 'General case' 0 N--CA 1.462 0.163 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.31 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -74.06 150.27 40.7 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.485 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.4 t -73.09 121.85 20.87 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.382 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -77.04 97.28 4.63 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.013 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.6 p -64.47 -44.32 91.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.904 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -147.16 150.66 35.38 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 124.03 0.831 . . . . 0.0 109.527 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -79.15 45.54 0.64 Allowed 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -71.05 -109.8 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -179.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 1.8 t -152.09 -158.72 0.93 Allowed 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -178.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.8 t 38.93 48.06 1.33 Allowed 'General case' 0 C--N 1.352 0.689 0 O-C-N 124.427 1.079 . . . . 0.0 111.526 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -47.67 -29.57 3.1 Favored 'General case' 0 N--CA 1.472 0.625 0 CA-C-N 114.196 -1.365 . . . . 0.0 111.331 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.5 mt -61.63 -46.43 89.84 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.415 178.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 19.7 t -93.33 112.45 24.38 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 178.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -70.69 -36.15 73.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.183 -0.462 . . . . 0.0 112.102 -178.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -71.28 -27.55 63.51 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -177.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.2 m -59.5 -25.12 64.2 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-O 120.682 0.277 . . . . 0.0 110.886 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -55.79 -43.45 76.85 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.35 -178.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -79.36 -53.55 6.81 Favored 'General case' 0 CA--C 1.517 -0.324 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.2 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -140.4 114.91 9.39 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 124.387 1.054 . . . . 0.0 109.238 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 57.6 mmtt -53.02 137.93 31.85 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 124.219 0.949 . . . . 0.0 110.684 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -119.89 14.69 12.48 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 124.989 1.431 . . . . 0.0 110.283 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.1 mt -57.04 -3.63 0.14 Allowed 'General case' 0 N--CA 1.482 1.151 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -178.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.8 -43.28 99.22 Favored 'General case' 0 C--N 1.331 -0.226 0 O-C-N 121.816 -0.552 . . . . 0.0 111.209 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -59.92 -54.79 29.79 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.608 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.779 -178.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 56.3 t-80 -56.12 -42.37 76.78 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 118.022 0.374 . . . . 0.0 110.658 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -71.89 143.61 49.3 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.232 179.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -70.73 133.54 46.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.159 -179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -71.38 133.21 45.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.725 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -66.45 -44.21 83.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 99.5 m-70 -71.4 140.25 50.05 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.504 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 178.78 173.5 44.17 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 74.55 14.33 81.19 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 86.4 p -74.72 162.87 28.31 Favored 'General case' 0 N--CA 1.462 0.163 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 7.9 ttp -154.46 144.03 21.5 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 123.612 0.57 . . . . 0.0 109.883 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 72.04 27.49 70.25 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 34.0 mmm -63.35 -41.08 98.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.798 0.332 . . . . 0.0 110.284 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.2 p -62.24 -36.05 80.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.778 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 66.15 -132.36 33.43 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 84.8 p -67.54 156.59 36.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.806 0.336 . . . . 0.0 110.589 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -65.76 164.28 39.12 Favored Glycine 0 CA--C 1.526 0.747 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.2 m -74.62 133.37 42.17 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 74.26 10.75 81.97 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 79.3 t80 . . . . . 0 C--O 1.219 -0.524 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.296 179.75 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.7 mtp . . . . . 0 N--CA 1.492 1.674 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -66.67 -39.55 93.77 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.99 72.9 1.46 Allowed Pre-proline 0 CA--C 1.543 0.706 0 CA-C-O 119.367 -0.349 . . . . 0.0 110.569 -179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -59.88 143.95 99.53 Favored 'Trans proline' 0 N--CA 1.498 1.755 0 C-N-CA 121.29 1.327 . . . . 0.0 111.232 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.9 t 54.05 68.72 2.58 Favored Pre-proline 0 CA--C 1.556 1.21 0 O-C-N 123.632 0.583 . . . . 0.0 110.516 -179.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -54.45 -44.97 44.51 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 121.053 1.169 . . . . 0.0 112.614 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 44.8 m-85 -154.43 150.19 21.62 Favored Pre-proline 0 CA--C 1.55 0.98 0 O-C-N 124.242 0.964 . . . . 0.0 110.02 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.37 1.35 6.86 Favored 'Trans proline' 0 N--CA 1.496 1.645 0 CA-C-N 121.201 1.465 . . . . 0.0 112.577 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -149.32 73.11 10.02 Favored Pre-proline 0 CA--C 1.55 0.946 0 CA-C-N 115.481 -0.781 . . . . 0.0 110.43 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -62.47 -23.0 74.75 Favored 'Trans proline' 0 N--CA 1.501 1.963 0 C-N-CA 121.604 1.536 . . . . 0.0 112.207 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 66.8 mt -59.75 -37.42 78.94 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.783 -178.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 50.78 70.65 1.88 Allowed Pre-proline 0 CA--C 1.548 0.88 0 O-C-N 124.207 0.942 . . . . 0.0 110.812 -179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -60.1 143.74 99.53 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 121.117 1.212 . . . . 0.0 112.0 -179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.24 -37.83 88.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.2 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.45 -172.11 48.45 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.64 122.04 0.62 Allowed Glycine 0 N--CA 1.458 0.147 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 53.0 mmtt -68.76 -50.35 51.2 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -48.86 -27.85 3.34 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.18 0.925 . . . . 0.0 113.448 -178.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.5 mt -110.1 112.92 42.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 O-C-N 124.593 1.183 . . . . 0.0 109.566 -179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 13.4 t -69.29 148.54 49.61 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 177.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.85 -12.68 60.21 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 111.404 0.149 . . . . 0.0 111.404 -178.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.6 mm -116.4 -77.6 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 O-C-N 124.94 1.4 . . . . 0.0 111.38 -178.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -66.3 -9.66 34.97 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -176.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.2 -20.84 5.45 Favored Glycine 0 CA--C 1.521 0.457 0 CA-C-O 118.377 -1.235 . . . . 0.0 113.526 178.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -167.05 16.74 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 119.458 1.629 . . . . 0.0 114.413 -179.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.498 HD22 ' N ' ' A' ' 26' ' ' ASN . 1.1 m-80 -93.48 7.09 45.92 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-N 118.225 0.466 . . . . 0.0 110.265 177.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.26 -61.65 1.97 Allowed 'General case' 0 C--O 1.233 0.214 0 O-C-N 124.724 1.265 . . . . 0.0 108.808 -179.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.84 -45.89 80.54 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.415 178.703 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.09 -175.31 1.14 Allowed 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 116.711 -0.222 . . . . 0.0 111.096 -178.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -55.84 138.4 48.32 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.866 -179.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -88.46 40.94 0.99 Allowed 'General case' 0 C--N 1.344 0.344 0 O-C-N 124.034 0.834 . . . . 0.0 110.291 -178.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -82.75 -33.92 27.29 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.173 179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.8 p -79.5 -10.71 59.85 Favored 'General case' 0 C--O 1.225 -0.188 0 O-C-N 123.595 0.559 . . . . 0.0 110.761 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -66.52 -36.64 83.19 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.4 -0.52 . . . . 0.0 110.428 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 63.5 mtt -69.04 -43.0 75.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.752 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 63.3 m-20 -81.23 142.16 33.44 Favored 'General case' 0 N--CA 1.463 0.223 0 O-C-N 123.599 0.562 . . . . 0.0 110.84 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 14.0 mt -93.59 17.37 11.8 Favored 'General case' 0 N--CA 1.466 0.37 0 O-C-N 123.975 0.797 . . . . 0.0 109.736 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.8 p -82.7 163.9 21.04 Favored 'General case' 0 N--CA 1.464 0.243 0 O-C-N 123.798 0.686 . . . . 0.0 110.439 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -78.44 147.73 33.88 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.331 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.9 m -59.88 127.01 29.8 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.495 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -84.33 119.44 25.09 Favored 'General case' 0 N--CA 1.465 0.278 0 O-C-N 123.766 0.666 . . . . 0.0 110.802 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -68.89 140.37 55.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.116 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -69.02 137.71 53.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.935 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -62.07 -49.08 77.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.876 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.9 tttm -67.03 131.62 46.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.865 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -150.1 2.75 0.51 Allowed 'General case' 0 N--CA 1.471 0.594 0 O-C-N 123.915 0.759 . . . . 0.0 110.192 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.0 m -61.56 -46.36 90.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.854 -179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 62.8 tt0 -77.41 138.42 39.27 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.77 106.01 0.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.56 179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -77.36 -49.71 14.34 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.095 -179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -163.7 104.28 0.93 Allowed 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.378 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -74.77 67.74 1.64 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.605 0.717 . . . . 0.0 109.483 179.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 13.3 m -70.56 -72.54 0.2 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.199 -0.909 . . . . 0.0 111.515 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 75.8 m -94.34 76.11 3.92 Favored 'General case' 0 C--N 1.342 0.282 0 O-C-N 124.128 0.893 . . . . 0.0 110.685 -179.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -49.13 -27.38 3.42 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 115.025 -0.988 . . . . 0.0 111.708 -179.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 32.0 mt -65.11 -43.99 90.25 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 178.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 10.9 t -92.49 112.44 24.39 Favored 'General case' 0 C--N 1.348 0.501 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -68.14 -31.38 70.92 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.413 -177.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -75.12 -29.05 60.44 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -178.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.8 -23.91 65.4 Favored 'General case' 0 C--O 1.221 -0.422 0 CA-C-O 120.672 0.273 . . . . 0.0 110.802 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -57.43 -35.44 70.09 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.873 -178.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -93.57 -52.86 4.29 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 124.023 0.827 . . . . 0.0 111.521 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -137.78 117.3 12.92 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 124.427 1.079 . . . . 0.0 109.998 -178.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.5 mmtt -54.68 137.78 43.22 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.273 0.983 . . . . 0.0 111.183 -179.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.16 22.12 8.72 Favored 'General case' 0 N--CA 1.474 0.758 0 O-C-N 124.943 1.402 . . . . 0.0 110.489 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.6 mt -62.38 1.17 0.37 Allowed 'General case' 0 N--CA 1.481 1.08 0 O-C-N 121.229 -0.92 . . . . 0.0 113.194 -178.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.48 -45.4 69.06 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 121.7 -0.625 . . . . 0.0 110.974 179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.3 pt -62.29 -42.83 96.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 C-N-CA 120.479 -0.488 . . . . 0.0 111.657 -178.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -58.21 -46.11 86.43 Favored 'General case' 0 CA--C 1.528 0.109 0 CA-C-N 117.703 0.229 . . . . 0.0 110.609 179.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 -75.8 130.61 38.87 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.591 179.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -64.73 -45.14 87.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.522 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 -74.27 127.99 34.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.619 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 72.1 m80 -62.89 -48.43 79.02 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -77.41 146.67 36.45 Favored 'General case' 0 C--O 1.232 0.136 0 O-C-N 123.46 0.475 . . . . 0.0 110.235 179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.65 22.9 78.6 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.55 -40.54 99.25 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 47.7 t -72.16 142.42 49.08 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 55.0 mtp -71.55 142.82 50.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.507 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -70.93 161.1 54.07 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.856 -0.897 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 31.7 mmm -75.97 146.41 39.61 Favored 'General case' 0 C--O 1.233 0.21 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 39.6 p -159.46 161.4 35.46 Favored 'General case' 0 C--O 1.232 0.18 0 O-C-N 123.606 0.566 . . . . 0.0 110.421 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 74.67 18.62 80.03 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 78.3 p -62.47 -40.11 95.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.662 0.268 . . . . 0.0 110.674 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -168.21 169.92 41.75 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 16.5 p -66.32 -32.54 74.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.811 0.339 . . . . 0.0 110.528 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.26 -37.69 95.28 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 54.9 t80 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.995 -1.002 . . . . 0.0 110.458 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.4 mtp . . . . . 0 N--CA 1.492 1.662 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.39 -40.49 96.41 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -163.85 72.45 1.77 Allowed Pre-proline 0 CA--C 1.545 0.784 0 CA-C-O 119.363 -0.351 . . . . 0.0 110.818 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -59.63 145.97 96.61 Favored 'Trans proline' 0 N--CA 1.499 1.821 0 C-N-CA 121.459 1.439 . . . . 0.0 111.703 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.2 t -73.5 121.97 86.45 Favored Pre-proline 0 CA--C 1.569 1.69 0 CA-C-O 117.85 -1.071 . . . . 0.0 110.04 -179.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -54.41 -38.65 89.45 Favored 'Trans proline' 0 N--CA 1.507 2.276 0 CA-C-N 122.467 1.917 . . . . 0.0 112.769 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -60.65 150.6 74.78 Favored Pre-proline 0 CA--C 1.55 0.975 0 CA-C-O 118.512 -0.756 . . . . 0.0 109.761 -179.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -72.21 -173.27 1.06 Allowed 'Trans proline' 0 N--CA 1.499 1.842 0 CA-C-N 121.442 1.551 . . . . 0.0 111.065 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 49.7 m-20 -146.12 70.16 13.16 Favored Pre-proline 0 CA--C 1.546 0.813 0 O-C-N 123.711 0.632 . . . . 0.0 110.518 -179.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -76.86 -7.71 17.58 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 121.571 1.514 . . . . 0.0 112.076 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.2 mt -62.38 -40.87 97.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.835 -179.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 50.03 73.34 1.01 Allowed Pre-proline 0 CA--C 1.547 0.85 0 O-C-N 124.026 0.829 . . . . 0.0 110.76 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_exo -58.37 144.3 96.49 Favored 'Trans proline' 0 N--CA 1.5 1.86 0 C-N-CA 121.325 1.35 . . . . 0.0 112.128 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 81.9 mtt85 -60.59 -32.37 71.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.278 -179.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -60.5 -35.33 88.73 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 76.18 142.76 1.25 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -80.11 -50.43 10.33 Favored 'General case' 0 C--O 1.223 -0.3 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -61.43 -51.18 69.79 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -178.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.9 mt -99.69 110.37 26.71 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.45 0 O-C-N 123.998 0.811 . . . . 0.0 109.643 -177.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.3 t -73.24 143.38 47.12 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 177.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.46 -14.63 61.39 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -177.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.8 mt -114.49 -71.08 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.808 0 O-C-N 124.67 1.231 . . . . 0.0 111.923 -176.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -80.52 -19.74 45.11 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 113.507 0.928 . . . . 0.0 113.507 -175.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 76.77 -10.11 20.18 Favored Glycine 0 CA--C 1.53 1.029 0 CA-C-O 118.57 -1.128 . . . . 0.0 113.317 -178.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 34.0 m-80 -155.16 15.88 0.41 Allowed 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 115.399 1.629 . . . . 0.0 115.399 -177.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.74 HD21 ' H ' ' A' ' 33' ' ' THR . 2.1 m-20 -83.28 -39.41 20.87 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.873 -0.517 . . . . 0.0 109.771 176.281 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.26 -29.58 63.94 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.117 -179.309 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -65.26 -35.4 80.92 Favored 'General case' 0 N--CA 1.442 -0.86 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.365 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -128.28 -113.02 0.27 Allowed 'General case' 0 CA--C 1.552 1.055 0 O-C-N 124.279 0.987 . . . . 0.0 112.012 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -88.92 167.94 12.8 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 123.224 0.61 . . . . 0.0 111.349 -178.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -122.9 66.12 0.97 Allowed 'General case' 0 C--N 1.349 0.568 0 O-C-N 124.368 1.043 . . . . 0.0 110.48 -179.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 78.3 m-70 -102.95 -36.49 8.18 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 124.544 1.152 . . . . 0.0 111.54 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.74 ' H ' HD21 ' A' ' 26' ' ' ASN . 4.9 p -84.43 -6.25 59.36 Favored 'General case' 0 N--CA 1.467 0.391 0 O-C-N 123.781 0.675 . . . . 0.0 110.334 -179.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -62.24 -32.02 72.66 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.978 0.418 . . . . 0.0 110.464 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.4 mmm -64.03 -41.31 97.46 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.619 -179.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -82.2 113.28 19.92 Favored 'General case' 0 C--O 1.234 0.274 0 O-C-N 123.653 0.596 . . . . 0.0 111.273 -179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.7 mt -85.83 130.65 34.49 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.238 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.1 t -156.46 155.22 31.68 Favored 'General case' 0 N--CA 1.468 0.429 0 O-C-N 123.624 0.577 . . . . 0.0 110.5 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -158.78 118.14 3.08 Favored 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.568 0.543 . . . . 0.0 110.212 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 15.1 t -157.54 153.08 26.38 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.434 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -80.94 120.41 24.71 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 123.607 0.567 . . . . 0.0 109.693 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -72.41 137.53 46.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.794 -179.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 56.4 m-20 -71.2 141.39 50.66 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.882 -179.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -62.23 -43.38 98.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.237 179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 74.5 tttt -67.13 134.94 52.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.709 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -151.6 149.85 29.63 Favored 'General case' 0 N--CA 1.468 0.46 0 O-C-N 124.004 0.815 . . . . 0.0 110.139 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 91.9 m -64.27 -39.27 93.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.396 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -131.96 141.52 49.33 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 124.244 0.965 . . . . 0.0 110.227 -179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 35.6 p -163.96 155.33 16.26 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.232 179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -140.12 142.22 36.05 Favored 'General case' 0 C--N 1.343 0.284 0 O-C-N 124.184 0.927 . . . . 0.0 108.922 179.133 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -100.13 -1.77 35.83 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 124.195 0.934 . . . . 0.0 109.892 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.36 -40.48 96.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.553 -178.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 47.4 m -108.68 172.5 6.81 Favored 'General case' 0 C--N 1.345 0.403 0 O-C-N 124.193 0.933 . . . . 0.0 111.11 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 12.7 p -55.04 -21.51 12.58 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.612 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.4 t0 73.38 -7.61 1.5 Allowed 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.218 1.007 . . . . 0.0 111.28 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 90.0 mt -66.27 -44.6 83.15 Favored 'General case' 0 N--CA 1.449 -0.512 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 t -90.8 133.47 35.18 Favored 'General case' 0 C--N 1.347 0.462 0 N-CA-C 107.834 -1.172 . . . . 0.0 107.834 178.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -76.19 -39.14 55.48 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -176.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -79.28 -20.06 48.99 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.061 0.393 . . . . 0.0 112.061 -177.183 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.6 m -68.86 -27.32 65.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.384 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 70.2 mtp180 -50.58 -37.81 41.97 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.977 0.798 . . . . 0.0 111.91 -177.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -91.3 -53.5 4.32 Favored 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.994 0.809 . . . . 0.0 111.506 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -142.44 116.11 9.18 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 124.233 0.958 . . . . 0.0 110.155 -178.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -46.89 144.93 2.21 Favored 'General case' 0 N--CA 1.473 0.703 0 O-C-N 124.321 1.013 . . . . 0.0 112.594 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.03 22.15 9.62 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 124.718 1.261 . . . . 0.0 110.433 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.2 mt -63.79 8.03 0.1 Allowed 'General case' 0 CA--C 1.554 1.101 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -178.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.12 -38.22 90.28 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 121.308 -0.87 . . . . 0.0 110.399 178.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.82 -71.03 0.22 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 O-C-N 123.457 0.473 . . . . 0.0 111.542 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -74.94 123.05 24.42 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 121.048 0.452 . . . . 0.0 111.011 178.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -68.7 -42.32 77.91 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.043 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 59.51 100.19 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 121.869 0.842 . . . . 0.0 110.43 -179.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -72.8 138.89 46.69 Favored 'General case' 0 N--CA 1.462 0.154 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.394 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -71.07 136.42 48.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.501 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 95.0 m-70 -65.4 -43.7 89.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.475 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 68.66 -176.11 29.08 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 70.87 -172.84 42.74 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 9.7 p -73.81 166.71 22.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.812 0.339 . . . . 0.0 110.476 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 33.0 mmm -63.25 -40.61 97.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.319 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.57 134.68 22.7 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 50.1 mtt -64.69 -40.04 94.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.372 . . . . 0.0 110.3 179.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.3 p -61.9 -39.17 91.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.005 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 76.3 19.65 78.07 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.9 t -62.06 -43.45 98.81 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.829 0.347 . . . . 0.0 110.584 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -173.46 -176.62 42.08 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -155.93 158.95 38.81 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.821 0.343 . . . . 0.0 111.172 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -69.7 151.7 50.82 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.859 -0.896 . . . . 0.0 110.859 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.087 -0.959 . . . . 0.0 110.508 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.0 mtp . . . . . 0 N--CA 1.493 1.687 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -62.83 -39.6 98.2 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 50.05 69.59 2.55 Favored Pre-proline 0 CA--C 1.544 0.735 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -58.91 144.43 98.93 Favored 'Trans proline' 0 N--CA 1.499 1.819 0 C-N-CA 121.188 1.259 . . . . 0.0 111.861 179.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -137.29 72.12 52.64 Favored Pre-proline 0 CA--C 1.56 1.35 0 O-C-N 124.187 0.929 . . . . 0.0 109.678 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -56.41 -41.66 73.86 Favored 'Trans proline' 0 N--CA 1.502 1.981 0 C-N-CA 121.72 1.613 . . . . 0.0 112.68 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -164.26 87.25 1.14 Allowed Pre-proline 0 CA--C 1.553 1.065 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.813 -179.167 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 66.0 Cg_endo -84.32 -175.39 2.15 Favored 'Trans proline' 0 N--CA 1.497 1.69 0 C-N-CA 122.052 1.834 . . . . 0.0 111.393 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -150.63 73.7 8.85 Favored Pre-proline 0 CA--C 1.545 0.781 0 O-C-N 123.74 0.65 . . . . 0.0 110.157 -179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -57.08 -28.97 81.32 Favored 'Trans proline' 0 N--CA 1.503 2.077 0 C-N-CA 122.038 1.825 . . . . 0.0 111.83 179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.7 mt -61.67 -38.59 88.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.427 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 51.41 70.8 1.76 Allowed Pre-proline 0 CA--C 1.547 0.838 0 O-C-N 124.014 0.821 . . . . 0.0 111.219 -179.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -58.35 143.33 97.64 Favored 'Trans proline' 0 N--CA 1.497 1.735 0 C-N-CA 121.392 1.395 . . . . 0.0 112.188 179.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.04 -39.53 93.49 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.195 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.74 -177.2 48.04 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -168.63 164.51 38.1 Favored Glycine 0 N--CA 1.461 0.335 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -65.58 -50.64 64.36 Favored 'General case' 0 N--CA 1.441 -0.904 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -48.22 -25.06 1.36 Allowed 'General case' 0 N--CA 1.476 0.843 0 N-CA-C 113.95 1.093 . . . . 0.0 113.95 -178.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.7 mt -107.13 112.53 40.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 124.158 0.911 . . . . 0.0 109.167 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 31.6 t -72.6 151.87 42.1 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 178.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.79 -14.41 59.59 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 122.41 -0.181 . . . . 0.0 111.262 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.0 mt -114.71 -78.23 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 O-C-N 124.852 1.345 . . . . 0.0 110.213 -178.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.39 -10.16 15.63 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -176.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.46 -18.69 5.35 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-O 118.247 -1.307 . . . . 0.0 112.841 179.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -165.78 18.92 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.659 0 N-CA-C 115.792 1.775 . . . . 0.0 115.792 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.486 HD22 ' N ' ' A' ' 26' ' ' ASN . 1.4 m-80 -93.93 3.3 55.57 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-N 119.282 0.946 . . . . 0.0 112.016 177.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.94 64.72 2.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.924 0.869 . . . . 0.0 109.584 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -174.86 -16.94 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 115.111 -0.949 . . . . 0.0 111.037 178.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -132.6 -143.94 0.23 Allowed 'General case' 0 N--CA 1.478 0.953 0 O-C-N 124.177 0.923 . . . . 0.0 110.932 -178.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -65.16 138.08 58.04 Favored 'General case' 0 C--O 1.233 0.209 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 -179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -96.92 45.15 1.05 Allowed 'General case' 0 CA--C 1.532 0.268 0 O-C-N 124.479 1.112 . . . . 0.0 109.902 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -83.04 -33.55 26.45 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.295 179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.5 p -78.9 -15.3 58.51 Favored 'General case' 0 CA--C 1.517 -0.309 0 O-C-N 123.52 0.513 . . . . 0.0 110.323 -179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -64.52 -40.0 94.81 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.343 -0.543 . . . . 0.0 109.858 -179.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 47.1 mtp -66.98 -41.41 86.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.653 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -74.91 136.47 41.43 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.272 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.5 mt -79.69 144.05 34.04 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.425 179.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.6 p -77.61 163.97 25.76 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 123.215 0.322 . . . . 0.0 110.418 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -81.46 142.03 33.32 Favored 'General case' 0 N--CA 1.466 0.347 0 O-C-N 123.675 0.609 . . . . 0.0 110.968 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 20.7 p -66.45 -34.13 77.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.129 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -72.81 156.63 38.7 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.618 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -64.95 133.55 52.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.06 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -72.96 143.28 47.69 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -76.1 140.36 41.8 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.477 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -70.38 136.74 49.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 109.901 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -73.48 130.09 39.37 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.002 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 94.8 m -66.92 -39.23 87.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.759 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 73.0 tt0 -66.67 139.49 57.86 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.3 p -163.91 160.86 22.55 Favored 'General case' 0 C--O 1.232 0.169 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -140.97 145.0 35.42 Favored 'General case' 0 N--CA 1.465 0.303 0 O-C-N 124.273 0.983 . . . . 0.0 110.134 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -73.12 -6.92 48.89 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.862 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -57.51 -72.07 0.09 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.478 -179.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 13.8 t -96.76 -125.93 0.14 Allowed 'General case' 0 N--CA 1.475 0.811 0 O-C-N 123.994 0.809 . . . . 0.0 110.63 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 92.6 p -126.1 -123.8 0.24 Allowed 'General case' 0 C--N 1.35 0.628 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.7 m-20 -146.64 -9.88 0.47 Allowed 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.364 0.415 . . . . 0.0 111.242 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.3 mt -64.6 -54.39 32.81 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.3 t -94.44 110.56 22.33 Favored 'General case' 0 C--N 1.342 0.277 0 O-C-N 123.903 0.752 . . . . 0.0 109.295 178.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -69.99 -32.01 69.99 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -178.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -75.05 -25.95 59.04 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -177.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.2 m -60.47 -28.12 68.08 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 121.079 -0.248 . . . . 0.0 110.65 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -59.2 -40.45 85.81 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.702 -178.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -84.6 -53.07 5.65 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 123.672 0.608 . . . . 0.0 111.544 -179.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -136.72 115.75 12.39 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 124.511 1.132 . . . . 0.0 109.548 -179.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.1 mmtt -54.83 134.63 48.11 Favored 'General case' 0 N--CA 1.469 0.495 0 O-C-N 123.83 0.706 . . . . 0.0 111.392 -179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -121.72 10.8 10.37 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 124.88 1.362 . . . . 0.0 110.509 179.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.2 mt -56.63 -2.22 0.07 Allowed 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -177.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -65.25 -41.64 94.1 Favored 'General case' 0 C--O 1.232 0.158 0 O-C-N 121.402 -0.812 . . . . 0.0 111.371 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -58.38 -57.77 9.44 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -178.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -56.28 -41.93 76.66 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 117.923 0.329 . . . . 0.0 111.232 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 54.5 m80 -72.22 141.54 49.0 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.83 0.348 . . . . 0.0 110.511 179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.0 mm-40 -68.05 140.62 56.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.45 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 74.6 m80 -65.85 -36.73 84.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.732 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -60.12 -46.44 89.61 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.062 -179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -67.03 -41.21 86.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.834 0.35 . . . . 0.0 110.483 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 71.31 -170.73 47.49 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.67 -37.28 94.49 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 36.5 p -160.6 162.51 32.83 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-O 120.831 0.348 . . . . 0.0 110.538 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 45.0 mtp -64.54 -39.92 94.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.322 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.87 -178.09 49.05 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 34.3 mmm -64.36 -40.57 96.12 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 110.5 -0.185 . . . . 0.0 110.5 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 37.9 p -160.55 162.75 33.03 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.563 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.91 157.46 53.5 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 85.7 p -73.58 162.21 29.48 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.784 0.326 . . . . 0.0 110.657 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -68.63 155.8 53.35 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.8 p -75.9 164.64 25.99 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.801 0.334 . . . . 0.0 110.426 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.69 -40.11 98.21 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.91 -1.043 . . . . 0.0 110.592 179.882 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.7 mmm . . . . . 0 N--CA 1.491 1.618 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.94 171.43 48.04 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -163.97 70.94 1.72 Allowed Pre-proline 0 CA--C 1.545 0.783 0 CA-C-O 119.428 -0.32 . . . . 0.0 111.001 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -60.28 145.61 98.23 Favored 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 121.16 1.24 . . . . 0.0 111.832 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -79.87 153.37 75.23 Favored Pre-proline 0 CA--C 1.552 1.054 0 CA-C-O 117.744 -1.122 . . . . 0.0 110.499 -179.052 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -51.41 -38.73 63.84 Favored 'Trans proline' 0 N--CA 1.508 2.362 0 C-N-CA 121.939 1.76 . . . . 0.0 112.509 178.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -70.83 149.74 95.12 Favored Pre-proline 0 CA--C 1.555 1.135 0 CA-C-O 118.481 -0.771 . . . . 0.0 109.758 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -72.13 -174.59 1.42 Allowed 'Trans proline' 0 N--CA 1.502 1.984 0 CA-C-N 121.554 1.591 . . . . 0.0 111.597 179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -149.79 73.32 9.6 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 123.136 0.574 . . . . 0.0 110.463 -179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -79.45 1.14 9.45 Favored 'Trans proline' 0 N--CA 1.494 1.532 0 C-N-CA 122.191 1.927 . . . . 0.0 111.961 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 81.4 mt -72.11 -43.1 65.27 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.115 179.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -58.07 -59.4 13.4 Favored Pre-proline 0 CA--C 1.543 0.687 0 CA-C-O 118.325 -0.845 . . . . 0.0 112.056 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -58.38 142.33 97.64 Favored 'Trans proline' 0 N--CA 1.497 1.715 0 CA-C-N 121.168 1.453 . . . . 0.0 112.527 -179.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -61.78 -44.74 96.28 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.797 -179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.99 -166.85 54.41 Favored Glycine 0 CA--C 1.527 0.824 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.04 158.67 53.12 Favored Glycine 0 N--CA 1.46 0.252 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 54.0 mmtt -65.59 -50.39 65.29 Favored 'General case' 0 N--CA 1.443 -0.799 0 N-CA-C 107.81 -1.181 . . . . 0.0 107.81 179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -46.15 -24.55 0.46 Allowed 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 -179.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.9 mt -106.65 113.79 44.13 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 O-C-N 124.28 0.988 . . . . 0.0 109.675 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 43.0 t -73.0 153.07 41.07 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 177.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.4 -15.83 58.26 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-N 116.828 -0.169 . . . . 0.0 111.101 -179.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.1 mt -114.45 -79.03 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 O-C-N 124.752 1.282 . . . . 0.0 109.694 -178.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -62.07 -8.41 5.35 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -177.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.65 -19.62 3.95 Favored Glycine 0 CA--C 1.524 0.638 0 CA-C-O 118.541 -1.144 . . . . 0.0 113.161 179.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -166.53 17.15 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 115.389 1.625 . . . . 0.0 115.389 -178.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.499 HD22 ' N ' ' A' ' 26' ' ' ASN . 1.1 m-80 -94.1 11.31 30.37 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 118.947 0.794 . . . . 0.0 111.285 177.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -81.87 63.51 6.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.538 -0.755 . . . . 0.0 109.231 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -178.18 -12.26 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.09 178.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -134.56 -153.58 0.53 Allowed 'General case' 0 N--CA 1.477 0.917 0 O-C-N 123.813 0.696 . . . . 0.0 111.519 -178.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -56.99 123.07 13.89 Favored 'General case' 0 C--N 1.342 0.251 0 C-N-CA 122.445 0.298 . . . . 0.0 111.306 -178.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -83.88 46.71 1.21 Allowed 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.69 0.619 . . . . 0.0 110.454 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -85.56 -32.76 21.96 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.35 179.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.9 p -79.27 -14.59 58.93 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.292 -179.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -64.9 -36.86 85.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.337 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 44.6 mtp -65.48 -41.91 92.77 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.785 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.5 p30 -167.24 150.92 6.53 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.737 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.9 mt -86.25 17.72 3.54 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 123.73 0.644 . . . . 0.0 110.21 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.0 p -68.27 -42.59 79.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.596 179.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 45.2 t80 -82.52 135.06 35.19 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.779 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 18.0 p -119.29 132.43 55.9 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 124.416 1.073 . . . . 0.0 109.725 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -85.09 109.24 18.1 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.837 0.71 . . . . 0.0 110.653 -179.618 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -78.55 134.71 37.22 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.617 -179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -76.26 141.74 41.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.87 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 88.4 m-85 -76.6 108.6 9.71 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.347 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -79.61 -0.69 34.78 Favored 'General case' 0 N--CA 1.465 0.302 0 O-C-N 123.575 0.547 . . . . 0.0 109.879 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.0 t30 -61.99 -43.58 98.54 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.128 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -165.42 141.72 5.43 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.293 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 37.9 mm-40 -125.52 119.07 27.19 Favored 'General case' 0 N--CA 1.477 0.921 0 O-C-N 124.452 1.095 . . . . 0.0 110.256 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.3 m -62.0 -41.31 97.92 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.658 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 98.8 m-85 -148.08 156.47 42.65 Favored 'General case' 0 N--CA 1.469 0.478 0 O-C-N 124.232 0.958 . . . . 0.0 109.454 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 96.9 m-70 -87.25 78.93 8.7 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 124.013 0.821 . . . . 0.0 110.47 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 96.0 mttt 50.49 99.03 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 O-C-N 124.282 0.989 . . . . 0.0 110.899 179.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 18.3 m -84.11 -78.37 0.24 Allowed 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.745 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 15.1 m -57.96 -41.01 81.97 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.496 -178.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 71.31 49.41 0.32 Allowed 'General case' 0 N--CA 1.468 0.471 0 O-C-N 125.104 1.503 . . . . 0.0 112.151 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 pp -165.24 -39.79 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.671 178.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 11.3 t -94.64 133.75 37.95 Favored 'General case' 0 C--N 1.346 0.418 0 O-C-N 124.462 1.101 . . . . 0.0 108.701 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.7 mt-30 -79.49 -43.85 22.39 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.28 0.844 . . . . 0.0 113.28 -177.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -74.8 -22.89 58.49 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -177.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.6 m -61.49 -20.54 63.3 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-O 120.924 0.393 . . . . 0.0 110.812 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -59.19 -41.86 89.51 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -178.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -92.5 -49.14 6.28 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 123.985 0.803 . . . . 0.0 111.693 -178.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -138.36 120.59 15.79 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 124.59 1.181 . . . . 0.0 109.721 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -56.91 138.97 53.09 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 124.026 0.829 . . . . 0.0 110.711 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -120.44 12.14 11.56 Favored 'General case' 0 C--O 1.212 -0.913 0 O-C-N 125.062 1.476 . . . . 0.0 110.645 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.0 mp -55.53 -3.84 0.08 Allowed 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 -177.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.6 -41.32 98.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 121.474 -0.766 . . . . 0.0 111.012 179.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -59.91 -55.31 24.91 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 -178.594 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -56.73 -41.64 77.85 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 117.992 0.36 . . . . 0.0 110.902 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -72.16 141.22 49.09 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.633 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -70.7 153.34 42.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.394 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 92.4 m-70 -66.73 -38.27 86.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.678 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 67.4 m80 -60.59 -45.66 93.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 58.9 m80 -66.21 -40.38 90.29 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.603 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.74 -34.57 90.07 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -62.51 149.45 48.46 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 78.0 p -64.63 -26.27 68.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.806 0.336 . . . . 0.0 110.418 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 47.7 mtp -64.27 -41.36 96.95 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.334 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -64.97 -39.25 96.33 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 54.0 mtp -75.06 140.73 43.7 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.825 0.345 . . . . 0.0 110.377 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.7 p -62.4 -39.59 93.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.759 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 61.87 -131.99 46.26 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 41.5 t -66.85 144.71 56.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.748 0.309 . . . . 0.0 110.594 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -70.29 153.46 51.86 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 19.8 p -66.65 -32.83 74.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.858 0.361 . . . . 0.0 110.475 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.46 -36.84 93.72 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 . . . . . 0 N--CA 1.469 0.486 0 CA-C-O 118.161 -0.923 . . . . 0.0 110.436 -179.508 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 77.7 mtp . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 109.087 -0.708 . . . . 0.0 109.087 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -71.03 162.53 54.11 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -163.6 71.94 1.83 Allowed Pre-proline 0 CA--C 1.544 0.735 0 CA-C-O 119.501 -0.285 . . . . 0.0 110.785 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -60.42 145.98 97.63 Favored 'Trans proline' 0 N--CA 1.499 1.818 0 C-N-CA 121.15 1.233 . . . . 0.0 111.773 179.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -137.52 72.31 50.77 Favored Pre-proline 0 CA--C 1.56 1.365 0 O-C-N 124.072 0.858 . . . . 0.0 109.807 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -56.08 -40.19 86.45 Favored 'Trans proline' 0 N--CA 1.504 2.119 0 C-N-CA 121.732 1.621 . . . . 0.0 112.398 179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -63.9 153.96 82.8 Favored Pre-proline 0 CA--C 1.545 0.782 0 CA-C-O 118.345 -0.836 . . . . 0.0 109.262 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -75.33 6.75 3.34 Favored 'Trans proline' 0 N--CA 1.5 1.894 0 CA-C-N 121.396 1.534 . . . . 0.0 112.703 179.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.3 t70 53.17 67.73 3.54 Favored Pre-proline 0 CA--C 1.547 0.834 0 O-C-N 123.845 0.716 . . . . 0.0 111.295 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -76.06 -12.98 19.43 Favored 'Trans proline' 0 N--CA 1.496 1.656 0 C-N-CA 121.654 1.569 . . . . 0.0 112.57 -178.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.55 -41.18 98.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.483 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 49.59 69.99 2.34 Favored Pre-proline 0 CA--C 1.549 0.92 0 O-C-N 123.964 0.79 . . . . 0.0 111.036 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -55.11 -36.71 93.61 Favored 'Trans proline' 0 N--CA 1.504 2.138 0 C-N-CA 121.834 1.689 . . . . 0.0 112.558 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.76 -38.45 91.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.256 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -62.99 -41.34 99.92 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 66.22 99.17 0.02 OUTLIER Glycine 0 N--CA 1.462 0.385 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -64.23 -53.36 50.43 Favored 'General case' 0 N--CA 1.448 -0.557 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -49.65 -25.5 2.91 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -178.057 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.5 mt -107.96 114.51 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 O-C-N 124.32 1.012 . . . . 0.0 109.532 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.1 t -73.49 151.3 41.09 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 178.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.81 -14.54 59.55 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 111.244 0.09 . . . . 0.0 111.244 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.3 mt -114.95 -78.53 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 O-C-N 124.72 1.262 . . . . 0.0 110.099 -178.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -63.15 -9.32 10.47 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -176.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 78.73 -19.29 5.14 Favored Glycine 0 CA--C 1.527 0.801 0 CA-C-O 118.205 -1.331 . . . . 0.0 113.063 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -165.98 18.27 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 115.61 1.708 . . . . 0.0 115.61 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -94.54 9.41 38.69 Favored 'General case' 0 N--CA 1.503 2.201 0 CA-C-N 119.489 1.04 . . . . 0.0 112.084 178.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.26 66.18 9.42 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.39 179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -140.29 -41.01 0.42 Allowed 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 114.673 -1.149 . . . . 0.0 109.751 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -158.62 -68.78 0.09 Allowed 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 113.089 0.774 . . . . 0.0 113.089 -179.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -79.41 140.46 37.41 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 110.115 -0.328 . . . . 0.0 110.115 -178.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -125.0 42.99 3.15 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 124.702 1.251 . . . . 0.0 109.607 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -80.48 -36.12 33.86 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.698 179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.6 p -79.67 -12.61 59.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.948 -178.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -65.43 -35.9 82.32 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.282 -179.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 47.9 mtm -67.12 -41.97 85.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.539 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -164.77 137.96 4.82 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.842 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 49.6 mt -73.05 147.07 45.38 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 m -78.23 125.49 29.43 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.557 0.536 . . . . 0.0 110.262 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -63.1 -48.83 76.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.2 m -73.66 131.51 41.73 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.183 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -144.29 17.64 1.71 Allowed 'General case' 0 N--CA 1.474 0.74 0 O-C-N 123.919 0.762 . . . . 0.0 109.974 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -69.53 -40.29 77.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.16 -0.473 . . . . 0.0 109.972 179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -71.0 149.12 46.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.523 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -70.58 143.58 51.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.776 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.71 -41.61 99.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.351 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.0 t30 -156.95 105.88 2.2 Favored 'General case' 0 N--CA 1.466 0.335 0 O-C-N 123.587 0.555 . . . . 0.0 110.471 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 94.0 m -65.72 -40.49 92.26 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.676 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -70.13 150.11 46.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.189 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 37.7 p -160.77 162.1 32.31 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.546 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -154.74 -39.32 0.09 Allowed 'General case' 0 N--CA 1.466 0.372 0 O-C-N 123.85 0.719 . . . . 0.0 109.935 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -148.1 90.32 1.81 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 124.092 0.87 . . . . 0.0 110.309 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -77.68 62.36 2.56 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.761 0.791 . . . . 0.0 109.792 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 6.3 m -69.82 -68.63 0.4 Allowed 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.833 -179.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.0 m -99.94 81.36 2.42 Favored 'General case' 0 CA--C 1.512 -0.509 0 O-C-N 124.253 0.971 . . . . 0.0 110.718 -179.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -53.51 -26.46 20.93 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.3 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.1 mt -63.45 -44.9 93.17 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 9.8 t -92.54 115.99 28.6 Favored 'General case' 0 C--N 1.347 0.484 0 O-C-N 124.061 0.85 . . . . 0.0 109.362 178.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -66.8 -37.24 84.15 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 -177.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -73.7 -27.46 61.22 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -178.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.5 m -62.38 -17.27 58.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.728 0.299 . . . . 0.0 111.248 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 91.3 mtt-85 -61.31 -42.29 98.42 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -178.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -112.23 -42.83 3.64 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 124.184 0.927 . . . . 0.0 112.433 -178.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -115.78 108.09 15.89 Favored 'General case' 0 N--CA 1.481 1.076 0 O-C-N 124.308 1.005 . . . . 0.0 110.282 -179.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -64.37 131.93 48.64 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.544 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.27 10.33 14.78 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 125.208 1.567 . . . . 0.0 110.715 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 12.3 mt -54.71 -2.45 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.236 0 N-CA-C 114.553 1.316 . . . . 0.0 114.553 -177.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.95 -46.31 85.26 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 121.413 -0.804 . . . . 0.0 110.705 179.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.2 pt -61.33 -85.2 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 C-N-CA 120.576 -0.45 . . . . 0.0 111.601 -178.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 72.0 t60 -68.78 129.78 40.93 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.754 0.312 . . . . 0.0 110.946 -179.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -73.19 137.66 45.2 Favored 'General case' 0 N--CA 1.462 0.145 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.653 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -73.25 138.69 45.69 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.282 -0.417 . . . . 0.0 109.987 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -72.61 136.46 45.74 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.498 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -73.01 133.59 44.32 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.78 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -66.43 -40.34 89.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.367 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -63.44 -36.8 93.86 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.0 164.85 46.3 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.2 p -159.58 162.85 35.4 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.893 0.378 . . . . 0.0 110.552 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 47.1 mtp -64.53 -40.66 96.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.333 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 76.54 -0.39 64.87 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 34.0 mmm -65.32 -39.55 92.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 0.0 110.42 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 44.3 t -64.36 144.42 57.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.761 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -63.48 -37.06 94.21 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 111.052 -0.819 . . . . 0.0 111.052 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 97.6 p -76.37 -2.83 33.74 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.66 0.267 . . . . 0.0 110.81 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.28 -33.01 82.86 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.697 -0.961 . . . . 0.0 110.697 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.6 t -65.37 144.28 57.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.881 0.372 . . . . 0.0 110.885 179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 70.47 -163.18 53.2 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.07 -0.812 . . . . 0.0 111.07 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.614 179.93 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.9 mtp . . . . . 0 N--CA 1.493 1.7 0 N-CA-C 109.087 -0.709 . . . . 0.0 109.087 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.43 171.85 43.8 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -164.06 71.8 1.7 Allowed Pre-proline 0 CA--C 1.545 0.751 0 CA-C-O 119.509 -0.281 . . . . 0.0 110.612 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -59.9 145.64 97.79 Favored 'Trans proline' 0 N--CA 1.498 1.794 0 C-N-CA 121.334 1.356 . . . . 0.0 111.972 179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.1 m -137.04 72.7 53.46 Favored Pre-proline 0 CA--C 1.559 1.318 0 O-C-N 124.284 0.99 . . . . 0.0 109.764 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -55.76 -41.32 78.68 Favored 'Trans proline' 0 N--CA 1.503 2.042 0 C-N-CA 121.775 1.65 . . . . 0.0 112.465 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -82.16 176.66 3.61 Favored Pre-proline 0 N--CA 1.471 0.579 0 O-C-N 123.96 0.788 . . . . 0.0 109.039 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -60.35 -164.32 0.03 OUTLIER 'Trans proline' 0 N--CA 1.504 2.1 0 CA-C-N 121.33 1.511 . . . . 0.0 113.526 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -151.04 76.51 7.89 Favored Pre-proline 0 CA--C 1.548 0.886 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.705 -179.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -81.49 -8.4 12.61 Favored 'Trans proline' 0 N--CA 1.495 1.6 0 C-N-CA 122.017 1.812 . . . . 0.0 111.712 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.8 mt -64.93 -41.23 95.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.562 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -58.85 -64.51 2.84 Favored Pre-proline 0 CA--C 1.547 0.856 0 CA-C-O 118.171 -0.918 . . . . 0.0 112.755 -178.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -58.4 144.74 96.05 Favored 'Trans proline' 0 N--CA 1.502 1.975 0 CA-C-N 121.784 1.673 . . . . 0.0 112.9 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -70.05 145.53 51.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.324 -0.853 . . . . 0.0 110.518 -178.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -68.97 152.9 52.67 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.83 161.2 52.97 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -74.67 -51.56 14.04 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -60.55 -49.27 78.23 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.36 -178.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 2.5 mp -104.06 124.77 58.67 Favored 'Isoleucine or valine' 0 C--N 1.351 0.661 0 O-C-N 124.038 0.836 . . . . 0.0 110.021 -178.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 3.7 t -78.87 147.79 33.02 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 114.668 -1.151 . . . . 0.0 108.718 178.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.93 -11.01 60.42 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.6 mt -118.0 -76.02 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 O-C-N 124.525 1.141 . . . . 0.0 111.579 -177.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -67.86 -29.86 69.09 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.699 -176.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 90.64 -19.52 44.17 Favored Glycine 0 CA--C 1.523 0.539 0 O-C-N 124.508 1.13 . . . . 0.0 111.924 -179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -145.51 16.88 1.48 Allowed 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 116.337 1.977 . . . . 0.0 116.337 -175.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -91.21 -33.17 15.5 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-N 119.293 0.951 . . . . 0.0 112.615 178.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.31 -30.38 50.88 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 123.418 0.449 . . . . 0.0 110.485 -177.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -70.74 -36.78 73.31 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.346 178.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -117.13 -134.83 0.34 Allowed 'General case' 0 N--CA 1.484 1.235 0 O-C-N 124.357 1.035 . . . . 0.0 111.461 -178.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 80.8 m-85 -72.95 176.78 5.4 Favored 'General case' 0 C--N 1.348 0.5 0 CA-C-O 119.146 -0.454 . . . . 0.0 110.324 -179.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -127.28 42.13 3.38 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 124.185 0.928 . . . . 0.0 110.552 -178.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 83.6 m-70 -84.12 -34.34 24.12 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.952 -0.567 . . . . 0.0 112.255 179.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.1 p -81.67 -4.24 55.69 Favored 'General case' 0 N--CA 1.466 0.359 0 O-C-N 123.405 0.441 . . . . 0.0 110.84 -178.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -67.23 -11.3 57.06 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.715 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 39.2 mmm -69.84 156.03 39.66 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.719 -0.475 . . . . 0.0 109.719 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 57.4 m-20 -73.62 88.25 1.68 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.126 0.488 . . . . 0.0 110.59 -179.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.2 mt -75.66 142.28 42.58 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.863 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.6 p -64.98 -44.91 87.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.86 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -81.12 133.17 35.42 Favored 'General case' 0 N--CA 1.466 0.354 0 O-C-N 123.521 0.513 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 11.7 p -65.56 -50.6 64.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.519 179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -89.85 109.53 20.53 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 124.151 0.907 . . . . 0.0 110.535 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 65.1 ttt-85 -64.78 -45.27 87.06 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 -158.75 170.35 22.34 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.609 0.568 . . . . 0.0 110.592 -179.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -72.6 131.45 42.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.536 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -70.84 135.85 48.34 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.139 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -72.81 153.21 41.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.764 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 3.0 m -69.37 165.87 19.85 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.738 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -64.11 91.69 0.07 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.364 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.3 m -62.54 -40.63 97.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.748 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -149.06 153.41 37.79 Favored 'General case' 0 N--CA 1.471 0.62 0 O-C-N 123.981 0.801 . . . . 0.0 110.499 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -94.75 -2.23 51.42 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 124.345 1.028 . . . . 0.0 109.939 179.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -61.35 -36.46 80.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.144 -179.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 11.1 t -99.88 150.5 22.32 Favored 'General case' 0 N--CA 1.469 0.503 0 O-C-N 124.122 0.889 . . . . 0.0 110.32 179.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.9 m -63.91 1.5 0.65 Allowed 'General case' 0 CA--C 1.547 0.831 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.5 t70 72.6 -9.36 1.08 Allowed 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.457 1.103 . . . . 0.0 112.659 178.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 86.1 mt -65.79 -51.41 59.26 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 5.1 t -93.24 130.59 38.9 Favored 'General case' 0 C--N 1.343 0.309 0 O-C-N 124.095 0.872 . . . . 0.0 109.041 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -76.7 -37.08 56.73 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 113.809 1.04 . . . . 0.0 113.809 -177.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -76.59 -23.5 53.47 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -177.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.6 m -67.14 -19.48 65.61 Favored 'General case' 0 C--N 1.322 -0.598 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.908 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -59.19 -36.98 76.29 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.296 -178.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 99.2 m-85 -94.86 -50.37 5.16 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 124.027 0.829 . . . . 0.0 111.755 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -140.72 112.6 7.65 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 124.127 0.892 . . . . 0.0 111.107 -178.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -48.59 142.8 5.61 Favored 'General case' 0 N--CA 1.478 0.939 0 O-C-N 123.977 0.798 . . . . 0.0 112.654 -179.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -124.44 20.65 8.74 Favored 'General case' 0 N--CA 1.477 0.882 0 O-C-N 124.92 1.388 . . . . 0.0 110.465 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 14.1 mt -64.77 5.79 0.28 Allowed 'General case' 0 CA--C 1.55 0.964 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -178.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.03 -41.31 97.46 Favored 'General case' 0 N--CA 1.453 -0.279 0 O-C-N 121.453 -0.78 . . . . 0.0 110.562 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 pt -70.38 -69.79 0.28 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 O-C-N 123.608 0.568 . . . . 0.0 111.704 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -72.09 116.99 13.16 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 118.123 0.42 . . . . 0.0 110.635 178.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -80.07 135.61 36.38 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.617 179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 87.1 mt-30 -72.78 129.93 39.32 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.142 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 46.0 m80 -73.32 141.7 47.12 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.644 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -65.82 -40.46 91.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.463 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -65.93 -40.95 91.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.512 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 62.82 -132.39 43.62 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -68.21 151.24 51.7 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.084 -0.807 . . . . 0.0 111.084 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 37.4 t -66.8 145.0 55.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 0.0 110.562 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 46.0 mtp -64.02 -40.69 96.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.315 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -174.65 175.23 46.88 Favored Glycine 0 CA--C 1.523 0.572 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 53.1 mtt -64.42 -40.15 95.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.701 0.286 . . . . 0.0 110.317 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 24.4 p -73.12 163.78 27.65 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.698 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -168.46 169.54 41.66 Favored Glycine 0 CA--C 1.526 0.746 0 N-CA-C 110.859 -0.897 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.8 m -160.52 159.48 30.77 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.891 0.377 . . . . 0.0 110.492 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.81 -35.78 92.46 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.8 p -74.33 164.72 26.26 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.752 0.31 . . . . 0.0 110.41 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 73.36 -174.92 46.88 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.966 -1.016 . . . . 0.0 110.522 -179.888 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.1 mmm . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.77 22.58 78.96 Favored Glycine 0 C--N 1.33 0.249 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -157.03 169.07 11.23 Favored Pre-proline 0 CA--C 1.545 0.785 0 CA-C-O 119.081 -0.485 . . . . 0.0 110.823 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -59.71 146.47 95.37 Favored 'Trans proline' 0 N--CA 1.498 1.788 0 C-N-CA 121.328 1.352 . . . . 0.0 112.036 179.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.31 155.3 70.25 Favored Pre-proline 0 CA--C 1.55 0.945 0 O-C-N 124.565 1.166 . . . . 0.0 109.859 -179.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo -50.91 -38.09 57.38 Favored 'Trans proline' 0 N--CA 1.503 2.084 0 C-N-CA 122.196 1.931 . . . . 0.0 112.65 178.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -60.86 117.14 22.6 Favored Pre-proline 0 CA--C 1.557 1.235 0 CA-C-O 117.785 -1.103 . . . . 0.0 109.842 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 85.2 Cg_endo -78.44 8.1 3.8 Favored 'Trans proline' 0 N--CA 1.5 1.905 0 CA-C-N 122.242 1.836 . . . . 0.0 112.79 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -147.33 73.33 11.88 Favored Pre-proline 0 N--CA 1.475 0.793 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.782 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -56.62 -33.24 92.8 Favored 'Trans proline' 0 N--CA 1.502 1.999 0 C-N-CA 122.011 1.807 . . . . 0.0 112.267 179.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 87.7 mt -72.18 -37.57 69.29 Favored 'General case' 0 CA--C 1.512 -0.517 0 CA-C-O 118.571 -0.728 . . . . 0.0 110.89 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 26.62 68.73 0.47 Allowed Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 125.601 1.813 . . . . 0.0 112.161 -179.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -57.61 144.57 92.29 Favored 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 120.905 1.07 . . . . 0.0 112.463 -178.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.73 -39.04 93.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.963 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.85 -134.32 37.61 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.69 143.35 36.62 Favored Glycine 0 C--N 1.331 0.294 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -69.96 -50.66 39.65 Favored 'General case' 0 C--O 1.216 -0.664 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -50.11 -30.8 11.81 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 114.117 1.155 . . . . 0.0 114.117 -177.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.4 mt -110.0 118.36 56.78 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 O-C-N 124.666 1.229 . . . . 0.0 109.775 -179.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.2 t -74.22 149.2 40.97 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 178.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.94 -14.72 59.83 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 111.282 0.105 . . . . 0.0 111.282 -178.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.9 mt -113.75 -77.47 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 124.935 1.397 . . . . 0.0 110.586 -178.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.8 m -65.41 -8.92 21.14 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -176.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.26 -19.54 5.53 Favored Glycine 0 CA--C 1.522 0.524 0 CA-C-O 118.192 -1.338 . . . . 0.0 113.348 179.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 45.9 p-10 -164.43 19.03 0.06 Allowed 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 119.75 1.775 . . . . 0.0 115.205 -178.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -91.08 -4.1 56.59 Favored 'General case' 0 N--CA 1.502 2.139 0 CA-C-N 119.607 1.094 . . . . 0.0 112.026 178.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.89 60.0 3.96 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 108.284 -1.006 . . . . 0.0 108.284 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -153.5 -31.91 0.12 Allowed 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.911 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -136.4 -94.13 0.24 Allowed 'General case' 0 N--CA 1.472 0.655 0 O-C-N 124.226 0.954 . . . . 0.0 112.489 -178.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -88.18 166.67 14.21 Favored 'General case' 0 CA--C 1.513 -0.448 0 O-C-N 123.591 0.557 . . . . 0.0 110.479 -178.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -133.82 40.66 3.08 Favored 'General case' 0 N--CA 1.47 0.567 0 O-C-N 124.79 1.306 . . . . 0.0 109.049 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -80.83 -36.42 31.58 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.822 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 20.0 p -79.43 -10.58 59.83 Favored 'General case' 0 C--N 1.33 -0.262 0 O-C-N 123.622 0.576 . . . . 0.0 111.004 -178.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -64.38 -33.71 76.48 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.304 -179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 31.0 mmm -64.77 -41.57 95.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.549 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -157.73 151.49 24.02 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 123.629 0.58 . . . . 0.0 110.773 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 72.9 mt -72.82 146.05 46.56 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.507 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.3 p -137.5 169.22 18.16 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 124.629 1.205 . . . . 0.0 110.256 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -71.53 133.11 45.58 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.229 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 54.2 m -76.42 131.95 39.39 Favored 'General case' 0 CA--C 1.533 0.31 0 O-C-N 123.579 0.549 . . . . 0.0 110.336 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -84.3 96.23 8.96 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.79 0.681 . . . . 0.0 110.543 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -72.79 144.1 47.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.884 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -72.86 107.64 5.38 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.294 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -60.8 -47.36 86.71 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.911 -179.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -130.37 140.85 50.59 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 124.602 1.188 . . . . 0.0 110.013 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -80.6 97.18 7.09 Favored 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.953 0.783 . . . . 0.0 110.38 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.3 m -70.29 -53.25 17.62 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.835 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -131.98 165.53 23.72 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 124.421 1.076 . . . . 0.0 110.251 -179.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.2 t -161.28 85.24 0.66 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.452 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -63.3 -48.15 79.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.343 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -178.28 -20.53 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.072 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 97.7 mttt 48.56 70.51 0.45 Allowed 'General case' 0 C--N 1.349 0.558 0 O-C-N 124.181 0.926 . . . . 0.0 110.162 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 95.8 m -71.69 -55.72 7.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.973 -178.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 34.7 p -114.05 79.89 1.31 Allowed 'General case' 0 CA--C 1.512 -0.509 0 O-C-N 124.673 1.233 . . . . 0.0 110.429 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -55.0 -17.88 4.34 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.1 -0.954 . . . . 0.0 111.819 179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 45.1 mt -63.59 -43.71 96.16 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 178.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 4.2 t -93.84 117.63 30.36 Favored 'General case' 0 C--N 1.349 0.58 0 O-C-N 124.058 0.849 . . . . 0.0 108.89 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -64.91 -37.32 87.26 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -176.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -77.29 -26.94 52.82 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -178.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.19 -25.08 63.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.931 0.396 . . . . 0.0 111.297 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -61.41 -34.6 75.63 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.354 -178.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -97.34 -50.17 4.65 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 124.022 0.826 . . . . 0.0 111.978 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -136.14 117.81 14.98 Favored 'General case' 0 N--CA 1.479 0.991 0 O-C-N 124.285 0.99 . . . . 0.0 110.531 -178.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.2 mmtt -57.96 137.31 56.88 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.718 0.636 . . . . 0.0 111.112 -179.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -123.79 16.43 9.44 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 125.285 1.615 . . . . 0.0 110.827 -179.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 13.4 mt -58.21 0.24 0.07 Allowed 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 -177.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.76 -43.99 74.65 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 121.404 -0.81 . . . . 0.0 110.879 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.3 pt -64.14 -42.72 96.46 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 C-N-CA 120.643 -0.423 . . . . 0.0 112.082 -178.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -57.45 -46.67 83.34 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 117.588 0.176 . . . . 0.0 110.74 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 74.8 m80 -75.43 132.93 41.18 Favored 'General case' 0 N--CA 1.464 0.253 0 O-C-N 123.287 0.367 . . . . 0.0 110.436 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -74.0 127.2 32.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.422 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 81.0 m80 -74.24 132.74 42.42 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.586 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 91.8 m-70 -66.46 -42.07 88.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.773 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 73.1 m80 -65.16 -40.14 93.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.362 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.79 149.81 49.85 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -71.94 169.76 50.34 Favored Glycine 0 CA--C 1.527 0.787 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 78.1 p -61.62 -35.27 77.41 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.473 0.177 . . . . 0.0 110.818 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 65.7 mtt -73.33 143.84 46.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.449 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -71.33 147.51 42.57 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.147 -0.781 . . . . 0.0 111.147 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 34.0 mmm -65.11 -40.23 94.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.711 0.291 . . . . 0.0 110.608 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 77.9 p -66.8 -36.29 82.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.802 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.05 150.27 51.78 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 77.7 p -64.03 -35.92 82.31 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.736 0.303 . . . . 0.0 110.849 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.99 7.49 76.26 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 16.4 p -75.88 162.73 27.88 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.834 0.349 . . . . 0.0 110.46 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -63.45 -41.24 99.38 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 85.4 t80 . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.571 -179.892 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.5 mtp . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.36 21.77 79.22 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -162.31 70.31 2.2 Favored Pre-proline 0 CA--C 1.542 0.672 0 CA-C-O 119.61 -0.233 . . . . 0.0 110.662 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_exo -58.62 140.42 94.75 Favored 'Trans proline' 0 N--CA 1.497 1.699 0 C-N-CA 121.174 1.249 . . . . 0.0 112.935 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -80.3 -39.64 1.2 Allowed Pre-proline 0 CA--C 1.552 1.029 0 CA-C-N 115.166 -0.925 . . . . 0.0 111.922 179.033 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -58.81 -33.47 98.51 Favored 'Trans proline' 0 N--CA 1.504 2.097 0 CA-C-N 121.491 1.568 . . . . 0.0 112.729 -179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -155.22 84.51 3.61 Favored Pre-proline 0 CA--C 1.549 0.938 0 O-C-N 124.241 0.963 . . . . 0.0 110.767 -178.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -60.54 -165.22 0.04 OUTLIER 'Trans proline' 0 N--CA 1.501 1.935 0 CA-C-N 121.27 1.489 . . . . 0.0 113.175 178.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.35 163.16 69.56 Favored Pre-proline 0 CA--C 1.547 0.858 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.367 -179.382 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_endo -76.24 -1.74 11.82 Favored 'Trans proline' 0 N--CA 1.502 2.014 0 C-N-CA 121.54 1.493 . . . . 0.0 112.541 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.4 mt -69.72 -43.07 73.11 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.832 179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -56.62 -61.46 6.77 Favored Pre-proline 0 CA--C 1.546 0.823 0 CA-C-O 118.055 -0.974 . . . . 0.0 112.169 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -57.47 143.95 93.1 Favored 'Trans proline' 0 N--CA 1.502 2.028 0 CA-C-N 121.747 1.659 . . . . 0.0 112.845 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -71.73 143.68 49.54 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.301 -179.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -73.59 -130.56 0.17 Allowed Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.125 -0.79 . . . . 0.0 111.125 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.16 20.36 79.92 Favored Glycine 0 N--CA 1.461 0.333 0 N-CA-C 110.892 -0.883 . . . . 0.0 110.892 -179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -66.36 -51.2 59.57 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -49.78 -23.64 1.95 Allowed 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.569 0.952 . . . . 0.0 113.569 -178.122 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.1 mt -109.36 115.56 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 O-C-N 124.191 0.932 . . . . 0.0 109.594 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 35.0 t -74.53 151.61 39.46 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 178.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.94 -15.32 59.7 Favored 'General case' 0 C--O 1.234 0.278 0 O-C-N 122.553 -0.092 . . . . 0.0 111.14 -178.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.6 mt -114.83 -78.39 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 O-C-N 124.812 1.32 . . . . 0.0 110.289 -178.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.9 m -63.08 -10.43 14.41 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -176.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.05 -17.64 7.1 Favored Glycine 0 CA--C 1.524 0.654 0 CA-C-O 118.342 -1.255 . . . . 0.0 113.229 179.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -166.22 17.49 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.639 0 N-CA-C 115.459 1.652 . . . . 0.0 115.459 -179.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -95.0 9.4 39.57 Favored 'General case' 0 N--CA 1.501 2.103 0 CA-C-N 119.168 0.895 . . . . 0.0 112.193 178.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.48 66.54 9.73 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.696 -0.683 . . . . 0.0 109.17 179.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -139.67 -40.09 0.46 Allowed 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.927 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -162.34 -64.71 0.05 OUTLIER 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -80.57 141.73 34.8 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.036 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -126.01 42.43 3.3 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 124.586 1.179 . . . . 0.0 109.168 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 20.1 m-70 -79.97 -36.0 36.72 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.892 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.4 p -80.04 -12.44 59.69 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.873 -178.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -65.25 -33.42 75.95 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.259 -179.13 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 57.7 mtp -72.15 132.14 43.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.239 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -85.04 92.46 8.36 Favored 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.865 0.728 . . . . 0.0 110.695 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.9 mt -76.24 149.14 37.23 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.592 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.2 p -63.88 -43.58 95.61 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.717 -179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -74.17 138.87 44.08 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.264 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 1.3 m -63.63 127.29 30.7 Favored 'General case' 0 CA--C 1.529 0.148 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.205 -179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -80.94 117.17 21.34 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.771 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -70.07 143.22 52.52 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -63.76 139.79 58.8 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.237 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -73.33 139.11 45.81 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.367 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -153.17 136.93 16.1 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 123.877 0.736 . . . . 0.0 109.649 179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -152.33 137.91 17.78 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 124.04 0.837 . . . . 0.0 109.985 179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 94.9 m -64.79 -36.67 85.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.692 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -62.29 142.28 57.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.991 -179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.2 p -161.51 162.93 30.53 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.647 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -157.7 136.09 11.14 Favored 'General case' 0 N--CA 1.463 0.216 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 2.0 m80 30.39 83.59 0.01 OUTLIER 'General case' 0 N--CA 1.484 1.238 0 O-C-N 125.451 1.72 . . . . 0.0 112.159 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -75.08 67.54 1.77 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.058 0.456 . . . . 0.0 110.636 -178.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 94.2 m -79.18 -73.07 0.36 Allowed 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.261 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.9 m -97.42 82.15 3.08 Favored 'General case' 0 C--N 1.347 0.496 0 O-C-N 123.81 0.694 . . . . 0.0 110.147 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 29.6 m-20 -59.49 -22.3 61.37 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.75 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 25.9 mt -63.22 -47.29 83.11 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 179.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 10.7 t -93.63 114.05 26.29 Favored 'General case' 0 C--N 1.349 0.547 0 O-C-N 124.063 0.852 . . . . 0.0 108.711 178.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -67.11 -37.26 83.59 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -177.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.61 -29.1 64.29 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -177.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -59.64 -26.35 65.44 Favored 'General case' 0 C--O 1.222 -0.382 0 CA-C-O 120.908 0.385 . . . . 0.0 110.935 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -61.3 -42.05 98.01 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.56 -178.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 96.7 m-85 -87.03 -52.08 5.64 Favored 'General case' 0 N--CA 1.468 0.427 0 O-C-N 123.709 0.631 . . . . 0.0 112.048 -178.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -134.99 119.56 18.11 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 124.456 1.098 . . . . 0.0 109.871 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 55.9 mmtt -58.65 134.63 56.95 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 123.626 0.579 . . . . 0.0 110.833 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -117.86 8.63 12.68 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 124.977 1.423 . . . . 0.0 110.632 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.9 mt -56.46 -1.11 0.05 OUTLIER 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -177.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.89 -43.04 94.19 Favored 'General case' 0 C--N 1.33 -0.256 0 O-C-N 121.404 -0.81 . . . . 0.0 110.728 179.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.1 pt -63.27 -73.0 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 120.429 -0.508 . . . . 0.0 111.731 -178.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 73.3 t60 -75.93 114.66 14.81 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 117.987 0.358 . . . . 0.0 110.914 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -79.09 130.24 35.3 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.24 179.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -73.59 126.98 31.49 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.362 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -73.35 142.39 47.06 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.673 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -64.75 -42.91 94.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.412 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -73.13 136.44 44.84 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.801 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.23 165.99 52.93 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -63.88 -39.41 97.33 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 19.3 m -72.09 147.26 46.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.682 0.277 . . . . 0.0 110.665 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 16.7 ttp -64.76 -40.75 95.8 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.874 0.369 . . . . 0.0 110.111 179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -66.48 159.78 47.61 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 52.8 mtt -63.54 -40.39 96.88 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 84.8 p -160.64 164.91 31.44 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.526 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -66.69 150.16 51.76 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 78.2 p -63.2 -39.19 93.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.796 0.332 . . . . 0.0 110.794 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.48 143.73 47.45 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.814 -0.914 . . . . 0.0 110.814 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.9 p -73.54 164.51 26.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.743 0.306 . . . . 0.0 110.34 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 71.06 24.95 76.58 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 118.15 -0.929 . . . . 0.0 110.777 -179.897 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.6 mtp . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 72.24 23.87 77.29 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -161.87 70.88 2.38 Favored Pre-proline 0 CA--C 1.543 0.679 0 CA-C-O 119.505 -0.283 . . . . 0.0 111.098 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -61.16 151.1 81.12 Favored 'Trans proline' 0 N--CA 1.499 1.841 0 C-N-CA 121.259 1.306 . . . . 0.0 112.072 179.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.3 t -141.03 71.47 28.33 Favored Pre-proline 0 CA--C 1.555 1.161 0 O-C-N 124.245 0.965 . . . . 0.0 109.651 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -56.31 -42.79 62.31 Favored 'Trans proline' 0 N--CA 1.502 1.974 0 C-N-CA 121.585 1.523 . . . . 0.0 112.687 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -73.75 151.15 88.91 Favored Pre-proline 0 CA--C 1.548 0.898 0 CA-C-O 118.236 -0.888 . . . . 0.0 109.761 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.76 -2.82 12.99 Favored 'Trans proline' 0 N--CA 1.499 1.851 0 CA-C-N 121.611 1.611 . . . . 0.0 112.598 179.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 48.72 74.03 0.89 Allowed Pre-proline 0 CA--C 1.546 0.799 0 O-C-N 124.278 0.986 . . . . 0.0 111.297 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_exo -56.74 -34.08 95.46 Favored 'Trans proline' 0 N--CA 1.5 1.906 0 C-N-CA 121.805 1.67 . . . . 0.0 111.882 -179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 32.1 mt -68.11 -41.86 81.14 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.863 -179.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 29.97 70.44 0.59 Allowed Pre-proline 0 N--CA 1.494 1.756 0 O-C-N 125.085 1.491 . . . . 0.0 112.673 -179.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 26.4 Cg_exo -57.56 142.47 95.53 Favored 'Trans proline' 0 N--CA 1.498 1.747 0 C-N-CA 121.319 1.346 . . . . 0.0 112.55 -179.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -63.46 -38.72 92.21 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.739 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.83 -129.15 43.88 Favored Glycine 0 CA--C 1.521 0.433 0 N-CA-C 110.355 -1.098 . . . . 0.0 110.355 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -172.7 4.93 0.03 OUTLIER Glycine 0 CA--C 1.517 0.212 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.4 mptt 51.33 79.44 0.1 Allowed 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.481 0.658 . . . . 0.0 110.673 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -45.78 -26.15 0.61 Allowed 'General case' 0 N--CA 1.485 1.293 0 CA-C-N 114.234 -1.348 . . . . 0.0 112.64 -178.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 24.8 mt -104.88 112.6 39.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 37.4 t -71.5 151.65 43.72 Favored 'General case' 0 CA--C 1.533 0.307 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.42 -15.1 59.52 Favored 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 111.236 0.087 . . . . 0.0 111.236 -179.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.4 mt -114.48 -78.39 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 O-C-N 124.748 1.28 . . . . 0.0 110.015 -178.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.9 m -63.09 -7.91 6.58 Favored 'General case' 0 N--CA 1.464 0.236 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 -177.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.45 -18.92 4.14 Favored Glycine 0 N--CA 1.445 -0.761 0 CA-C-O 118.078 -1.401 . . . . 0.0 112.93 179.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -166.2 17.91 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 116.142 1.904 . . . . 0.0 116.142 -178.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.491 HD22 ' N ' ' A' ' 26' ' ' ASN . 1.4 m-80 -94.02 11.18 30.63 Favored 'General case' 0 N--CA 1.501 2.113 0 CA-C-N 119.36 0.982 . . . . 0.0 111.973 178.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -88.9 65.24 7.52 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.951 0.881 . . . . 0.0 110.537 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -167.65 -17.57 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.098 -0.956 . . . . 0.0 112.028 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -145.49 -97.34 0.1 Allowed 'General case' 0 N--CA 1.472 0.638 0 O-C-N 123.888 0.743 . . . . 0.0 111.574 -178.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -81.59 157.61 24.67 Favored 'General case' 0 CA--C 1.515 -0.378 0 O-C-N 123.135 0.272 . . . . 0.0 110.605 -179.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -131.2 34.17 4.04 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 124.54 1.15 . . . . 0.0 109.169 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 71.6 m-70 -82.52 -28.85 30.8 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.393 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.1 p -78.85 -14.04 59.47 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.843 -179.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -64.01 -42.07 97.25 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.58 -0.448 . . . . 0.0 110.187 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 45.1 mtp -66.81 -42.68 85.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.794 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 60.6 m-20 -86.98 104.12 15.99 Favored 'General case' 0 N--CA 1.469 0.49 0 O-C-N 123.867 0.729 . . . . 0.0 110.74 -179.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 22.3 mt -75.06 145.37 42.4 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.412 179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.3 t -158.11 153.05 25.24 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.075 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -78.32 140.57 38.79 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.204 179.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 7.6 p -69.25 137.26 52.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.36 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -79.5 85.85 5.23 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.643 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -65.52 -42.11 92.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.36 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 57.9 m-20 -71.44 142.08 50.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.577 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 -72.19 139.73 48.37 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.858 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -130.79 151.03 51.67 Favored 'General case' 0 N--CA 1.475 0.82 0 O-C-N 124.329 1.018 . . . . 0.0 110.039 -179.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -68.92 117.98 11.27 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.879 -0.601 . . . . 0.0 110.739 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -163.67 165.81 22.91 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.39 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.81 152.46 27.07 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.01 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.2 p -161.82 164.51 28.76 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.193 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -146.92 146.59 30.19 Favored 'General case' 0 N--CA 1.461 0.114 0 O-C-N 124.104 0.878 . . . . 0.0 109.971 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -70.1 -28.56 65.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.675 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 35.3 mmtt -61.75 -48.26 81.52 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.945 -178.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 9.0 t -52.54 158.98 1.12 Allowed 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.3 0.482 . . . . 0.0 112.3 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.3 m -80.53 -4.02 52.34 Favored 'General case' 0 C--O 1.227 -0.105 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.557 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 t70 67.46 52.17 0.81 Allowed 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.963 0.887 . . . . 0.0 112.829 178.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 pp -160.64 -41.58 0.05 OUTLIER 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 114.777 -1.101 . . . . 0.0 110.069 177.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 9.3 t -93.6 114.87 27.3 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 124.223 0.952 . . . . 0.0 109.225 178.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -68.19 -34.85 77.05 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -177.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -75.24 -26.69 59.07 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -177.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.3 m -60.89 -27.3 68.05 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.882 0.372 . . . . 0.0 110.734 -179.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -58.11 -44.64 87.81 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-N 116.218 -0.446 . . . . 0.0 112.108 -178.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 83.4 m-85 -84.2 -51.0 7.38 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 123.723 0.639 . . . . 0.0 111.667 -178.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -134.39 113.06 11.49 Favored 'General case' 0 N--CA 1.471 0.581 0 O-C-N 124.459 1.1 . . . . 0.0 109.447 -178.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.2 mmtt -56.33 135.37 53.78 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.615 0.572 . . . . 0.0 111.585 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -113.67 15.94 18.71 Favored 'General case' 0 C--O 1.214 -0.804 0 O-C-N 125.243 1.589 . . . . 0.0 110.385 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.7 mt -55.46 -3.23 0.06 Allowed 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 -177.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.54 -48.08 78.97 Favored 'General case' 0 C--N 1.331 -0.234 0 O-C-N 121.414 -0.804 . . . . 0.0 110.555 179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.3 pt -60.26 -93.06 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.554 -178.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -66.85 124.25 22.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.662 0.267 . . . . 0.0 110.97 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 79.8 m80 -76.9 142.21 40.22 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.232 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -154.05 145.48 23.08 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 123.638 0.586 . . . . 0.0 109.573 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -74.2 136.84 42.79 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.527 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 84.9 m-70 -62.15 -43.82 97.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.809 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -71.12 141.66 50.78 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.436 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.85 -35.95 92.7 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -170.02 170.96 43.22 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.929 -0.868 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 86.5 p -71.63 159.21 34.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.662 0.268 . . . . 0.0 110.452 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 45.1 mtm -73.32 138.0 45.15 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.925 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 72.16 -172.35 47.31 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 44.0 mtm -73.42 144.33 46.39 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.8 t -61.0 -44.08 97.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -170.08 167.79 40.85 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 86.1 p -72.7 162.32 29.63 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.709 0.29 . . . . 0.0 110.603 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 73.79 170.24 20.81 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.5 p -76.51 164.93 25.48 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.625 0.25 . . . . 0.0 110.561 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 77.79 12.49 84.4 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 . . . . . 0 N--CA 1.469 0.523 0 CA-C-O 118.07 -0.967 . . . . 0.0 109.822 179.825 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.2 mmm . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -69.3 158.59 53.23 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 50.76 69.3 2.68 Favored Pre-proline 0 CA--C 1.546 0.791 0 C-N-CA 122.856 0.463 . . . . 0.0 111.771 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -59.09 149.37 80.41 Favored 'Trans proline' 0 N--CA 1.499 1.85 0 C-N-CA 121.393 1.396 . . . . 0.0 111.872 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.2 t -136.76 72.74 55.36 Favored Pre-proline 0 CA--C 1.562 1.429 0 O-C-N 124.182 0.926 . . . . 0.0 109.383 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 33.1 Cg_exo -55.23 -41.08 82.0 Favored 'Trans proline' 0 N--CA 1.505 2.161 0 C-N-CA 121.803 1.669 . . . . 0.0 112.95 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 10.8 t80 56.48 71.96 1.07 Allowed Pre-proline 0 CA--C 1.558 1.266 0 O-C-N 123.785 0.678 . . . . 0.0 110.745 179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -76.87 -179.98 5.93 Favored 'Trans proline' 0 N--CA 1.493 1.449 0 C-N-CA 121.192 1.261 . . . . 0.0 111.923 -178.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -76.19 159.54 80.04 Favored Pre-proline 0 CA--C 1.548 0.891 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.029 -178.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -68.33 -18.14 44.42 Favored 'Trans proline' 0 N--CA 1.502 1.973 0 C-N-CA 121.272 1.315 . . . . 0.0 112.468 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 28.2 mt -63.52 -38.32 90.67 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.318 -179.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 50.18 71.29 1.61 Allowed Pre-proline 0 CA--C 1.55 0.946 0 O-C-N 123.926 0.766 . . . . 0.0 111.254 179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -58.68 143.75 98.4 Favored 'Trans proline' 0 N--CA 1.5 1.872 0 C-N-CA 121.412 1.408 . . . . 0.0 112.358 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 92.1 mtt-85 -65.03 -38.01 89.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.378 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 72.1 -178.15 37.79 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.55 138.63 32.26 Favored Glycine 0 C--O 1.234 0.13 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.3 mmtt -67.67 -50.43 57.78 Favored 'General case' 0 C--O 1.215 -0.75 0 N-CA-C 108.464 -0.939 . . . . 0.0 108.464 179.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -47.49 -21.67 0.36 Allowed 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 -179.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 50.1 mm -108.42 111.74 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 O-C-N 123.615 0.572 . . . . 0.0 109.706 179.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 17.9 t -74.27 152.61 39.65 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 178.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.38 -15.94 59.83 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.864 -0.153 . . . . 0.0 111.171 -178.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 23.0 mt -116.34 -78.65 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 O-C-N 124.784 1.303 . . . . 0.0 110.719 -177.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.6 m -64.3 -12.33 40.62 Favored 'General case' 0 N--CA 1.467 0.379 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 -176.248 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.97 -13.43 14.02 Favored Glycine 0 CA--C 1.535 1.319 0 CA-C-O 118.227 -1.319 . . . . 0.0 113.466 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -164.38 18.83 0.06 Allowed 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -94.81 0.46 54.9 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-N 118.919 0.781 . . . . 0.0 111.474 177.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -80.71 55.21 2.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.816 0.817 . . . . 0.0 109.308 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -164.72 -7.28 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.194 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 48.4 t0 -154.07 -125.6 0.03 OUTLIER 'General case' 0 CA--C 1.551 0.995 0 O-C-N 123.249 0.343 . . . . 0.0 110.989 -178.034 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -72.25 142.22 48.94 Favored 'General case' 0 CA--C 1.518 -0.252 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -109.7 46.61 1.0 Allowed 'General case' 0 N--CA 1.467 0.385 0 O-C-N 124.783 1.302 . . . . 0.0 109.647 -179.003 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.9 m80 -81.03 -37.37 29.21 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.355 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 17.0 p -79.5 -11.71 59.89 Favored 'General case' 0 C--N 1.332 -0.187 0 O-C-N 123.659 0.599 . . . . 0.0 110.726 -178.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -64.34 -36.33 83.79 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.233 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 34.8 mmm -66.81 -40.29 88.0 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.523 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -84.01 114.0 21.4 Favored 'General case' 0 N--CA 1.464 0.257 0 O-C-N 123.857 0.723 . . . . 0.0 110.935 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.4 mt -74.56 155.36 37.98 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 25.1 p -134.24 153.13 52.04 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 124.38 1.05 . . . . 0.0 110.34 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -62.94 -41.76 99.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.181 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.6 p -136.01 155.87 49.59 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 124.221 0.951 . . . . 0.0 109.926 -179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -84.87 18.23 2.52 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-N 115.392 -0.822 . . . . 0.0 111.277 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 91.9 mtm180 -125.65 141.28 52.1 Favored 'General case' 0 N--CA 1.474 0.73 0 O-C-N 124.23 0.956 . . . . 0.0 109.618 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -69.95 147.02 50.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.316 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -60.64 -44.59 96.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.445 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -154.51 125.57 7.24 Favored 'General case' 0 N--CA 1.466 0.361 0 O-C-N 123.708 0.63 . . . . 0.0 109.9 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 78.6 m-20 -90.23 92.46 8.94 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 123.881 0.738 . . . . 0.0 110.122 179.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 82.9 m -66.52 -54.84 19.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.936 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -81.18 145.82 30.81 Favored 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.662 0.601 . . . . 0.0 109.984 179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 34.9 p -164.04 157.81 18.76 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.71 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -150.65 147.92 27.98 Favored 'General case' 0 C--N 1.344 0.357 0 O-C-N 123.851 0.719 . . . . 0.0 110.353 179.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' HIS . . . . . . . . . . . . . 7.2 m80 -66.34 -32.93 74.63 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.978 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -65.36 -47.52 76.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.265 -178.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 3.5 t -46.9 154.82 0.3 Allowed 'General case' 0 C--N 1.343 0.292 0 O-C-N 123.879 0.737 . . . . 0.0 112.71 -179.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.5 p -74.16 -6.38 47.41 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.518 -0.765 . . . . 0.0 111.096 -179.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t0 68.22 47.04 1.04 Allowed 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.445 178.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 pp -163.69 -40.72 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.063 177.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.1 t -92.46 118.31 30.83 Favored 'General case' 0 C--N 1.341 0.215 0 O-C-N 124.217 0.948 . . . . 0.0 109.699 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.9 pt20 -69.03 -37.43 78.6 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 113.266 0.839 . . . . 0.0 113.266 -177.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -72.79 -27.59 62.08 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 1.5 m -62.53 -20.69 64.9 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 120.9 0.381 . . . . 0.0 111.008 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -59.89 -43.59 94.69 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.644 -177.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 98.4 m-85 -90.65 -49.81 6.27 Favored 'General case' 0 N--CA 1.471 0.595 0 O-C-N 123.787 0.679 . . . . 0.0 112.253 -178.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -133.67 115.5 14.69 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 124.461 1.101 . . . . 0.0 110.24 -178.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -57.19 134.25 55.74 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 123.678 0.612 . . . . 0.0 111.338 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -114.3 13.04 17.76 Favored 'General case' 0 C--O 1.217 -0.65 0 O-C-N 125.078 1.486 . . . . 0.0 110.607 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.2 mt -56.1 -1.86 0.05 Allowed 'General case' 0 N--CA 1.482 1.155 0 N-CA-C 114.788 1.403 . . . . 0.0 114.788 -177.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.63 -43.46 96.76 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 121.45 -0.781 . . . . 0.0 110.626 179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -59.44 -74.89 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 120.697 -0.401 . . . . 0.0 111.875 -178.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -57.16 128.8 38.82 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.887 0.375 . . . . 0.0 111.287 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -66.04 -45.44 81.4 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.166 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -71.68 128.87 37.2 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.37 -179.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -66.35 -37.62 85.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.867 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' HIS . . . . . . . . . . . . . 49.8 m-70 -153.44 146.73 24.78 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.615 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -71.07 138.01 49.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.239 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.75 162.45 50.73 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -64.26 -37.19 94.18 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 94.5 p -72.48 160.85 31.63 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.895 0.379 . . . . 0.0 110.721 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 32.5 mmm -64.69 -39.17 93.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.151 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -174.02 175.15 46.54 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . . . . . . . . . 48.2 mtp -64.18 -39.85 94.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.712 0.291 . . . . 0.0 110.25 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 15.7 p -73.89 164.73 26.25 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.771 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -70.05 162.57 52.77 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.3 p -161.96 161.35 28.58 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.82 0.343 . . . . 0.0 110.415 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 70.21 23.85 77.01 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 18.3 p -65.73 -32.92 74.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.757 0.313 . . . . 0.0 110.499 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -62.97 -49.45 72.11 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 96.1 m-85 . . . . . 0 C--O 1.221 -0.408 0 CA-C-O 117.887 -1.054 . . . . 0.0 110.5 179.746 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_