data_2f8b_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 2f8b _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 ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 . . . . . 0 N--CA 1.449 -0.512 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.52 90.77 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 125.789 1.636 . . . . 0.0 111.216 178.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.0 m170 -121.51 162.8 19.9 Favored 'General case' 0 C--O 1.227 -0.119 0 C-N-CA 124.602 1.161 . . . . 0.0 109.112 -175.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -136.68 94.18 2.96 Favored 'General case' 0 N--CA 1.453 -0.325 0 O-C-N 122.15 -0.344 . . . . 0.0 110.664 -158.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.8 mt -83.79 95.51 3.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 105.39 -2.078 . . . . 0.0 105.39 171.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.79 100.0 3.91 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 173.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.3 t -112.91 -167.71 1.22 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.641 1.576 . . . . 0.0 109.588 -173.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.3 m -127.45 155.79 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.276 1.03 . . . . 0.0 109.284 171.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.4 t -83.62 131.33 34.97 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 124.889 1.276 . . . . 0.0 109.666 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.9 t -70.1 -29.97 67.06 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -171.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.44 -19.92 20.8 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-N 119.13 0.877 . . . . 0.0 111.88 -173.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.9 p -130.32 -0.89 4.52 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -173.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.6 t0 50.29 25.97 2.05 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.848 2.059 . . . . 0.0 113.021 -177.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.03 146.59 24.14 Favored Glycine 0 C--N 1.34 0.798 0 N-CA-C 108.343 -1.903 . . . . 0.0 108.343 178.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.43 135.11 54.81 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 107.621 -1.252 . . . . 0.0 107.621 176.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.7 mt -126.53 123.49 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 172.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.5 104.99 4.66 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 160.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.9 mt -89.23 87.14 7.03 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 172.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 92.8 m -71.11 103.63 2.81 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 119.136 -1.026 . . . . 0.0 108.358 164.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.7 m -112.71 124.84 69.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 N-CA-C 104.074 -2.565 . . . . 0.0 104.074 175.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -91.87 84.48 5.38 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 103.518 -2.771 . . . . 0.0 103.518 -169.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.9 m -147.98 129.95 15.33 Favored 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 124.215 1.006 . . . . 0.0 110.488 -158.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.6 m -58.5 144.89 40.88 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-O 118.471 -0.776 . . . . 0.0 109.017 -175.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.48 -38.61 44.91 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -163.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -96.33 -15.02 22.13 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -175.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -71.28 -40.23 71.05 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 162.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 tt -58.95 -46.9 86.9 Favored 'General case' 0 C--O 1.223 -0.298 0 C-N-CA 124.638 1.175 . . . . 0.0 109.432 171.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -56.24 -51.95 66.25 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.818 1.247 . . . . 0.0 108.53 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 91.3 m -54.82 -53.95 48.58 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.838 1.255 . . . . 0.0 110.077 178.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.44 -28.41 69.65 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 121.677 -0.639 . . . . 0.0 111.072 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -73.07 -24.63 60.69 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 120.517 -1.364 . . . . 0.0 111.134 172.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -69.59 -36.49 76.28 Favored 'General case' 0 N--CA 1.454 -0.275 0 O-C-N 120.889 -1.132 . . . . 0.0 109.523 166.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.6 mt -62.19 -34.99 77.51 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 118.852 0.751 . . . . 0.0 111.106 171.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -60.37 -54.6 43.67 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 118.891 0.769 . . . . 0.0 109.93 169.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.0 mt -61.16 -27.3 68.3 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.735 0.814 . . . . 0.0 112.406 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.2 t -68.54 -68.34 0.4 Allowed 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 126.07 1.748 . . . . 0.0 110.072 170.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.2 p -147.38 -34.04 0.26 Allowed 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -170.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.2 tt -69.28 137.38 52.99 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 117.997 0.362 . . . . 0.0 111.377 -161.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.5 p -118.89 171.03 8.52 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.561 0.744 . . . . 0.0 109.051 159.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -113.38 153.28 28.81 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 173.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . 0.322 0.4 OUTLIER -135.37 107.35 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 N-CA-C 107.599 -1.259 . . . . 0.0 107.599 179.129 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 p -56.27 143.49 64.64 Favored Pre-proline 0 CA--C 1.535 0.394 0 C-N-CA 125.15 1.38 . . . . 0.0 110.672 -167.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -61.98 -26.73 78.92 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 121.615 1.543 . . . . 0.0 112.856 -172.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -56.94 -63.93 1.04 Allowed 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.735 0.814 . . . . 0.0 109.564 169.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.5 p -65.61 -31.32 72.29 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 118.875 -0.583 . . . . 0.0 110.798 -174.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.11 -37.38 83.8 Favored 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 123.604 0.565 . . . . 0.0 110.408 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 30.3 m -71.95 -41.35 67.89 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.108 0.963 . . . . 0.0 110.678 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 m120 . . . . . 0 N--CA 1.471 0.624 0 C-N-CA 122.924 0.489 . . . . 0.0 111.257 178.778 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo . . . . . 0 CA--C 1.535 0.525 0 CA-C-O 121.357 0.482 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -129.47 -52.51 1.17 Allowed 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 125.615 1.566 . . . . 0.0 110.092 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -62.25 93.47 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 120.331 1.423 . . . . 0.0 111.4 -172.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 42.9 m170 -126.87 175.58 7.93 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 125.296 1.438 . . . . 0.0 110.697 -166.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -143.81 98.27 3.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.233 1.013 . . . . 0.0 109.752 -160.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 55.6 mt -86.58 96.63 5.54 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.216 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 169.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 tt -66.06 108.28 2.18 Favored 'General case' 0 N--CA 1.448 -0.562 0 O-C-N 121.041 -1.037 . . . . 0.0 108.519 168.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.82 -166.81 1.33 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.874 1.269 . . . . 0.0 108.251 173.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 19.4 m -125.22 153.81 32.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 171.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . 0.402 ' SG ' ' SG ' ' B' ' 52' ' ' CYS . 21.8 t -71.14 132.14 44.61 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 171.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 49.6 t -54.2 -29.92 47.92 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.105 0.962 . . . . 0.0 112.934 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -127.43 -22.35 3.68 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -166.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.2 m -82.16 -16.77 48.67 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.242 164.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 27.9 t0 45.6 44.95 10.59 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 125.657 1.583 . . . . 0.0 110.737 -170.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.88 150.12 18.98 Favored Glycine 0 C--N 1.338 0.666 0 C-N-CA 124.919 1.247 . . . . 0.0 110.323 -171.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.73 113.92 2.5 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 127.581 2.352 . . . . 0.0 109.451 -176.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 9.6 mt -112.04 119.19 59.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 167.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -85.96 86.99 7.34 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 124.871 1.268 . . . . 0.0 108.621 173.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 60.8 mt -70.52 96.71 1.21 Allowed 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 -170.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 5.7 m -84.65 91.46 7.93 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 -176.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 5.0 m -119.36 135.11 60.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 105.303 -2.11 . . . . 0.0 105.303 -173.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -114.11 94.17 4.69 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 107.316 -1.364 . . . . 0.0 107.316 -160.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -160.8 160.56 31.33 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 21.1 m -53.72 147.05 12.25 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.828 0.851 . . . . 0.0 109.977 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.27 -38.88 55.2 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 -166.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -83.45 -21.74 32.81 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -175.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -73.5 -41.24 63.35 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.494 1.118 . . . . 0.0 108.982 170.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.93 -47.45 77.52 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.957 0.884 . . . . 0.0 109.969 168.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -62.94 -47.38 83.46 Favored 'General case' 0 CA--C 1.509 -0.625 0 C-N-CA 125.723 1.609 . . . . 0.0 108.83 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 85.8 m -54.65 -51.57 65.03 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 123.814 0.846 . . . . 0.0 109.273 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.34 -32.77 73.59 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.985 -0.447 . . . . 0.0 111.36 175.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -66.46 -29.93 70.16 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 120.596 -1.315 . . . . 0.0 110.761 173.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -69.82 -35.81 75.11 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 119.385 0.993 . . . . 0.0 109.421 174.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 24.6 mt -56.12 -46.63 79.08 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 118.519 0.599 . . . . 0.0 110.777 168.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -61.44 -45.55 93.83 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 122.162 -0.336 . . . . 0.0 111.125 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 35.3 mt -64.55 -26.7 68.53 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.666 0.787 . . . . 0.0 112.213 176.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 10.7 t -72.58 -61.67 1.72 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 119.06 0.846 . . . . 0.0 109.889 174.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 38.8 p -151.06 -28.57 0.2 Allowed 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 -167.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.72 149.86 34.51 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -159.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.36 168.79 16.38 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.162 1.385 . . . . 0.0 109.35 173.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -122.25 151.84 40.65 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 172.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . 0.259 2.8 t -138.22 94.93 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.219 0 N-CA-C 105.183 -2.155 . . . . 0.0 105.183 -170.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 4.0 p -57.97 150.83 47.91 Favored Pre-proline 0 CA--C 1.536 0.438 0 C-N-CA 124.845 1.258 . . . . 0.0 110.685 -170.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.84 -24.73 73.5 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 121.737 1.625 . . . . 0.0 114.106 -170.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 20.1 t90 -57.62 -67.97 0.28 Allowed 'General case' 0 C--O 1.236 0.376 0 C-N-CA 125.423 1.489 . . . . 0.0 110.542 171.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.402 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 26.1 p -65.06 -29.77 70.68 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 118.628 0.649 . . . . 0.0 111.441 177.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.27 -37.46 87.35 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 119.606 -0.838 . . . . 0.0 111.062 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 36.0 m -72.81 -52.02 16.58 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.89 1.676 . . . . 0.0 110.618 175.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -75.28 -26.74 59.01 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.729 0.641 . . . . 0.0 112.729 -171.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 . . . . . 0 C--O 1.253 1.244 0 C-N-CA 127.645 2.378 . . . . 0.0 110.624 -167.669 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 . . . . . 0 N--CA 1.449 -0.498 0 CA-C-O 118.054 -0.974 . . . . 0.0 109.841 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -63.37 91.75 0.05 Allowed 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 120.453 1.479 . . . . 0.0 111.067 -171.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.1 m170 -127.1 161.58 28.11 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 123.339 0.656 . . . . 0.0 110.849 -166.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -137.39 97.12 3.39 Favored 'General case' 0 C--N 1.339 0.123 0 C-N-CA 125.261 1.424 . . . . 0.0 109.08 -165.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.6 mt -89.75 101.01 11.74 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.26 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 176.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 tt -67.6 118.74 11.3 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 120.511 -1.368 . . . . 0.0 109.257 173.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.8 t -124.03 -173.4 2.75 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 125.963 1.705 . . . . 0.0 108.294 169.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.7 m -123.4 155.26 29.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 169.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.2 t -67.59 125.8 27.32 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.8 t -58.34 -22.99 55.34 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -174.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.443 ' HE2' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -121.79 -20.92 6.26 Favored 'General case' 0 C--N 1.343 0.289 0 N-CA-C 115.224 1.565 . . . . 0.0 115.224 -173.094 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.8 p -114.71 -0.45 13.57 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.936 1.244 . . . . 0.0 113.064 173.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.5 t0 54.23 25.0 5.37 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.373 1.869 . . . . 0.0 113.162 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.77 150.38 36.07 Favored Glycine 0 C--N 1.339 0.715 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -65.39 110.37 2.62 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 124.881 1.272 . . . . 0.0 108.626 176.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.6 mt -118.58 106.0 18.76 Favored 'Isoleucine or valine' 0 C--N 1.341 0.206 0 CA-C-O 122.609 1.195 . . . . 0.0 108.5 174.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -76.21 89.5 3.1 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.151 1.38 . . . . 0.0 108.654 170.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.5 mt -69.03 91.88 0.5 Allowed 'General case' 0 C--O 1.234 0.269 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 -172.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.9 m -86.95 108.8 18.98 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 105.503 -2.036 . . . . 0.0 105.503 -174.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.8 m -125.61 123.12 63.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 104.336 -2.468 . . . . 0.0 104.336 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -83.97 94.19 8.22 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 105.14 -2.17 . . . . 0.0 105.14 174.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.58 154.11 33.64 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 122.806 0.443 . . . . 0.0 111.303 177.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.2 m -53.78 147.23 12.15 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.223 1.409 . . . . 0.0 110.35 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.1 -43.42 82.21 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.777 -0.577 . . . . 0.0 112.543 -170.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.45 -30.96 66.64 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -68.33 -48.89 63.68 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 125.345 1.458 . . . . 0.0 108.383 176.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.76 -41.25 73.73 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 126.949 2.099 . . . . 0.0 111.896 171.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -69.57 -46.75 65.65 Favored 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 127.09 2.156 . . . . 0.0 108.542 -177.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.0 m -55.08 -50.59 68.78 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 174.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.42 -42.99 61.87 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.097 1.359 . . . . 0.0 111.462 169.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -66.64 -31.19 71.71 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 120.532 -1.355 . . . . 0.0 110.653 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -69.66 -35.43 75.16 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 118.734 0.697 . . . . 0.0 109.779 173.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.3 mt -57.36 -44.26 84.2 Favored 'General case' 0 C--N 1.344 0.34 0 CA-C-O 118.724 -0.655 . . . . 0.0 109.543 169.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -63.73 -41.72 98.01 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 119.178 0.899 . . . . 0.0 111.609 177.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.7 mt -64.85 -24.44 67.54 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.388 0.675 . . . . 0.0 112.285 174.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.6 t -88.68 -65.28 1.03 Allowed 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 126.041 1.737 . . . . 0.0 112.37 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.11 -18.21 0.4 Allowed 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 116.426 2.009 . . . . 0.0 116.426 -158.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.59 145.53 24.36 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.387 1.075 . . . . 0.0 113.265 -171.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.3 p -137.17 173.27 11.87 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.923 1.689 . . . . 0.0 109.505 167.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -128.03 158.31 38.28 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 122.253 1.025 . . . . 0.0 109.835 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.443 HG11 ' HE2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -149.05 109.03 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.127 0 C-N-CA 126.247 1.819 . . . . 0.0 107.588 -167.675 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.9 p -61.22 159.87 26.74 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 123.8 0.84 . . . . 0.0 110.995 -177.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -60.42 -25.52 80.62 Favored 'Trans proline' 0 CA--C 1.536 0.624 0 C-N-CA 122.34 2.027 . . . . 0.0 113.292 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -60.39 -48.6 81.04 Favored 'General case' 0 C--N 1.342 0.241 0 O-C-N 121.933 -0.479 . . . . 0.0 110.162 170.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 80.1 m -72.58 -28.18 62.64 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 123.275 0.63 . . . . 0.0 112.471 176.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.58 -34.73 73.09 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.1 0.864 . . . . 0.0 110.85 168.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.2 m -85.72 -44.12 12.81 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.151 1.38 . . . . 0.0 112.058 -177.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 . . . . . 0 N--CA 1.473 0.691 0 C-N-CA 124.462 1.105 . . . . 0.0 113.33 -165.725 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo . . . . . 0 CA--C 1.541 0.853 0 CA-C-O 121.677 0.616 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -123.93 -73.75 0.63 Allowed 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 127.983 2.513 . . . . 0.0 107.458 -177.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.72 93.4 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 126.543 1.937 . . . . 0.0 111.134 -173.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 47.8 m170 -125.85 162.57 24.85 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 126.009 1.723 . . . . 0.0 109.123 -171.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.41 93.5 2.82 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.653 0.781 . . . . 0.0 108.954 -165.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 35.9 mt -81.76 101.88 7.06 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.266 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 176.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.8 tt -67.91 113.1 5.35 Favored 'General case' 0 N--CA 1.447 -0.603 0 O-C-N 120.971 -1.081 . . . . 0.0 108.772 172.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 44.0 m -122.91 -171.46 2.3 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.654 1.582 . . . . 0.0 109.1 172.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 31.4 m -113.76 160.67 13.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 160.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . 0.436 ' SG ' ' SG ' ' B' ' 52' ' ' CYS . 38.9 t -64.84 134.11 53.37 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 168.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 44.7 t -51.47 -37.06 46.99 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.117 1.767 . . . . 0.0 112.008 175.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.26 -25.13 3.28 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -169.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.9 m -85.89 -11.28 53.64 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 118.364 -0.827 . . . . 0.0 111.617 171.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 30.7 t0 41.47 48.78 3.45 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 127.231 2.212 . . . . 0.0 112.167 -178.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.63 154.22 20.32 Favored Glycine 0 C--N 1.336 0.571 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -60.47 121.0 11.02 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 126.502 1.921 . . . . 0.0 109.169 -173.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 22.8 mt -120.37 127.1 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 168.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -88.87 87.76 7.35 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 170.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 61.7 mt -68.8 97.8 0.86 Allowed 'General case' 0 C--O 1.235 0.318 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -169.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 31.5 m -86.49 100.83 12.65 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 -173.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 15.1 m -122.94 137.23 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 N-CA-C 106.094 -1.817 . . . . 0.0 106.094 178.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -89.12 107.13 18.88 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 106.035 -1.839 . . . . 0.0 106.035 174.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 64.1 m -157.86 132.05 8.17 Favored 'General case' 0 N--CA 1.443 -0.79 0 O-C-N 121.529 -0.732 . . . . 0.0 109.813 -163.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 69.1 m -62.5 149.18 43.58 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 173.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.2 -44.38 71.55 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.189 0.904 . . . . 0.0 113.027 -169.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -78.89 -20.98 48.11 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.737 0.815 . . . . 0.0 112.087 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -75.0 -42.11 58.15 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.948 1.299 . . . . 0.0 108.546 173.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.18 -38.69 87.4 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 126.756 2.022 . . . . 0.0 110.972 171.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -66.12 -45.9 79.48 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 127.043 2.137 . . . . 0.0 108.86 175.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 60.6 m -57.8 -49.49 76.44 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 174.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -37.45 68.49 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.562 1.145 . . . . 0.0 111.662 170.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -68.28 -30.25 69.22 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 120.156 -1.59 . . . . 0.0 109.826 177.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -71.49 -35.67 70.86 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 120.877 -1.14 . . . . 0.0 109.89 172.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 79.7 mt -61.39 -32.28 72.21 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 118.284 0.493 . . . . 0.0 110.857 169.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -64.71 -48.57 74.17 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 125.131 1.373 . . . . 0.0 110.413 173.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 53.3 mt -64.47 -29.16 70.21 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.241 1.017 . . . . 0.0 112.255 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.5 t -63.62 -77.75 0.05 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.581 1.952 . . . . 0.0 109.739 169.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 24.0 p -141.24 -26.39 0.71 Allowed 'General case' 0 C--O 1.236 0.391 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 176.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.93 100.23 0.11 Allowed 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 123.829 0.852 . . . . 0.0 113.108 -159.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 14.2 m -107.36 153.21 23.1 Favored 'General case' 0 N--CA 1.434 -1.248 0 N-CA-C 105.966 -1.864 . . . . 0.0 105.966 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -115.15 152.84 31.89 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 123.044 1.402 . . . . 0.0 111.24 -166.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -141.52 101.1 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 C-N-CA 127.619 2.367 . . . . 0.0 105.171 -157.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 p -62.07 161.35 24.11 Favored Pre-proline 0 CA--C 1.542 0.671 0 C-N-CA 122.782 0.433 . . . . 0.0 110.268 176.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.24 -23.78 31.38 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 122.208 1.939 . . . . 0.0 115.308 -177.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 14.6 t90 -61.3 -65.69 0.65 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.05 0.94 . . . . 0.0 110.903 172.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.436 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 0.7 OUTLIER -64.78 -20.93 66.64 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 118.447 0.567 . . . . 0.0 112.48 175.772 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.96 93.13 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 118.274 -1.37 . . . . 0.0 109.573 171.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 17.2 m -77.2 -20.81 54.84 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.554 1.541 . . . . 0.0 112.735 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -119.57 -11.7 9.41 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 120.613 1.552 . . . . 0.0 114.228 -171.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 . . . . . 0 C--O 1.247 0.934 0 C-N-CA 125.363 1.465 . . . . 0.0 109.853 -159.318 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 . . . . . 0 N--CA 1.451 -0.415 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.39 91.93 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.359 1.464 . . . . 0.0 110.807 178.054 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.0 m170 -124.44 159.01 31.45 Favored 'General case' 0 C--O 1.227 -0.106 0 C-N-CA 124.857 1.263 . . . . 0.0 109.266 -171.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -135.82 93.28 2.92 Favored 'General case' 0 N--CA 1.456 -0.148 0 O-C-N 122.153 -0.342 . . . . 0.0 110.779 -158.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.6 mt -83.71 97.18 4.6 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 174.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 tt -65.44 112.36 3.51 Favored 'General case' 0 N--CA 1.448 -0.559 0 O-C-N 120.328 -1.482 . . . . 0.0 108.577 171.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.5 t -129.88 -164.84 1.45 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.983 0.913 . . . . 0.0 110.461 177.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.7 m -122.13 154.55 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 123.915 0.886 . . . . 0.0 108.721 166.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.424 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 37.4 t -71.92 120.21 17.2 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 170.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 18.8 t -51.32 -36.06 40.94 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.935 0.894 . . . . 0.0 112.917 -176.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.47 ' HE2' ' HB2' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -107.69 -8.19 16.17 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -170.28 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 m -104.01 -20.98 13.68 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.968 0.907 . . . . 0.0 112.324 171.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.4 t0 42.6 48.03 4.61 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.124 1.77 . . . . 0.0 111.478 -159.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -117.59 146.97 18.78 Favored Glycine 0 C--N 1.34 0.777 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 176.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -64.32 126.44 27.78 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 126.136 1.774 . . . . 0.0 109.288 -174.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.6 mt -119.5 148.6 22.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 168.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -115.54 83.88 2.0 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 175.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.3 mt -70.01 94.7 0.89 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.153 -1.385 . . . . 0.0 109.385 -161.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.3 m -85.64 85.82 7.39 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -175.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.1 m -100.27 137.18 28.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -103.7 97.78 7.75 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 103.309 -2.849 . . . . 0.0 103.309 -167.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.8 m -156.66 132.76 9.76 Favored 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 120.525 -1.36 . . . . 0.0 111.241 -158.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.4 m -59.47 144.57 46.74 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 177.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.92 -40.24 66.55 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 -166.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -81.64 -21.89 37.91 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.841 0.829 . . . . 0.0 112.115 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -80.3 -39.89 27.88 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.741 1.616 . . . . 0.0 108.622 176.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tt -56.11 -46.21 79.2 Favored 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 126.548 1.939 . . . . 0.0 110.076 164.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -62.64 -44.15 97.0 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 124.457 1.103 . . . . 0.0 109.7 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.5 m -57.08 -49.79 74.76 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 175.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.69 -25.35 66.51 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.254 -0.904 . . . . 0.0 112.371 176.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -68.32 -31.8 71.47 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 120.275 -1.515 . . . . 0.0 109.875 170.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -70.32 -33.51 71.6 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.022 -1.049 . . . . 0.0 109.695 170.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.4 mt -64.42 -28.96 70.04 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 118.882 0.765 . . . . 0.0 112.231 169.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.93 -49.34 76.53 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.436 1.494 . . . . 0.0 109.644 169.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.6 mt -69.24 -23.36 63.86 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.126 0.97 . . . . 0.0 112.909 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.0 t -67.89 -82.73 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.746 2.018 . . . . 0.0 109.188 170.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.5 p -139.79 -11.12 1.16 Allowed 'General case' 0 C--N 1.344 0.337 0 N-CA-C 115.454 1.65 . . . . 0.0 115.454 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.0 tt -76.82 108.3 9.75 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -166.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.65 176.39 6.89 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 158.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.03 148.12 50.53 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 121.194 -0.941 . . . . 0.0 109.735 178.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.3 t -142.59 96.71 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 C-N-CA 126.641 1.976 . . . . 0.0 106.796 -168.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.9 p -53.63 148.64 17.97 Favored Pre-proline 0 CA--C 1.542 0.64 0 C-N-CA 126.052 1.741 . . . . 0.0 111.894 -174.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -61.68 -25.51 79.03 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 121.992 1.795 . . . . 0.0 113.956 -174.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 34.7 t90 -56.78 -53.74 54.36 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.147 0.979 . . . . 0.0 110.735 169.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.47 ' HB2' ' HE2' ' A' ' 18' ' ' LYS . 9.6 p -80.12 -18.47 49.74 Favored 'General case' 0 CA--C 1.513 -0.448 0 O-C-N 121.63 -0.669 . . . . 0.0 112.281 178.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.38 -38.59 87.58 Favored 'General case' 0 N--CA 1.435 -1.219 0 C-N-CA 118.835 -1.146 . . . . 0.0 109.585 169.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 19.4 m -73.01 -53.53 10.93 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.348 1.859 . . . . 0.0 111.061 175.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 -168.556 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo . . . . . 0 CA--C 1.539 0.73 0 N-CA-C 112.115 0.006 . . . . 0.0 112.115 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 16.8 mp0 -128.1 -63.42 1.01 Allowed 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.694 1.198 . . . . 0.0 109.809 177.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -57.41 90.8 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.868 1.267 . . . . 0.0 111.864 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 60.7 m170 -126.32 168.64 13.86 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 125.54 1.536 . . . . 0.0 110.402 -167.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.09 101.92 4.27 Favored 'General case' 0 C--N 1.338 0.103 0 C-N-CA 124.052 0.941 . . . . 0.0 109.666 -165.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 52.7 mt -89.65 101.1 11.79 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 172.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 tt -68.03 120.72 14.72 Favored 'General case' 0 N--CA 1.447 -0.619 0 O-C-N 120.373 -1.454 . . . . 0.0 108.891 173.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 4.2 t -130.1 -173.21 2.98 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 126.507 1.923 . . . . 0.0 108.942 174.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.7 m -127.17 156.77 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 123.911 0.884 . . . . 0.0 109.062 169.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 11.4 t -73.74 130.82 40.76 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 123.138 0.575 . . . . 0.0 110.45 -178.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 5.8 t -60.98 -35.64 77.34 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -174.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.85 -11.65 16.15 Favored 'General case' 0 C--N 1.342 0.247 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -167.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.0 p -139.17 2.89 2.13 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 18.7 t0 55.91 21.37 4.84 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.721 2.008 . . . . 0.0 114.139 177.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.15 148.04 40.38 Favored Glycine 0 C--N 1.339 0.743 0 N-CA-C 109.939 -1.264 . . . . 0.0 109.939 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -67.48 119.03 11.62 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 125.047 1.339 . . . . 0.0 108.583 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 2.4 mt -125.3 114.17 38.66 Favored 'Isoleucine or valine' 0 C--N 1.342 0.257 0 CA-C-O 121.774 0.797 . . . . 0.0 109.403 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -81.67 87.32 6.3 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 170.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 50.0 mt -68.12 98.19 0.77 Allowed 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -169.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 49.3 m -90.95 104.88 17.41 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 -172.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 9.0 m -121.32 140.54 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 105.15 -2.167 . . . . 0.0 105.15 -176.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -110.76 79.63 1.22 Allowed 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 -166.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -151.63 155.2 37.89 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-O 121.406 0.622 . . . . 0.0 111.915 -174.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.2 m -49.91 142.11 9.52 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 127.01 2.124 . . . . 0.0 110.249 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.38 -38.71 63.61 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -168.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -81.58 -25.17 36.0 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -178.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -71.74 -42.95 66.63 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.809 1.243 . . . . 0.0 108.766 172.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.84 -46.57 78.13 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.203 1.401 . . . . 0.0 110.451 168.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -62.77 -47.91 81.48 Favored 'General case' 0 CA--C 1.51 -0.559 0 C-N-CA 125.395 1.478 . . . . 0.0 108.302 -177.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 41.0 m -55.74 -47.78 76.36 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.6 -31.13 71.99 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.826 -0.546 . . . . 0.0 112.39 175.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -65.65 -34.25 77.78 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 120.848 -1.158 . . . . 0.0 109.18 172.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -69.18 -32.68 72.14 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 119.425 1.011 . . . . 0.0 110.224 174.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 52.5 mt -59.68 -46.14 89.96 Favored 'General case' 0 C--N 1.343 0.324 0 CA-C-N 119.082 0.855 . . . . 0.0 110.455 168.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -60.18 -43.63 95.72 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.168 0.895 . . . . 0.0 111.646 174.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.71 -37.62 82.31 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.846 1.258 . . . . 0.0 111.208 176.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 9.2 t -70.83 -63.31 1.12 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 126.191 1.797 . . . . 0.0 111.827 176.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.99 -35.74 0.32 Allowed 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 115.151 1.538 . . . . 0.0 115.151 -158.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.11 158.01 21.53 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 -159.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.3 p -142.19 176.81 8.69 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.03 1.732 . . . . 0.0 109.795 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -137.32 155.32 49.58 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 120.456 -1.403 . . . . 0.0 108.693 176.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . 0.272 1.8 t -137.47 100.23 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 C-N-CA 125.702 1.601 . . . . 0.0 106.872 -174.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 p -57.47 146.24 64.88 Favored Pre-proline 0 N--CA 1.47 0.543 0 C-N-CA 124.674 1.19 . . . . 0.0 110.723 -169.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -57.88 -30.3 89.13 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 121.915 1.743 . . . . 0.0 113.825 -172.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 19.0 t90 -56.24 -63.0 1.33 Allowed 'General case' 0 C--O 1.235 0.301 0 C-N-CA 124.513 1.125 . . . . 0.0 110.268 171.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 1.3 p -69.14 -28.21 66.23 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-O 119.59 -0.243 . . . . 0.0 110.539 -177.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.69 -37.76 88.55 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 117.996 0.362 . . . . 0.0 110.489 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 30.4 m -74.74 -49.58 20.51 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.012 1.725 . . . . 0.0 110.682 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -71.43 -25.69 62.42 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.111 0.564 . . . . 0.0 112.257 -176.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 . . . . . 0 C--O 1.252 1.188 0 C-N-CA 127.631 2.372 . . . . 0.0 111.002 -173.106 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 . . . . . 0 CA--C 1.532 0.278 0 CA-C-O 117.676 -1.154 . . . . 0.0 111.518 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.9 89.94 0.06 Allowed 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 120.752 1.614 . . . . 0.0 111.129 -173.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -123.99 164.88 18.44 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 123.781 0.832 . . . . 0.0 110.618 -166.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.1 100.74 4.23 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 124.502 1.121 . . . . 0.0 109.204 -164.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.2 mt -85.59 95.8 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 171.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.8 tt -63.64 115.72 5.0 Favored 'General case' 0 N--CA 1.445 -0.675 0 O-C-N 121.015 -1.053 . . . . 0.0 108.225 169.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.0 t -124.25 -169.69 2.01 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 124.505 1.122 . . . . 0.0 109.09 171.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.8 m -119.46 161.19 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 164.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.493 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 14.2 t -67.12 127.96 34.57 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 173.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.2 t -48.65 -35.82 14.59 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.538 1.935 . . . . 0.0 112.394 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.66 -7.45 10.08 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -172.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -115.62 -12.63 11.56 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.32 1.048 . . . . 0.0 113.566 177.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.9 t0 54.72 20.8 3.15 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.968 1.707 . . . . 0.0 113.248 -173.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.41 147.28 20.62 Favored Glycine 0 C--N 1.341 0.851 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 -178.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -64.75 122.4 16.8 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 125.093 1.357 . . . . 0.0 109.095 -175.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.5 mt -128.26 130.49 69.45 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.174 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 173.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -97.54 85.61 3.65 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 123.974 0.91 . . . . 0.0 108.743 175.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.5 mt -71.34 100.12 2.09 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.044 -166.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.1 m -90.97 113.21 25.39 Favored 'General case' 0 N--CA 1.436 -1.151 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 -172.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.4 m -121.68 121.66 64.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 N-CA-C 103.513 -2.773 . . . . 0.0 103.513 178.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -81.37 100.75 9.41 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 104.684 -2.339 . . . . 0.0 104.684 170.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -158.16 155.57 29.33 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 122.804 0.442 . . . . 0.0 109.834 173.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.5 m -54.84 145.67 19.24 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.984 0.914 . . . . 0.0 110.142 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.51 -39.33 64.53 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -168.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -92.67 -15.36 26.85 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -173.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -63.5 -46.15 87.43 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 159.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.65 -36.06 79.73 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.816 1.647 . . . . 0.0 112.416 174.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -72.06 -44.38 63.42 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 127.276 2.23 . . . . 0.0 109.78 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.7 m -56.28 -47.13 79.21 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 172.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.7 -37.94 74.36 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.324 1.45 . . . . 0.0 112.371 170.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -62.94 -34.36 77.31 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 119.943 -1.723 . . . . 0.0 110.609 173.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -69.7 -32.3 70.82 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 121.646 -0.659 . . . . 0.0 109.746 173.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.8 mt -64.88 -31.2 72.32 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 118.639 0.654 . . . . 0.0 112.612 169.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -64.73 -49.4 70.98 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.952 1.251 . . . . 0.0 110.175 167.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.9 mt -62.48 -26.13 68.37 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.067 0.547 . . . . 0.0 112.373 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.8 t -67.19 -81.78 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.939 2.496 . . . . 0.0 109.882 167.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.7 p -138.74 -19.81 1.03 Allowed 'General case' 0 C--N 1.346 0.434 0 N-CA-C 116.228 1.936 . . . . 0.0 116.228 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 tt -71.23 144.37 50.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 122.35 1.071 . . . . 0.0 113.464 -161.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.9 m -152.69 166.46 32.09 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 124.734 1.213 . . . . 0.0 107.827 158.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -109.8 160.38 16.39 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.981 0.896 . . . . 0.0 109.594 -167.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.459 ' CG1' ' SG ' ' A' ' 52' ' ' CYS . 2.3 t -138.89 90.76 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 N-CA-C 103.496 -2.779 . . . . 0.0 103.496 -158.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.9 p -53.59 149.9 14.39 Favored Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 115.078 -0.964 . . . . 0.0 109.293 -176.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -55.91 -30.41 77.27 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 121.817 1.678 . . . . 0.0 113.569 -173.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -55.63 -61.23 2.49 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.954 0.902 . . . . 0.0 110.965 168.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.493 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -67.08 -30.25 70.24 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-O 118.988 -0.53 . . . . 0.0 111.692 -177.751 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.66 -36.6 84.79 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 118.313 0.506 . . . . 0.0 110.455 175.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.3 m -76.85 -45.03 29.92 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.152 0.981 . . . . 0.0 111.418 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.473 0.721 0 C-N-CA 123.699 0.8 . . . . 0.0 112.0 -174.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo . . . . . 0 CA--C 1.537 0.636 0 CA-C-O 121.508 0.545 . . . . 0.0 111.941 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -128.23 -52.26 1.3 Allowed 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 126.043 1.737 . . . . 0.0 109.21 172.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.47 91.88 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.561 1.145 . . . . 0.0 110.779 -178.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 50.7 m170 -126.8 166.95 16.48 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 123.805 0.842 . . . . 0.0 111.256 -168.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.36 105.7 5.52 Favored 'General case' 0 C--N 1.341 0.23 0 C-N-CA 124.967 1.307 . . . . 0.0 109.363 -170.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 72.8 mt -89.43 97.09 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 170.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 tt -64.13 114.84 4.44 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 120.971 -1.081 . . . . 0.0 108.4 168.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 2.8 t -123.03 -169.54 1.95 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.693 1.197 . . . . 0.0 109.134 170.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.3 m -118.24 162.51 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 164.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . 0.513 ' SG ' ' SG ' ' B' ' 52' ' ' CYS . 27.1 t -66.34 127.76 33.49 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 170.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 43.5 t -47.98 -36.8 13.27 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.607 1.963 . . . . 0.0 112.345 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.59 -9.06 9.87 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -172.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -113.62 -11.15 13.04 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.905 0.882 . . . . 0.0 113.033 178.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 t0 53.81 21.55 2.79 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.165 1.786 . . . . 0.0 113.285 -174.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.34 146.91 19.25 Favored Glycine 0 C--N 1.34 0.794 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -177.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -65.12 121.64 15.2 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 125.34 1.456 . . . . 0.0 109.304 -175.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 8.5 mt -127.12 126.1 67.48 Favored 'Isoleucine or valine' 0 C--N 1.34 0.174 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 174.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -93.75 85.91 4.97 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 124.059 0.944 . . . . 0.0 108.824 175.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.3 mt -71.17 98.23 1.66 Allowed 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.063 -167.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 24.0 m -86.14 112.24 21.12 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 -175.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 m -122.76 120.16 60.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 103.301 -2.852 . . . . 0.0 103.301 178.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.409 ' HG3' ' CG2' ' A' ' 48' ' ' VAL . 5.9 mt-10 -83.65 99.37 10.16 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 104.526 -2.398 . . . . 0.0 104.526 172.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -157.69 155.53 30.14 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 123.038 0.535 . . . . 0.0 109.737 174.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.0 m -55.88 147.19 19.89 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.108 0.963 . . . . 0.0 110.133 -178.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.29 -40.83 65.02 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -168.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -92.41 -14.9 27.92 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -173.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -63.86 -45.89 87.46 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 160.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.25 -38.65 84.13 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.615 1.566 . . . . 0.0 111.919 174.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -70.84 -44.56 66.2 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 127.463 2.305 . . . . 0.0 109.734 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 29.5 m -57.0 -46.7 82.1 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 173.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.11 -37.87 75.39 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.327 1.451 . . . . 0.0 112.296 171.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -62.86 -34.98 78.49 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 120.101 -1.625 . . . . 0.0 110.137 173.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -70.26 -31.16 68.41 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.589 -0.694 . . . . 0.0 110.019 173.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 73.3 mt -65.95 -30.4 70.96 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 118.847 0.748 . . . . 0.0 112.398 170.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -64.26 -49.41 71.98 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.96 1.255 . . . . 0.0 109.914 167.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 70.8 mt -63.26 -27.15 69.15 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 5.2 t -64.31 -78.77 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 127.673 2.389 . . . . 0.0 109.678 167.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 40.4 p -143.22 -22.6 0.62 Allowed 'General case' 0 C--N 1.343 0.298 0 N-CA-C 115.931 1.826 . . . . 0.0 115.931 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 tt -69.81 145.13 52.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 122.24 1.019 . . . . 0.0 113.197 -161.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.8 m -152.23 164.91 36.41 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 158.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -105.54 160.7 14.96 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 122.177 0.989 . . . . 0.0 109.585 -168.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.448 ' CG1' ' SG ' ' B' ' 52' ' ' CYS . 2.6 t -138.83 90.82 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 N-CA-C 103.238 -2.875 . . . . 0.0 103.238 -158.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 p -53.08 148.29 14.95 Favored Pre-proline 0 CA--C 1.533 0.327 0 CA-C-N 114.957 -1.02 . . . . 0.0 108.962 -176.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -55.66 -28.84 67.91 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 122.239 1.959 . . . . 0.0 113.905 -170.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 21.4 t90 -54.41 -65.57 0.55 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.373 1.469 . . . . 0.0 110.711 166.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.513 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 0.5 OUTLIER -67.91 -26.74 66.13 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-N 118.801 0.728 . . . . 0.0 112.302 -178.925 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.37 -49.06 79.27 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 121.201 -0.937 . . . . 0.0 109.207 174.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 19.9 m -70.84 -51.42 26.68 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.729 1.612 . . . . 0.0 111.382 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -88.78 -12.19 42.79 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.07 0.948 . . . . 0.0 112.948 -167.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.766 2.026 . . . . 0.0 110.097 -167.123 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.3 mp0 . . . . . 0 N--CA 1.45 -0.463 0 CA-C-O 117.762 -1.113 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.51 93.47 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 120.524 1.511 . . . . 0.0 110.496 -175.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 44.0 m170 -127.1 166.37 17.77 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 118.53 0.605 . . . . 0.0 110.325 -169.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.1 mtpt -141.95 94.67 2.7 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.165 0.986 . . . . 0.0 109.304 -161.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.4 mt -83.74 94.4 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 172.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt -65.19 109.25 2.14 Favored 'General case' 0 N--CA 1.446 -0.636 0 O-C-N 120.652 -1.28 . . . . 0.0 108.546 166.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.7 t -117.42 -171.82 2.11 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.165 0.986 . . . . 0.0 109.235 171.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.8 m -120.81 155.01 24.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 124.157 0.983 . . . . 0.0 108.989 172.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.1 t -73.04 131.77 42.54 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.143 -177.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.5 t -61.44 -34.53 75.58 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.413 0.685 . . . . 0.0 112.09 -173.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.15 -17.0 15.07 Favored 'General case' 0 C--N 1.346 0.424 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -173.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.3 p -134.75 3.61 3.26 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -175.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.5 t0 57.06 15.07 2.21 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.892 2.077 . . . . 0.0 114.096 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.08 147.66 39.89 Favored Glycine 0 C--N 1.339 0.723 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 -177.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -63.23 116.28 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 125.369 1.467 . . . . 0.0 109.243 178.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.4 mt -118.81 112.32 37.4 Favored 'Isoleucine or valine' 0 C--N 1.341 0.208 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 175.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -84.45 85.1 7.44 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.859 1.263 . . . . 0.0 109.185 174.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.3 mt -73.07 94.65 1.93 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.445 -0.798 . . . . 0.0 108.892 -171.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.1 m -80.86 109.29 15.28 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 177.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.5 m -124.41 117.86 51.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 N-CA-C 103.951 -2.611 . . . . 0.0 103.951 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.455 ' HG3' ' CG2' ' B' ' 48' ' ' VAL . 5.5 mt-10 -86.2 102.97 14.39 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 178.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -163.82 157.5 18.95 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 123.851 0.86 . . . . 0.0 110.083 174.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.1 m -52.35 143.76 14.37 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.814 1.246 . . . . 0.0 110.542 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.44 -41.05 68.95 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -170.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -71.67 -32.47 67.92 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.855 0.862 . . . . 0.0 112.688 -178.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -67.89 -46.81 70.6 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.533 1.133 . . . . 0.0 108.673 174.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.79 -40.41 72.66 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 125.305 1.442 . . . . 0.0 111.88 172.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -73.49 -43.45 60.09 Favored 'General case' 0 CA--C 1.506 -0.717 0 C-N-CA 126.847 2.059 . . . . 0.0 109.351 -176.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 46.0 m -53.91 -51.86 62.38 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 170.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.56 -39.3 64.65 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.13 1.372 . . . . 0.0 111.936 170.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -67.76 -28.84 67.96 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 120.148 -1.595 . . . . 0.0 111.213 176.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -70.58 -35.61 73.14 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 119.064 0.847 . . . . 0.0 109.487 172.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.96 -37.71 83.35 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.572 0.624 . . . . 0.0 110.881 171.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -60.5 -53.5 56.81 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 118.698 0.681 . . . . 0.0 110.216 170.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.6 mt -62.55 -25.95 68.32 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.558 0.743 . . . . 0.0 112.282 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.5 t -72.82 -69.71 0.4 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 126.641 1.976 . . . . 0.0 110.236 173.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.8 p -145.22 -29.97 0.43 Allowed 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 114.511 1.301 . . . . 0.0 114.511 -172.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.6 tt -70.52 149.22 47.39 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 122.815 1.293 . . . . 0.0 111.54 -163.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 62.9 m -142.8 171.08 14.54 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 159.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -111.06 157.14 20.31 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 178.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . 0.332 0.4 OUTLIER -135.2 106.8 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.966 0 N-CA-C 107.316 -1.365 . . . . 0.0 107.316 177.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 p -57.38 146.51 62.89 Favored Pre-proline 0 C--N 1.344 0.339 0 C-N-CA 125.843 1.657 . . . . 0.0 110.691 -165.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -60.98 -29.71 88.49 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.121 1.88 . . . . 0.0 112.743 -172.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -54.05 -67.09 0.29 Allowed 'General case' 0 C--O 1.235 0.292 0 C-N-CA 124.534 1.134 . . . . 0.0 109.546 169.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.9 p -66.53 -29.78 69.95 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 118.888 -0.577 . . . . 0.0 110.732 -175.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.97 -33.21 74.21 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 118.585 0.63 . . . . 0.0 110.444 -179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.4 m -77.43 -43.06 33.78 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.921 1.289 . . . . 0.0 111.002 175.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 m120 . . . . . 0 N--CA 1.476 0.856 0 CA-C-N 118.668 0.667 . . . . 0.0 111.461 177.874 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo . . . . . 0 CA--C 1.542 0.924 0 N-CA-C 110.342 -0.676 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -127.91 -62.76 1.05 Allowed 'General case' 0 C--N 1.344 0.355 0 CA-C-O 117.195 -1.384 . . . . 0.0 110.303 -178.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.96 96.32 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.646 1.566 . . . . 0.0 112.043 176.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 43.3 m170 -128.33 170.21 13.34 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.39 1.076 . . . . 0.0 110.237 -173.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -137.52 97.12 3.38 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 124.836 1.255 . . . . 0.0 108.785 -166.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 50.1 mt -83.68 98.51 5.48 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.197 0 N-CA-C 105.858 -1.904 . . . . 0.0 105.858 170.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.13 109.78 1.95 Allowed 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 166.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 6.2 t -114.45 -171.59 1.95 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.297 1.439 . . . . 0.0 108.162 170.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 21.5 m -122.09 158.35 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 166.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . 0.475 ' SG ' ' SG ' ' B' ' 52' ' ' CYS . 22.0 t -68.69 125.98 28.27 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 174.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 31.8 t -46.79 -38.0 9.46 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.372 1.869 . . . . 0.0 112.484 178.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.16 -8.06 10.21 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 -170.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -112.41 -13.21 13.43 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.454 1.102 . . . . 0.0 113.117 175.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 23.0 t0 50.15 27.83 2.76 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.796 2.038 . . . . 0.0 113.1 -172.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.34 147.97 18.82 Favored Glycine 0 C--N 1.34 0.776 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -62.54 120.16 10.6 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 125.944 1.698 . . . . 0.0 109.312 -176.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 8.1 mt -122.33 118.72 56.23 Favored 'Isoleucine or valine' 0 C--N 1.341 0.197 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 172.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -82.82 88.61 6.77 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 124.789 1.236 . . . . 0.0 109.021 171.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.9 mt -72.61 99.72 2.61 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -174.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 11.5 m -82.48 97.76 8.57 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 2.5 m -116.58 130.05 72.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 N-CA-C 103.847 -2.649 . . . . 0.0 103.847 -177.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -105.9 102.13 11.59 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 -171.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.7 t -166.45 160.78 15.8 Favored 'General case' 0 C--N 1.341 0.211 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 177.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 16.6 m -52.33 143.66 14.49 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.321 1.049 . . . . 0.0 110.428 176.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.14 -42.15 69.23 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -169.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.75 -30.58 68.2 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -178.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -71.0 -46.53 62.1 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.465 1.106 . . . . 0.0 108.56 176.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.2 -36.54 66.05 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 126.312 1.845 . . . . 0.0 112.192 170.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -80.2 -39.9 28.24 Favored 'General case' 0 CA--C 1.508 -0.66 0 C-N-CA 127.285 2.234 . . . . 0.0 109.985 -175.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 49.2 m -55.25 -51.41 66.71 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 168.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tp -54.75 -35.62 63.94 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.442 1.497 . . . . 0.0 112.153 169.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -68.2 -31.35 70.8 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 119.892 -1.755 . . . . 0.0 111.298 174.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -69.82 -35.25 74.63 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 119.026 0.83 . . . . 0.0 109.235 173.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 42.7 mt -60.77 -38.33 84.9 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 118.848 -0.596 . . . . 0.0 110.787 169.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -62.94 -46.31 88.36 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.096 0.862 . . . . 0.0 110.72 173.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 68.8 mt -66.08 -23.96 66.62 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.334 0.654 . . . . 0.0 112.23 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 28.9 t -76.81 -71.55 0.39 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.14 1.776 . . . . 0.0 110.687 174.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 42.0 p -147.44 -32.28 0.29 Allowed 'General case' 0 C--O 1.235 0.319 0 C-N-CA 125.01 1.324 . . . . 0.0 113.607 -174.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 28.7 tp -57.56 131.99 51.85 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.63 0.772 . . . . 0.0 109.6 -168.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.8 m -138.53 154.21 48.76 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 176.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -114.6 156.08 25.35 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.789 0.804 . . . . 0.0 109.346 -172.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.455 ' CG2' ' HG3' ' A' ' 28' ' ' GLU . 2.1 t -141.19 90.01 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 N-CA-C 102.793 -3.04 . . . . 0.0 102.793 -158.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 1.1 p -51.43 147.16 10.99 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 114.791 -1.095 . . . . 0.0 108.795 -175.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -56.76 -28.03 74.21 Favored 'Trans proline' 0 C--N 1.351 0.659 0 CA-C-N 120.74 1.3 . . . . 0.0 112.92 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -55.93 -59.61 4.65 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.379 1.072 . . . . 0.0 111.57 167.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.475 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 0.8 OUTLIER -66.59 -32.59 74.02 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 118.567 0.621 . . . . 0.0 111.434 -178.589 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.57 -40.8 98.03 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 117.653 0.206 . . . . 0.0 110.536 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 26.4 m -77.95 -52.09 9.36 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.109 1.364 . . . . 0.0 111.267 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.06 -49.05 25.82 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.62 0.768 . . . . 0.0 110.557 -174.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.254 1.329 0 C-N-CA 127.685 2.394 . . . . 0.0 111.751 -172.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 . . . . . 0 N--CA 1.448 -0.575 0 N-CA-C 107.192 -1.411 . . . . 0.0 107.192 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.47 96.8 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 125.853 1.661 . . . . 0.0 110.259 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 45.5 m170 -123.14 156.45 35.0 Favored 'General case' 0 CA--C 1.523 -0.081 0 C-N-CA 123.987 0.915 . . . . 0.0 109.974 -174.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -131.21 88.93 2.65 Favored 'General case' 0 N--CA 1.457 -0.097 0 C-N-CA 124.458 1.103 . . . . 0.0 108.648 -163.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.0 mt -83.54 100.23 6.88 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 176.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tt -68.26 114.77 7.01 Favored 'General case' 0 N--CA 1.447 -0.604 0 O-C-N 120.779 -1.201 . . . . 0.0 108.844 174.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.4 t -131.04 -166.56 1.72 Allowed 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.868 1.667 . . . . 0.0 108.584 175.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.4 m -121.24 154.81 25.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 167.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.436 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 19.3 t -69.97 126.81 30.8 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 171.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.1 t -51.62 -31.57 25.72 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.611 1.164 . . . . 0.0 113.025 -178.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.414 ' HE2' ' OE2' ' B' ' 28' ' ' GLU . 1.2 ptpm? -125.97 -2.74 7.1 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 125.119 1.368 . . . . 0.0 113.991 -162.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 m -108.68 -17.74 13.88 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.372 1.069 . . . . 0.0 112.061 165.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.0 t0 38.94 57.92 1.84 Allowed 'General case' 0 C--N 1.344 0.344 0 C-N-CA 126.114 1.766 . . . . 0.0 111.474 -160.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.3 149.71 19.29 Favored Glycine 0 C--N 1.338 0.658 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -61.81 115.57 4.11 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 127.062 2.145 . . . . 0.0 109.374 -173.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.4 mt -112.43 118.21 57.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 167.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -78.02 86.75 4.19 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 162.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.6 mt -65.03 96.67 0.2 Allowed 'General case' 0 C--N 1.344 0.346 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 -170.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.2 m -88.13 95.87 10.31 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 -177.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.0 m -113.47 143.43 23.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 N-CA-C 105.012 -2.218 . . . . 0.0 105.012 177.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -107.72 88.71 2.8 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 103.093 -2.928 . . . . 0.0 103.093 -169.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.3 m -151.21 128.3 11.13 Favored 'General case' 0 N--CA 1.443 -0.804 0 O-C-N 120.327 -1.483 . . . . 0.0 111.249 -158.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.0 m -60.72 140.36 57.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 118.027 -0.987 . . . . 0.0 108.631 -174.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.67 -37.67 29.53 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -162.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -97.53 -17.12 19.77 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 122.538 1.161 . . . . 0.0 113.645 -175.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -70.95 -39.24 72.71 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 124.573 1.149 . . . . 0.0 108.419 163.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 tt -64.05 -42.08 97.15 Favored 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 125.617 1.567 . . . . 0.0 110.697 172.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -58.68 -45.52 89.27 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 126.158 1.783 . . . . 0.0 109.567 172.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 33.4 m -57.5 -50.18 73.89 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.82 -36.78 65.35 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.265 1.026 . . . . 0.0 111.787 170.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -68.64 -30.0 68.61 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 120.286 -1.508 . . . . 0.0 110.492 177.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -69.88 -35.45 74.67 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 121.488 -0.758 . . . . 0.0 109.638 171.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 71.4 mt -64.24 -27.91 69.37 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 118.648 0.658 . . . . 0.0 112.057 169.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -65.04 -47.9 75.76 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.834 1.254 . . . . 0.0 110.39 169.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 78.8 mt -67.76 -25.81 65.8 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.9 0.88 . . . . 0.0 112.859 176.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.4 t -65.65 -81.96 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.822 2.049 . . . . 0.0 109.233 170.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.2 p -139.07 -14.88 1.15 Allowed 'General case' 0 C--N 1.345 0.38 0 N-CA-C 116.319 1.97 . . . . 0.0 116.319 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.2 tt -71.81 105.41 3.77 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -166.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.1 p -90.32 173.17 8.27 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 158.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -126.82 149.9 49.46 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 122.046 0.927 . . . . 0.0 111.18 -176.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.8 t -143.5 91.33 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 C-N-CA 128.176 2.591 . . . . 0.0 107.61 -162.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.2 p -58.19 157.58 16.47 Favored Pre-proline 0 CA--C 1.544 0.713 0 C-N-CA 125.237 1.415 . . . . 0.0 112.02 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -56.6 -27.48 69.94 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 122.116 1.878 . . . . 0.0 115.597 -173.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -58.82 -67.09 0.4 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.775 1.23 . . . . 0.0 110.12 174.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.436 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 19.1 p -66.52 -25.25 66.58 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-O 118.645 -0.693 . . . . 0.0 111.996 177.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.77 -33.52 75.33 Favored 'General case' 0 N--CA 1.438 -1.071 0 C-N-CA 118.698 -1.201 . . . . 0.0 110.247 175.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.7 m -76.88 -48.57 17.92 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.469 1.508 . . . . 0.0 110.81 173.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 m120 . . . . . 0 N--CA 1.475 0.821 0 CA-C-O 118.429 -0.795 . . . . 0.0 112.642 -171.857 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 CA--C 1.54 0.81 0 CA-C-O 120.866 0.277 . . . . 0.0 112.644 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 -128.1 -56.33 1.26 Allowed 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 125.307 1.443 . . . . 0.0 109.589 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.7 89.73 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.844 1.657 . . . . 0.0 111.609 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 57.8 m170 -127.53 167.88 15.7 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.463 1.505 . . . . 0.0 110.062 -168.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.79 96.76 3.13 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 123.868 0.867 . . . . 0.0 109.482 -161.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 38.4 mt -88.13 99.57 9.07 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 173.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 tt -66.41 118.31 9.88 Favored 'General case' 0 N--CA 1.447 -0.595 0 O-C-N 120.651 -1.281 . . . . 0.0 108.698 171.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 t -126.64 -173.7 2.94 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 126.138 1.775 . . . . 0.0 108.348 171.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 15.3 m -125.39 154.76 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 169.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . 0.412 ' SG ' ' SG ' ' B' ' 52' ' ' CYS . 12.7 t -72.01 131.58 43.09 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.146 -178.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 7.5 t -59.45 -39.01 82.22 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -173.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.98 -15.13 18.4 Favored 'General case' 0 C--N 1.342 0.263 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -168.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 27.2 p -137.25 2.48 2.52 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -173.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 20.3 t0 55.14 20.37 3.31 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.606 1.963 . . . . 0.0 113.916 178.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.6 146.11 38.21 Favored Glycine 0 C--N 1.34 0.75 0 N-CA-C 109.624 -1.391 . . . . 0.0 109.624 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -66.23 116.65 7.51 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 124.968 1.307 . . . . 0.0 108.558 178.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 3.1 mt -122.42 111.26 29.6 Favored 'Isoleucine or valine' 0 C--N 1.341 0.22 0 CA-C-N 118.819 0.736 . . . . 0.0 109.113 176.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -77.86 87.04 4.08 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 167.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 48.9 mt -66.54 96.31 0.37 Allowed 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 -173.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 38.9 m -88.98 101.72 14.36 Favored 'General case' 0 N--CA 1.438 -1.058 0 N-CA-C 106.566 -1.642 . . . . 0.0 106.566 -174.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 7.6 m -120.69 140.85 43.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 105.021 -2.214 . . . . 0.0 105.021 -176.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.414 ' OE2' ' HE2' ' A' ' 18' ' ' LYS . 4.1 tt0 -112.23 80.25 1.31 Allowed 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 104.931 -2.248 . . . . 0.0 104.931 -160.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -152.19 155.69 38.29 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.343 0.592 . . . . 0.0 111.537 -173.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.0 m -52.42 143.54 15.06 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.364 1.865 . . . . 0.0 109.935 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.61 -36.03 61.55 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -165.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.64 -16.06 23.48 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -176.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.51 -42.62 82.52 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 123.86 0.864 . . . . 0.0 108.721 162.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.4 -45.22 94.36 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.513 1.125 . . . . 0.0 110.42 172.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -60.69 -48.12 83.21 Favored 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 126.296 1.839 . . . . 0.0 108.463 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 36.0 m -56.92 -47.26 81.01 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.49 -28.74 68.1 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.782 0.719 . . . . 0.0 112.602 176.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -65.13 -35.62 81.67 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.087 -1.008 . . . . 0.0 108.953 171.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -67.8 -36.37 80.31 Favored 'General case' 0 C--N 1.343 0.307 0 CA-C-N 119.203 0.91 . . . . 0.0 109.983 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 60.1 mt -57.95 -44.96 87.28 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.823 0.738 . . . . 0.0 110.354 169.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -62.57 -42.74 99.74 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.104 0.865 . . . . 0.0 111.153 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 45.1 mt -64.94 -30.05 71.02 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.557 0.743 . . . . 0.0 112.1 176.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 22.0 t -79.5 -56.14 4.54 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.865 1.266 . . . . 0.0 111.572 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.9 p -149.48 -30.64 0.23 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.652 1.581 . . . . 0.0 115.265 -158.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 tp -93.68 155.86 17.02 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -158.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.8 p -140.91 176.5 8.75 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.77 1.628 . . . . 0.0 110.176 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -137.46 155.46 49.29 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 120.817 -1.177 . . . . 0.0 109.101 178.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . 0.256 1.5 t -139.46 103.31 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.828 0 C-N-CA 125.606 1.563 . . . . 0.0 107.543 -174.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 p -60.11 147.23 81.17 Favored Pre-proline 0 N--CA 1.47 0.563 0 C-N-CA 125.311 1.444 . . . . 0.0 110.538 -172.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -59.75 -30.93 93.24 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.386 2.058 . . . . 0.0 113.88 -171.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 20.2 t90 -58.79 -59.74 4.95 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 123.85 0.86 . . . . 0.0 109.875 173.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.412 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 0.5 OUTLIER -68.94 -29.41 67.64 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 119.126 -0.464 . . . . 0.0 110.681 -178.197 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.34 -33.53 76.19 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 123.196 0.599 . . . . 0.0 111.075 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 39.5 m -73.92 -47.05 40.49 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.379 1.471 . . . . 0.0 110.331 174.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -70.16 -44.89 67.89 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.21 0.604 . . . . 0.0 111.898 -175.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.254 1.313 0 C-N-CA 129.854 3.262 . . . . 0.0 114.081 173.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . 0.253 1.0 OUTLIER . . . . . 0 N--CA 1.438 -1.041 0 CA-C-O 117.982 -1.008 . . . . 0.0 109.412 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.06 87.92 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 126.638 1.975 . . . . 0.0 112.633 -174.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -121.73 162.05 21.5 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.464 1.105 . . . . 0.0 109.79 -173.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.63 96.22 3.3 Favored 'General case' 0 CA--C 1.523 -0.075 0 C-N-CA 123.48 0.712 . . . . 0.0 109.802 -161.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.4 mt -87.51 101.36 11.28 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.253 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 174.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 tt -65.55 115.22 5.53 Favored 'General case' 0 N--CA 1.447 -0.599 0 O-C-N 120.811 -1.181 . . . . 0.0 108.392 171.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.5 t -133.58 -166.37 1.77 Allowed 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 126.393 1.877 . . . . 0.0 108.228 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.3 m -118.73 157.72 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 166.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.1 t -65.33 130.73 44.37 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 167.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 18.0 t -49.73 -36.01 24.11 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.289 1.436 . . . . 0.0 112.545 -178.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.37 -16.09 7.95 Favored 'General case' 0 C--N 1.343 0.291 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 -172.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 m -92.12 -17.62 24.69 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 119.375 0.989 . . . . 0.0 112.057 170.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.1 t0 49.13 34.55 6.02 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.443 1.497 . . . . 0.0 111.815 -169.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -106.96 147.34 16.19 Favored Glycine 0 C--N 1.34 0.788 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 -178.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -59.53 112.8 1.92 Allowed 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 126.371 1.868 . . . . 0.0 108.827 -174.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.9 mt -113.18 122.84 68.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 167.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -79.74 86.7 5.3 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 107.653 -1.239 . . . . 0.0 107.653 162.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.1 mt -64.08 95.95 0.13 Allowed 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.573 1.149 . . . . 0.0 108.034 -170.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 56.8 m -89.63 87.39 7.0 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 -172.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.7 m -106.31 145.07 14.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 104.949 -2.241 . . . . 0.0 104.949 -179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . 0.269 1.7 tt0 -111.76 103.84 12.13 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 101.458 -3.534 . . . . 0.0 101.458 -169.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . 0.284 31.7 m -157.68 142.15 16.32 Favored 'General case' 0 C--O 1.221 -0.424 0 O-C-N 118.796 -2.44 . . . . 0.0 110.397 -158.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.3 m -67.68 147.16 53.05 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 121.131 1.787 . . . . 0.0 107.105 173.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.34 -32.51 64.76 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 -163.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -101.45 -16.54 16.81 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -177.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -65.81 -41.41 91.91 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 161.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.9 tt -61.26 -51.68 67.91 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 125.906 1.683 . . . . 0.0 110.781 172.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -52.17 -48.54 64.91 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 125.721 1.608 . . . . 0.0 108.654 177.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.7 m -57.54 -50.96 71.37 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 178.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.83 -41.37 57.56 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.552 1.141 . . . . 0.0 111.409 171.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -70.73 -31.55 68.42 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.262 1.425 . . . . 0.0 109.83 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -69.51 -33.85 73.42 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 119.388 0.994 . . . . 0.0 109.86 172.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.29 -49.62 76.49 Favored 'General case' 0 C--N 1.343 0.31 0 CA-C-N 118.732 0.696 . . . . 0.0 109.954 167.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -58.49 -42.21 87.09 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.472 0.578 . . . . 0.0 111.622 177.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.1 tt -61.05 -35.75 77.73 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.63 1.172 . . . . 0.0 111.639 174.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.4 t -85.52 -55.88 3.79 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.417 1.087 . . . . 0.0 112.479 -174.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.0 p -141.26 -19.06 0.79 Allowed 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.103 1.761 . . . . 0.0 115.605 -158.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mp -115.92 164.12 14.87 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 115.902 1.816 . . . . 0.0 115.902 -158.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.1 m -159.32 174.25 15.04 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.009 1.324 . . . . 0.0 110.496 171.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.21 152.71 35.16 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 125.194 1.398 . . . . 0.0 108.718 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 8.6 t -136.11 100.34 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.045 0 C-N-CA 127.692 2.397 . . . . 0.0 105.832 -171.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.3 p -58.76 156.62 23.56 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 125.346 1.458 . . . . 0.0 111.656 -170.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.36 -27.15 80.33 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.555 2.17 . . . . 0.0 114.361 -173.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 16.6 t90 -59.41 -66.77 0.46 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.335 1.054 . . . . 0.0 110.315 173.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 18.8 p -65.01 -27.89 69.13 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 118.97 0.805 . . . . 0.0 111.588 176.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.54 -33.76 73.15 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 118.717 -1.193 . . . . 0.0 110.108 177.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 20.6 m -78.52 -46.71 18.9 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.667 1.587 . . . . 0.0 111.904 172.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.483 1.181 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -166.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo . . . . . 0 CA--C 1.537 0.67 0 N-CA-C 109.658 -0.939 . . . . 0.0 109.658 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -139.36 -65.81 0.47 Allowed 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 125.362 1.465 . . . . 0.0 108.526 -159.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.42 87.1 0.02 OUTLIER 'General case' 0 C--O 1.231 0.128 0 C-N-CA 125.613 1.565 . . . . 0.0 113.072 -174.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -122.76 165.97 15.71 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.056 0.942 . . . . 0.0 110.182 -169.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -142.65 96.74 2.99 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 122.903 0.481 . . . . 0.0 110.013 -158.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 39.6 mt -84.0 103.44 11.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 175.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 tt -66.84 116.55 7.84 Favored 'General case' 0 N--CA 1.45 -0.466 0 O-C-N 120.509 -1.369 . . . . 0.0 108.587 173.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 13.6 t -124.98 -174.25 3.0 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.898 1.679 . . . . 0.0 108.864 175.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 28.9 m -113.77 162.23 12.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 158.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . 0.41 ' SG ' ' SG ' ' B' ' 52' ' ' CYS . 49.5 t -65.29 126.09 27.09 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 161.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 4.7 t -58.46 -28.58 65.46 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -178.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.87 -19.92 6.01 Favored 'General case' 0 C--N 1.343 0.287 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -170.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 18.5 m -89.36 -15.32 33.6 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 119.358 0.981 . . . . 0.0 112.064 166.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 32.0 t0 42.58 56.23 3.91 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.468 1.907 . . . . 0.0 111.924 -172.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -127.38 151.48 18.45 Favored Glycine 0 C--N 1.337 0.6 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 174.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -64.8 129.69 40.71 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 126.073 1.749 . . . . 0.0 109.298 -174.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 13.2 mt -129.45 143.82 39.98 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.19 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 171.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -110.48 86.95 2.41 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 76.0 mt -69.58 98.51 1.16 Allowed 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 114.5 -1.227 . . . . 0.0 108.715 -162.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 57.8 m -88.22 93.49 9.52 Favored 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 -169.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 29.8 m -106.1 123.16 60.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 104.843 -2.28 . . . . 0.0 104.843 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -88.42 98.28 11.53 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 103.088 -2.931 . . . . 0.0 103.088 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 45.3 m -153.25 138.92 17.86 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 124.104 0.962 . . . . 0.0 111.032 -158.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 47.5 m -60.44 141.61 56.17 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 175.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.41 -40.05 58.54 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -167.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -92.46 -10.88 36.28 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.958 0.885 . . . . 0.0 113.368 -175.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -79.63 -35.96 38.65 Favored 'General case' 0 N--CA 1.44 -0.964 0 C-N-CA 124.969 1.308 . . . . 0.0 108.429 167.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.2 -47.09 86.6 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.426 1.091 . . . . 0.0 109.705 165.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -57.69 -49.96 74.78 Favored 'General case' 0 CA--C 1.514 -0.405 0 C-N-CA 125.304 1.442 . . . . 0.0 108.027 177.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 88.4 m -55.77 -52.06 65.26 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.325 0.65 . . . . 0.0 109.677 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -28.32 69.45 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 118.47 0.577 . . . . 0.0 111.977 178.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -67.9 -32.82 73.56 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 120.581 -1.324 . . . . 0.0 109.715 171.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -68.32 -34.55 76.33 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 119.594 1.088 . . . . 0.0 109.597 172.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 23.9 mt -59.83 -41.07 90.52 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.822 167.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -59.65 -45.13 92.95 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.8 1.182 . . . . 0.0 110.425 174.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 60.8 mt -65.35 -20.32 66.34 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 175.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 8.4 t -80.8 -77.64 0.2 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.17 1.788 . . . . 0.0 110.906 172.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.3 p -143.68 1.64 1.18 Allowed 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 -172.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.01 148.31 22.29 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 122.303 1.049 . . . . 0.0 112.609 -172.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.7 p -147.87 178.53 8.43 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 130.025 3.33 . . . . 0.0 107.776 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -135.86 158.29 44.76 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 120.137 -1.602 . . . . 0.0 110.12 176.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 5.1 t -140.32 104.89 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.162 0 C-N-CA 126.407 1.883 . . . . 0.0 107.138 -171.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 2.7 p -58.01 156.33 20.32 Favored Pre-proline 0 CA--C 1.538 0.509 0 C-N-CA 124.142 0.977 . . . . 0.0 112.221 -173.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.41 -22.44 58.65 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 122.169 1.912 . . . . 0.0 113.974 178.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -57.22 -67.69 0.3 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.763 1.225 . . . . 0.0 110.035 170.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.41 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 1.8 p -66.54 -23.89 66.29 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 119.121 0.873 . . . . 0.0 112.535 177.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.09 95.31 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 118.35 -1.34 . . . . 0.0 109.767 174.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 22.0 m -76.9 -47.38 21.3 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.984 1.713 . . . . 0.0 111.627 178.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.69 -55.28 5.12 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.406 1.082 . . . . 0.0 111.69 -173.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 . . . . . 0 C--O 1.252 1.235 1 C-N-CA 134.22 5.008 . . . . 0.0 108.225 -160.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 . . . . . 0 N--CA 1.431 -1.393 0 CA-C-O 116.529 -1.7 . . . . 0.0 111.948 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.8 ttm-85 -59.13 84.98 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 121.158 1.799 . . . . 0.0 111.785 -176.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -120.89 165.7 14.83 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.298 1.039 . . . . 0.0 109.321 -169.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.26 97.67 3.54 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.428 0.691 . . . . 0.0 109.523 -164.264 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.4 mt -83.51 96.6 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 172.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.9 tt -64.47 113.33 3.6 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 169.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.1 t -122.69 -169.66 1.95 Allowed 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 124.953 1.301 . . . . 0.0 108.534 171.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.2 m -121.07 156.38 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 165.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 30.6 t -66.72 125.29 25.36 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 170.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 37.3 t -48.89 -35.79 15.61 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.192 1.397 . . . . 0.0 112.78 -177.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -115.51 -11.3 11.8 Favored 'General case' 0 C--N 1.342 0.269 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -173.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.8 m -103.27 -15.1 16.08 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 119.6 1.091 . . . . 0.0 112.397 173.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.7 t0 49.47 29.01 2.67 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.481 1.912 . . . . 0.0 112.454 -168.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.57 143.46 16.73 Favored Glycine 0 C--N 1.34 0.785 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 -177.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -62.45 115.87 4.6 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 126.615 1.966 . . . . 0.0 109.259 -175.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.7 mt -118.65 119.12 60.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 172.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -84.1 85.78 7.3 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.991 0.916 . . . . 0.0 108.609 170.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.2 mt -68.85 97.48 0.84 Allowed 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 123.827 0.851 . . . . 0.0 108.891 -170.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.9 m -82.51 108.33 15.83 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 -177.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.5 m -125.1 120.43 58.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 N-CA-C 104.512 -2.403 . . . . 0.0 104.512 177.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -77.99 95.27 4.78 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 172.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -154.57 157.68 38.63 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 121.191 0.52 . . . . 0.0 110.732 169.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.9 m -54.51 148.63 11.83 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.482 1.513 . . . . 0.0 110.495 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.58 -43.74 76.27 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.676 -0.64 . . . . 0.0 112.245 -171.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -82.18 -20.56 37.58 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.628 -0.67 . . . . 0.0 112.695 -176.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -67.54 -46.33 73.09 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 168.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.48 -36.72 74.18 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.159 1.783 . . . . 0.0 111.705 172.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -73.24 -44.38 59.57 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 127.305 2.242 . . . . 0.0 109.525 -178.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.2 m -56.71 -46.31 81.32 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 172.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.81 -37.19 75.82 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.495 1.518 . . . . 0.0 112.412 171.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -64.03 -33.67 76.28 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 119.851 -1.78 . . . . 0.0 110.085 172.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -70.88 -30.14 66.43 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.413 -0.805 . . . . 0.0 110.245 172.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.3 mt -65.21 -32.82 74.69 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.095 0.861 . . . . 0.0 112.167 169.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -62.91 -48.51 78.66 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.444 1.02 . . . . 0.0 110.181 168.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.8 mt -64.18 -24.87 67.83 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.5 t -68.42 -83.56 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 127.578 2.351 . . . . 0.0 109.594 167.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.0 p -139.86 -15.03 1.04 Allowed 'General case' 0 C--N 1.344 0.348 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -177.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 tt -72.79 144.72 47.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 122.801 1.286 . . . . 0.0 112.81 -163.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.6 m -147.33 164.76 32.25 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 158.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -109.94 149.93 29.21 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -173.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . 0.301 2.2 t -138.84 103.49 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.093 0 C-N-CA 126.03 1.732 . . . . 0.0 107.375 -171.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.8 p -56.67 142.55 71.02 Favored Pre-proline 0 CA--C 1.534 0.358 0 C-N-CA 125.328 1.451 . . . . 0.0 109.808 -171.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -59.45 -28.1 86.67 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 121.595 1.53 . . . . 0.0 113.449 -168.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 37.7 t90 -56.59 -64.5 0.85 Allowed 'General case' 0 C--O 1.235 0.323 0 C-N-CA 124.874 1.269 . . . . 0.0 110.583 171.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 14.1 p -66.01 -30.68 71.27 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 118.24 0.473 . . . . 0.0 110.592 -178.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.37 -37.61 88.11 Favored 'General case' 0 N--CA 1.442 -0.851 0 O-C-N 123.139 0.274 . . . . 0.0 111.165 -177.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 31.3 m -75.83 -47.02 27.33 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.71 1.604 . . . . 0.0 110.397 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 . . . . . 0 N--CA 1.468 0.469 0 C-N-CA 123.052 0.541 . . . . 0.0 111.165 -176.144 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo . . . . . 0 CA--C 1.541 0.855 0 CA-C-O 121.201 0.417 . . . . 0.0 112.85 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 15.5 mp0 -127.52 -52.43 1.37 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.958 1.703 . . . . 0.0 109.872 176.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.54 91.39 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.558 1.526 . . . . 0.0 110.539 -176.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 47.9 m170 -124.95 162.6 24.12 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.953 0.901 . . . . 0.0 109.543 -170.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.42 96.93 3.26 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -161.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 57.7 mt -83.16 95.32 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 105.665 -1.976 . . . . 0.0 105.665 170.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt -62.93 111.89 2.34 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 167.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 t -120.83 -172.22 2.34 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 124.981 1.313 . . . . 0.0 108.156 171.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 15.4 m -123.34 156.97 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 167.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 26.9 t -64.3 121.78 15.11 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 168.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 5.5 t -56.47 -19.15 13.92 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.507 1.123 . . . . 0.0 113.318 -171.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -125.83 -19.07 4.97 Favored 'General case' 0 C--N 1.342 0.27 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -171.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 14.5 p -114.99 0.38 13.66 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 120.224 1.375 . . . . 0.0 112.841 171.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 23.1 t0 56.61 21.48 5.81 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.589 1.956 . . . . 0.0 113.07 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.22 142.01 26.72 Favored Glycine 0 C--N 1.34 0.758 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -66.84 118.08 9.84 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 125.814 1.646 . . . . 0.0 109.294 -176.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 2.2 mt -125.17 112.76 32.66 Favored 'Isoleucine or valine' 0 C--N 1.341 0.203 0 CA-C-N 118.604 0.638 . . . . 0.0 109.498 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -83.52 83.96 7.7 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 171.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 46.6 mt -67.89 96.75 0.61 Allowed 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.05 0.94 . . . . 0.0 108.54 -170.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 33.5 m -87.01 100.1 12.37 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -175.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 m -106.73 117.14 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 103.085 -2.931 . . . . 0.0 103.085 176.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -84.59 96.77 9.28 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 104.715 -2.328 . . . . 0.0 104.715 175.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.6 t -157.31 156.55 32.59 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 123.199 0.6 . . . . 0.0 110.14 176.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.1 m -51.75 143.4 13.0 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 125.426 1.491 . . . . 0.0 110.093 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.36 -37.42 64.91 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -168.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -92.85 -15.43 26.47 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -175.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.93 -44.06 90.71 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 161.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -40.51 95.08 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.959 1.304 . . . . 0.0 111.838 173.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -65.73 -45.3 83.15 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 126.668 1.987 . . . . 0.0 109.06 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 27.9 m -56.49 -46.56 80.42 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 173.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -35.62 74.08 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.959 1.304 . . . . 0.0 112.586 172.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -66.72 -31.67 72.48 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 119.955 -1.716 . . . . 0.0 110.331 172.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -71.42 -30.14 65.72 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.098 -1.001 . . . . 0.0 109.846 171.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 81.6 mt -67.52 -30.61 70.32 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.726 0.694 . . . . 0.0 111.974 170.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -62.53 -50.89 69.57 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.459 1.027 . . . . 0.0 109.937 166.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 54.6 mt -62.76 -25.75 68.36 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 5.7 t -67.74 -83.56 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 127.284 2.234 . . . . 0.0 109.625 167.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 69.8 p -139.5 -15.81 1.06 Allowed 'General case' 0 C--N 1.345 0.389 0 N-CA-C 115.902 1.816 . . . . 0.0 115.902 -177.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 tt -69.92 143.14 52.81 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 122.86 1.314 . . . . 0.0 112.479 -164.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.0 m -147.6 168.43 22.03 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 125.289 1.436 . . . . 0.0 107.655 159.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -115.32 157.32 23.99 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 122.242 1.02 . . . . 0.0 108.672 -171.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.08 116.65 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.999 0 C-N-CA 126.098 1.759 . . . . 0.0 107.419 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 14.0 p -60.01 155.73 41.85 Favored Pre-proline 0 CA--C 1.536 0.42 0 C-N-CA 123.497 0.719 . . . . 0.0 110.165 -175.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -59.06 -26.08 80.32 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 121.72 1.614 . . . . 0.0 113.153 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 81.9 t90 -61.84 -48.22 81.53 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 118.763 -0.637 . . . . 0.0 111.249 171.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 32.0 m -73.05 -29.49 63.02 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 118.833 0.742 . . . . 0.0 112.117 175.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.25 -32.57 73.28 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.342 0.974 . . . . 0.0 110.866 170.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 28.1 m -84.46 -43.03 15.0 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.64 1.176 . . . . 0.0 111.912 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -121.32 -16.65 7.85 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -165.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 C--O 1.253 1.277 0 C-N-CA 126.865 2.066 . . . . 0.0 111.866 -158.794 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . 0.256 1.4 mp0 . . . . . 0 N--CA 1.441 -0.897 0 CA-C-O 117.615 -1.183 . . . . 0.0 109.919 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.73 92.17 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.38 1.872 . . . . 0.0 111.518 177.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -127.37 150.59 49.54 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 121.326 -0.859 . . . . 0.0 109.731 -174.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -131.06 95.3 3.77 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 122.908 0.483 . . . . 0.0 111.318 -158.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.5 mt -86.39 99.0 7.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tt -66.34 112.93 4.26 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 120.185 -1.572 . . . . 0.0 108.835 173.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.5 t -131.63 -162.15 1.2 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.183 0.993 . . . . 0.0 110.656 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.0 m -125.8 155.01 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.537 1.135 . . . . 0.0 108.923 170.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.444 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 38.5 t -73.17 133.41 44.05 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 124.055 0.942 . . . . 0.0 108.826 170.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.3 t -51.01 -41.12 59.57 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.0 0.92 . . . . 0.0 112.272 171.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.09 -12.34 2.85 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -159.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.0 m -82.23 -16.71 48.64 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.94 158.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.2 t0 43.34 64.14 1.32 Allowed 'General case' 0 C--N 1.346 0.429 0 C-N-CA 126.35 1.86 . . . . 0.0 111.108 -169.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.84 156.59 26.77 Favored Glycine 0 C--N 1.337 0.584 0 N-CA-C 110.421 -1.072 . . . . 0.0 110.421 -175.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.0 133.6 52.05 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 125.551 1.54 . . . . 0.0 109.394 -178.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.3 mt -123.3 151.08 27.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 167.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -116.15 84.28 2.09 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 175.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.7 mt -70.59 90.68 0.76 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.212 -1.358 . . . . 0.0 109.491 -161.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.2 m -86.98 88.27 7.66 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 -175.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.5 m -92.69 174.19 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 169.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -134.04 94.56 3.27 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 103.942 -2.614 . . . . 0.0 103.942 -172.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.4 m -151.2 150.6 30.81 Favored 'General case' 0 C--O 1.22 -0.496 0 O-C-N 120.08 -1.637 . . . . 0.0 110.417 -158.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.0 m -70.6 156.26 39.66 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 121.726 2.057 . . . . 0.0 108.7 171.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.1 -45.38 87.3 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.615 1.098 . . . . 0.0 113.025 -171.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -76.75 -19.42 57.65 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 121.659 0.742 . . . . 0.0 111.776 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -81.91 -38.36 25.43 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.457 1.503 . . . . 0.0 108.966 178.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 tt -57.99 -44.41 87.17 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 126.068 1.747 . . . . 0.0 109.775 164.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -64.31 -43.43 94.71 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 123.852 0.861 . . . . 0.0 109.933 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 85.3 m -56.7 -50.11 73.13 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 175.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.34 -23.69 64.73 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.295 -0.878 . . . . 0.0 112.516 176.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -67.7 -32.35 72.94 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 120.461 -1.399 . . . . 0.0 109.912 168.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -69.81 -35.42 74.81 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.066 -1.021 . . . . 0.0 109.781 171.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.9 mt -62.49 -29.38 70.5 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 118.762 0.71 . . . . 0.0 112.105 169.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.59 -50.13 68.41 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.033 1.733 . . . . 0.0 110.123 171.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 70.5 mt -66.71 -25.74 66.67 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.157 0.983 . . . . 0.0 112.43 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.9 t -66.81 -82.36 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 127.037 2.135 . . . . 0.0 109.557 170.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.9 p -138.93 -15.59 1.14 Allowed 'General case' 0 C--N 1.344 0.334 0 N-CA-C 116.137 1.903 . . . . 0.0 116.137 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.9 tt -72.28 109.06 5.76 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -166.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 p -96.7 176.44 6.0 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.249 1.02 . . . . 0.0 108.597 159.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -127.96 142.54 51.22 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.229 1.011 . . . . 0.0 110.733 -173.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.8 t -141.63 83.98 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.933 0 C-N-CA 126.493 1.917 . . . . 0.0 106.776 -163.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.0 p -55.37 159.21 4.71 Favored Pre-proline 0 N--CA 1.474 0.751 0 C-N-CA 127.047 2.139 . . . . 0.0 112.22 -176.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -58.5 -25.77 75.5 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 122.379 2.053 . . . . 0.0 115.107 -170.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -58.47 -63.68 1.19 Allowed 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.325 1.05 . . . . 0.0 110.302 172.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.444 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 5.6 p -69.54 -24.13 63.68 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 119.161 0.891 . . . . 0.0 112.268 174.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.35 -39.18 78.83 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 118.192 -1.403 . . . . 0.0 109.612 176.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.7 m -74.62 -61.86 1.73 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 127.094 2.158 . . . . 0.0 111.357 173.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 m120 . . . . . 0 N--CA 1.477 0.889 0 C-N-CA 124.948 1.299 . . . . 0.0 113.341 -167.549 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo . . . . . 0 CA--C 1.538 0.724 0 CA-C-O 121.489 0.537 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 17.5 mp0 -127.78 -57.52 1.26 Allowed 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 126.126 1.771 . . . . 0.0 109.02 172.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.36 88.37 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 126.051 1.74 . . . . 0.0 112.101 179.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 58.6 m170 -124.62 161.26 26.63 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 125.136 1.374 . . . . 0.0 110.189 -167.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -136.79 90.18 2.52 Favored 'General case' 0 C--N 1.337 0.062 0 C-N-CA 124.134 0.974 . . . . 0.0 108.976 -160.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 18.9 mt -84.8 101.83 9.87 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.22 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 175.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 tt -65.69 116.35 6.82 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 120.597 -1.315 . . . . 0.0 108.355 171.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 3.7 t -131.25 -166.75 1.75 Allowed 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 126.734 2.014 . . . . 0.0 108.043 176.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 19.7 m -126.51 157.91 36.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-O 121.464 0.65 . . . . 0.0 110.093 169.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . 0.408 ' HB3' ' SG ' ' B' ' 19' ' ' CYS . 47.7 t -66.62 102.63 0.94 Allowed 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 161.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 15.0 t -50.19 -34.07 21.38 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.636 1.174 . . . . 0.0 112.934 -171.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -87.54 -16.96 33.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 125.248 1.419 . . . . 0.0 113.616 -174.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . 0.408 ' SG ' ' HB3' ' B' ' 16' ' ' CYS . 1.4 p -129.21 -0.55 5.14 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -179.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 21.8 t0 55.27 19.02 2.74 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 128.257 2.623 . . . . 0.0 113.576 -174.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.0 142.3 26.25 Favored Glycine 0 C--N 1.34 0.777 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 -177.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -64.36 122.27 16.29 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 125.798 1.639 . . . . 0.0 108.934 -176.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 5.8 mt -127.29 120.27 54.61 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 171.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -81.32 87.4 6.15 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 107.559 -1.275 . . . . 0.0 107.559 166.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 56.4 mt -65.33 97.31 0.27 Allowed 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 -172.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 81.7 m -92.75 92.31 7.9 Favored 'General case' 0 N--CA 1.435 -1.21 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 -171.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 11.4 m -115.52 139.11 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 -175.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -112.33 79.89 1.27 Allowed 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 105.899 -1.889 . . . . 0.0 105.899 -159.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -150.71 154.59 37.69 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.229 0.538 . . . . 0.0 111.176 -174.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.9 m -50.2 141.4 11.43 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 126.316 1.846 . . . . 0.0 109.665 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.54 -37.57 65.56 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -166.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -84.3 -25.53 29.22 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.619 0.645 . . . . 0.0 112.725 -176.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -67.41 -45.5 75.97 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.587 1.155 . . . . 0.0 108.249 169.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.5 -44.22 93.15 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 125.131 1.372 . . . . 0.0 111.321 172.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -60.7 -46.11 91.65 Favored 'General case' 0 CA--C 1.51 -0.559 0 C-N-CA 127.006 2.122 . . . . 0.0 108.983 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 33.8 m -56.75 -50.47 72.17 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 175.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.7 -40.84 63.34 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.657 1.183 . . . . 0.0 111.457 170.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -68.89 -30.55 69.07 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 120.453 -1.404 . . . . 0.0 110.589 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -67.85 -36.61 80.62 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 119.08 0.855 . . . . 0.0 109.511 172.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 17.6 mt -57.1 -45.6 83.25 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-O 118.843 -0.599 . . . . 0.0 109.953 169.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -63.03 -42.65 99.83 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.02 0.827 . . . . 0.0 111.314 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 41.7 mt -64.6 -27.43 68.94 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.657 0.783 . . . . 0.0 111.866 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 7.3 t -83.08 -65.34 1.02 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.902 1.681 . . . . 0.0 112.298 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -143.93 -16.03 0.61 Allowed 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 -158.003 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mp -104.19 152.8 21.72 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -163.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -141.4 178.17 7.61 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.544 2.338 . . . . 0.0 109.657 174.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -133.68 164.54 26.97 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 124.337 1.055 . . . . 0.0 108.756 178.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -133.93 118.38 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.123 0 C-N-CA 125.89 1.676 . . . . 0.0 109.061 -174.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 23.7 p -65.22 150.01 96.17 Favored Pre-proline 0 CA--C 1.538 0.482 0 O-C-N 121.494 -0.754 . . . . 0.0 109.686 178.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.16 -29.31 45.43 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.397 2.065 . . . . 0.0 114.62 -178.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 19.9 t90 -58.52 -69.65 0.18 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.144 1.378 . . . . 0.0 110.013 172.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 69.6 m -66.59 -26.91 67.33 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.506 0.722 . . . . 0.0 112.879 -175.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.48 -53.98 51.9 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 124.312 1.045 . . . . 0.0 110.502 171.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 28.9 m -69.73 -47.52 62.78 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.737 1.215 . . . . 0.0 110.485 -177.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -75.03 -29.73 60.88 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 118.15 -0.929 . . . . 0.0 111.867 -172.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.251 1.137 0 CA-C-O 115.298 -2.286 . . . . 0.0 109.801 -159.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 . . . . . 0 N--CA 1.45 -0.44 0 CA-C-O 118.218 -0.896 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.486 ' HE ' ' CG2' ' A' ' 26' ' ' THR . 0.1 OUTLIER -57.35 100.81 0.05 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.714 1.143 . . . . 0.0 108.981 177.745 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -133.44 147.24 51.69 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.849 0.86 . . . . 0.0 110.395 -170.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -129.87 95.95 4.09 Favored 'General case' 0 CA--C 1.509 -0.628 0 C-N-CA 123.582 0.753 . . . . 0.0 111.129 -158.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.0 mt -87.08 94.59 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 N-CA-C 105.482 -2.044 . . . . 0.0 105.482 167.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.0 tt -63.66 104.61 0.68 Allowed 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 162.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -116.2 -170.06 1.73 Allowed 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.25 1.02 . . . . 0.0 109.27 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.3 m -124.2 155.07 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 124.077 0.951 . . . . 0.0 109.453 175.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.427 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 16.7 t -75.33 136.12 40.84 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.934 -174.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.7 t -50.75 -48.99 58.99 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 124.889 1.276 . . . . 0.0 111.688 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -101.77 -17.24 16.33 Favored 'General case' 0 C--N 1.341 0.207 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -164.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.6 p -133.08 2.26 3.6 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -174.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.4 t0 55.27 16.07 1.55 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.615 1.966 . . . . 0.0 113.734 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.64 148.33 38.37 Favored Glycine 0 C--N 1.339 0.706 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 -176.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -61.75 125.99 25.76 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 177.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.6 mt -125.1 111.58 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 171.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.41 102.77 2.72 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 163.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.2 mt -84.09 82.75 8.22 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 176.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.486 ' CG2' ' HE ' ' A' ' 9' ' ' ARG . 96.7 m -69.57 93.42 0.69 Allowed 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 159.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 m -88.58 162.6 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 N-CA-C 103.695 -2.706 . . . . 0.0 103.695 158.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -127.08 101.06 6.37 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 119.938 -1.727 . . . . 0.0 106.647 176.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -167.57 162.7 14.42 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 122.909 0.483 . . . . 0.0 110.492 169.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.4 m -49.41 145.97 4.29 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.627 1.571 . . . . 0.0 110.894 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.29 -37.26 67.1 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -166.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -79.53 -25.67 41.65 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.914 0.886 . . . . 0.0 113.103 -178.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -68.6 -45.98 70.52 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 171.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tt -57.41 -44.59 84.7 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 124.439 1.096 . . . . 0.0 111.032 171.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -62.33 -42.72 99.61 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 125.421 1.488 . . . . 0.0 109.377 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.4 m -59.48 -47.47 85.37 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 174.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.31 -40.0 64.45 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.497 1.119 . . . . 0.0 111.442 169.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -70.11 -30.15 67.27 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 120.609 -1.307 . . . . 0.0 110.158 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -70.28 -35.32 73.66 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 119.152 0.887 . . . . 0.0 109.681 172.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.9 mt -64.44 -30.79 71.82 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 118.396 0.543 . . . . 0.0 111.304 169.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.3 -47.18 74.41 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.079 1.352 . . . . 0.0 110.59 172.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.3 mt -68.0 -26.96 66.16 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.39 1.076 . . . . 0.0 112.185 176.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.9 t -65.62 -77.9 0.06 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 127.562 2.345 . . . . 0.0 109.87 171.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.2 p -139.49 -25.37 0.84 Allowed 'General case' 0 C--N 1.343 0.297 0 N-CA-C 115.413 1.634 . . . . 0.0 115.413 176.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 tt -63.92 114.17 3.92 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 120.839 0.352 . . . . 0.0 111.811 -163.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.0 m -101.24 167.86 9.93 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 160.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -124.08 149.6 45.97 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 -178.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . 0.277 2.1 t -139.48 108.41 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 C-N-CA 124.827 1.251 . . . . 0.0 109.005 -169.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 p -61.17 146.35 88.51 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 125.751 1.62 . . . . 0.0 110.092 -172.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -59.59 -26.95 83.72 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.21 1.94 . . . . 0.0 113.846 -170.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -56.79 -66.02 0.52 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.986 1.314 . . . . 0.0 110.37 170.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.427 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 3.0 p -71.82 -16.77 62.17 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 118.17 0.441 . . . . 0.0 112.02 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.77 -42.79 76.94 Favored 'General case' 0 N--CA 1.436 -1.127 0 C-N-CA 119.743 -0.783 . . . . 0.0 109.074 173.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.2 m -70.89 -46.53 62.42 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.694 1.597 . . . . 0.0 110.775 177.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 . . . . . 0 N--CA 1.471 0.605 0 C-N-CA 123.127 0.571 . . . . 0.0 112.52 -175.1 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo . . . . . 0 CA--C 1.541 0.871 0 CA-C-O 120.449 0.104 . . . . 0.0 112.225 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 16.4 mp0 -129.33 -53.48 1.18 Allowed 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 125.117 1.367 . . . . 0.0 110.083 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.28 95.55 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.142 1.377 . . . . 0.0 110.714 -175.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 42.4 m170 -128.57 163.46 24.96 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.8 0.84 . . . . 0.0 109.42 -168.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.59 94.63 2.94 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 123.985 0.914 . . . . 0.0 109.061 -165.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 33.0 mt -83.05 95.21 3.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.283 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 172.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 tt -63.1 109.1 1.4 Allowed 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 166.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 3.4 t -120.75 -172.88 2.47 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.023 0.929 . . . . 0.0 108.609 169.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.0 m -119.14 152.96 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 171.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . 0.418 ' SG ' ' HA ' ' B' ' 48' ' ' VAL . 11.9 t -69.05 132.59 46.87 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.057 -178.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 29.0 t -55.57 -40.48 72.01 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.373 1.069 . . . . 0.0 112.138 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.48 -11.7 15.44 Favored 'General case' 0 C--N 1.345 0.405 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -169.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 31.1 p -135.46 3.81 3.09 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 20.2 t0 57.06 16.82 3.08 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.31 1.844 . . . . 0.0 113.907 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.16 147.54 39.57 Favored Glycine 0 C--N 1.34 0.764 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 -177.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -66.69 114.83 5.9 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 125.387 1.475 . . . . 0.0 109.202 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 16.8 mt -120.89 109.64 25.91 Favored 'Isoleucine or valine' 0 C--N 1.34 0.171 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 176.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -78.65 82.41 4.89 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 124.231 1.013 . . . . 0.0 108.71 168.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 24.4 mt -64.45 96.49 0.17 Allowed 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.735 1.214 . . . . 0.0 108.13 -172.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 24.5 m -85.57 95.87 9.46 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 -177.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 m -114.57 124.96 71.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 103.146 -2.909 . . . . 0.0 103.146 -178.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -103.87 91.0 3.8 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 104.808 -2.293 . . . . 0.0 104.808 -169.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.7 t -153.18 156.37 38.44 Favored 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 124.322 1.049 . . . . 0.0 110.248 -176.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.9 m -51.87 141.56 17.19 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.953 1.301 . . . . 0.0 109.916 176.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.12 -34.49 63.77 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -165.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -97.16 -16.56 20.38 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -174.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -62.52 -45.21 94.04 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 159.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.0 -42.15 98.84 Favored 'General case' 0 C--O 1.222 -0.358 0 C-N-CA 125.156 1.382 . . . . 0.0 111.915 174.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -63.95 -45.46 89.05 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 126.47 1.908 . . . . 0.0 109.222 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 30.3 m -56.14 -48.63 75.89 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 174.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.45 -38.49 69.11 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.753 1.221 . . . . 0.0 111.953 171.132 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -68.09 -30.12 69.23 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 120.224 -1.548 . . . . 0.0 110.312 176.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -70.56 -33.95 71.68 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 118.941 0.791 . . . . 0.0 109.837 172.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 40.7 mt -61.26 -39.53 90.72 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 118.478 0.581 . . . . 0.0 110.693 170.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . 0.423 ' CE1' ' HA ' ' B' ' 46' ' ' SER . 3.0 m-85 -61.09 -51.75 67.8 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.472 0.709 . . . . 0.0 110.142 172.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 37.4 mt -62.17 -30.45 71.07 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.934 0.894 . . . . 0.0 111.976 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 13.8 t -67.02 -66.88 0.5 Allowed 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 125.513 1.525 . . . . 0.0 110.536 170.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -152.15 -38.93 0.11 Allowed 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -158.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.8 tt -71.93 152.77 42.28 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 122.5 1.143 . . . . 0.0 112.511 -163.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' SER . . . . . 0.423 ' HA ' ' CE1' ' B' ' 41' ' ' PHE . 57.9 m -145.2 -179.19 6.47 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.029 -1.044 . . . . 0.0 109.368 164.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -127.13 156.72 41.32 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.391 1.076 . . . . 0.0 108.242 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . 0.418 ' HA ' ' SG ' ' B' ' 16' ' ' CYS 0.325 0.5 OUTLIER -141.11 109.29 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -179.666 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 3.1 p -60.18 144.1 87.76 Favored Pre-proline 0 CA--C 1.535 0.37 0 C-N-CA 125.627 1.571 . . . . 0.0 110.532 -169.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.51 -28.53 86.84 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 121.688 1.592 . . . . 0.0 113.933 -167.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -57.04 -64.23 0.95 Allowed 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 172.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 1.3 p -65.97 -27.5 68.2 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 122.929 0.492 . . . . 0.0 110.971 -175.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.51 -18.24 55.05 Favored 'General case' 0 N--CA 1.442 -0.834 0 O-C-N 124.394 1.059 . . . . 0.0 111.827 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 27.7 m -90.48 -38.58 13.14 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.059 1.344 . . . . 0.0 110.783 169.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -62.59 -36.9 84.19 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.018 0.826 . . . . 0.0 110.488 172.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.256 1.406 0 C-N-CA 128.75 2.82 . . . . 0.0 115.963 158.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.3 mp0 . . . . . 0 N--CA 1.451 -0.382 0 CA-C-O 118.263 -0.875 . . . . 0.0 109.213 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.54 94.9 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.578 1.151 . . . . 0.0 110.602 -176.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 45.4 m170 -127.1 167.64 15.71 Favored 'General case' 0 C--N 1.34 0.159 0 CA-C-N 118.429 0.559 . . . . 0.0 110.567 -170.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -142.85 97.52 3.12 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 124.805 1.242 . . . . 0.0 109.189 -161.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.9 mt -85.5 94.25 3.97 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.319 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 168.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 tt -66.62 111.82 3.84 Favored 'General case' 0 N--CA 1.446 -0.643 0 O-C-N 120.438 -1.414 . . . . 0.0 108.69 169.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 t -120.11 -173.24 2.51 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 123.81 0.844 . . . . 0.0 109.124 167.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.8 m -121.24 153.45 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 167.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 14.0 t -69.0 131.0 44.37 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.002 -175.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.3 t -57.67 -36.14 71.51 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.082 0.553 . . . . 0.0 111.96 -173.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -111.12 -11.15 14.29 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -166.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 30.5 p -139.45 4.11 2.16 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.3 t0 57.74 17.4 4.11 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.941 2.097 . . . . 0.0 114.302 175.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.64 148.02 39.55 Favored Glycine 0 C--N 1.339 0.749 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -66.39 113.6 4.78 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 124.785 1.234 . . . . 0.0 108.98 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.3 mt -116.7 105.66 18.72 Favored 'Isoleucine or valine' 0 C--N 1.341 0.232 0 CA-C-O 121.914 0.864 . . . . 0.0 109.209 177.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -80.01 84.75 5.7 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.341 1.056 . . . . 0.0 108.803 169.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.8 mt -68.86 93.5 0.55 Allowed 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.572 0.749 . . . . 0.0 109.116 -171.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.4 m -87.7 98.84 11.67 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 -173.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.3 m -121.04 117.37 52.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 N-CA-C 104.205 -2.517 . . . . 0.0 104.205 -178.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -79.14 105.87 10.77 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 174.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.69 155.76 26.61 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 118.213 0.46 . . . . 0.0 111.449 168.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.2 m -51.86 141.55 17.19 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.929 1.292 . . . . 0.0 109.903 176.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.53 -35.47 63.24 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -166.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -85.13 -25.52 27.44 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -67.18 -44.21 80.23 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 169.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 tt -57.6 -48.97 77.94 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 124.681 1.193 . . . . 0.0 110.677 170.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -56.67 -47.35 80.0 Favored 'General case' 0 CA--C 1.51 -0.568 0 C-N-CA 125.417 1.487 . . . . 0.0 109.191 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.7 m -57.01 -48.28 78.85 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 124.177 0.923 . . . . 0.0 109.248 177.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.62 -36.04 73.42 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.969 -0.457 . . . . 0.0 110.986 172.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -71.63 -24.93 61.96 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.82 -1.175 . . . . 0.0 111.12 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -71.88 -37.85 70.09 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 119.066 0.848 . . . . 0.0 109.45 170.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.7 mt -60.59 -35.1 75.27 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.669 0.668 . . . . 0.0 110.607 169.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.67 -48.44 77.19 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 125.13 1.372 . . . . 0.0 110.415 174.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.4 mt -63.47 -33.16 74.97 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.735 0.814 . . . . 0.0 112.063 176.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.1 t -74.78 -62.21 1.61 Allowed 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 125.881 1.672 . . . . 0.0 112.106 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.18 -35.11 0.44 Allowed 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -158.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.5 tt -89.36 143.56 26.73 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.638 0.775 . . . . 0.0 112.222 -161.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 p -127.97 -179.6 5.06 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 128.578 2.751 . . . . 0.0 108.38 168.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.48 155.27 47.66 Favored 'General case' 0 C--O 1.237 0.417 0 O-C-N 120.881 -1.137 . . . . 0.0 111.751 -177.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.9 t -145.66 98.73 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 C-N-CA 126.814 2.045 . . . . 0.0 107.493 -162.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.5 p -58.92 153.79 41.83 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 125.776 1.631 . . . . 0.0 110.486 -175.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -60.81 -25.24 80.8 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 122.155 1.903 . . . . 0.0 113.812 -174.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 14.4 t90 -56.59 -68.23 0.23 Allowed 'General case' 0 C--N 1.341 0.237 0 C-N-CA 125.076 1.35 . . . . 0.0 109.805 172.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 29.2 p -66.63 -27.19 67.49 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 118.41 0.55 . . . . 0.0 111.555 179.098 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.4 -38.19 86.18 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 118.77 -1.172 . . . . 0.0 110.255 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.9 m -75.35 -48.78 21.48 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.361 1.865 . . . . 0.0 111.329 175.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 . . . . . 0 N--CA 1.474 0.774 0 C-N-CA 124.157 0.983 . . . . 0.0 113.006 -170.878 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo . . . . . 0 CA--C 1.539 0.76 0 CA-C-O 121.125 0.386 . . . . 0.0 111.919 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -127.38 -58.95 1.25 Allowed 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.465 1.506 . . . . 0.0 109.593 176.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.17 95.99 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.198 1.399 . . . . 0.0 110.294 177.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 56.9 m170 -131.35 144.4 51.21 Favored 'General case' 0 C--O 1.227 -0.107 0 C-N-CA 124.495 1.118 . . . . 0.0 109.398 -165.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -124.02 88.49 2.92 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 124.668 1.187 . . . . 0.0 109.76 -158.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 14.5 mt -84.35 102.27 10.06 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.207 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt -68.39 115.07 7.4 Favored 'General case' 0 N--CA 1.446 -0.653 0 O-C-N 120.942 -1.099 . . . . 0.0 108.817 175.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 14.5 t -125.73 -172.79 2.68 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.568 1.947 . . . . 0.0 108.555 178.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 20.6 m -109.65 162.22 7.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 158.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . 0.428 ' SG ' ' SG ' ' B' ' 52' ' ' CYS . 38.4 t -64.28 131.85 48.53 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 161.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 35.9 t -51.31 -38.11 51.21 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.552 1.541 . . . . 0.0 111.828 178.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.18 -17.67 4.72 Favored 'General case' 0 C--N 1.343 0.314 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -171.007 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.1 m -83.76 -13.94 52.7 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.51 1.05 . . . . 0.0 110.95 167.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 25.9 t0 47.52 36.75 5.53 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.19 1.796 . . . . 0.0 111.994 -176.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -116.86 150.45 18.54 Favored Glycine 0 C--N 1.339 0.72 0 N-CA-C 108.804 -1.718 . . . . 0.0 108.804 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.36 132.16 47.72 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.78 0.832 . . . . 0.0 108.895 -172.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 44.2 mt -125.95 128.46 71.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 170.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -78.19 97.2 5.42 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 162.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.8 mt -73.03 90.99 1.54 Allowed 'General case' 0 C--O 1.234 0.263 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -178.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 22.0 m -79.63 97.16 6.41 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 172.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 1.3 m -93.79 176.69 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 N-CA-C 104.725 -2.324 . . . . 0.0 104.725 164.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -135.74 88.31 2.39 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 6.1 t -159.11 155.47 27.35 Favored 'General case' 0 C--N 1.343 0.298 0 O-C-N 121.135 -0.978 . . . . 0.0 111.48 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 18.3 m -53.33 144.48 16.26 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 125.127 1.371 . . . . 0.0 110.128 177.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.11 -33.37 57.54 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -163.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -99.21 -19.26 17.22 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -173.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -64.41 -42.97 95.79 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 159.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tt -61.89 -43.81 98.09 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 123.574 0.749 . . . . 0.0 111.55 174.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -56.9 -45.9 82.32 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 126.429 1.892 . . . . 0.0 109.015 175.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 22.2 m -58.3 -47.11 84.72 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 122.964 0.506 . . . . 0.0 109.652 174.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.31 -38.6 68.89 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.24 1.016 . . . . 0.0 111.516 170.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -70.16 -28.58 65.45 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 120.279 -1.513 . . . . 0.0 110.807 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -70.45 -34.41 72.41 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.179 -0.95 . . . . 0.0 109.58 171.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 67.6 mt -65.13 -30.13 71.03 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 118.84 -0.6 . . . . 0.0 111.354 169.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -64.26 -45.56 87.58 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.525 1.057 . . . . 0.0 110.622 169.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 64.7 mt -63.46 -25.81 68.44 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 175.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 6.4 t -69.56 -81.26 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.19 1.796 . . . . 0.0 109.937 168.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 35.5 p -144.69 -23.54 0.52 Allowed 'General case' 0 C--O 1.236 0.353 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 30.3 tp -54.86 113.73 1.45 Allowed 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 124.724 1.21 . . . . 0.0 110.449 -167.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 20.1 m -125.77 158.13 35.7 Favored 'General case' 0 N--CA 1.439 -0.991 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -116.32 145.22 43.35 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -172.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -131.48 118.3 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.204 0 C-N-CA 125.888 1.675 . . . . 0.0 108.521 175.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 p -63.43 158.68 56.25 Favored Pre-proline 0 CA--C 1.54 0.564 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.117 -177.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.79 -27.4 26.88 Favored 'Trans proline' 0 CA--C 1.545 1.048 0 C-N-CA 121.303 1.335 . . . . 0.0 115.49 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 15.7 t90 -61.51 -65.82 0.63 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.173 0.989 . . . . 0.0 110.874 175.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.428 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 0.8 OUTLIER -59.83 -35.0 73.82 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 118.658 0.663 . . . . 0.0 111.08 177.035 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.43 -39.01 78.66 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 119.328 -0.368 . . . . 0.0 111.43 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 25.6 m -80.95 -50.07 10.19 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.983 1.313 . . . . 0.0 111.098 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.43 -44.95 49.53 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.739 0.816 . . . . 0.0 111.97 -172.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 . . . . . 0 C--O 1.251 1.16 0 C-N-CA 126.454 1.902 . . . . 0.0 110.494 -159.752 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . 0.296 2.0 mp0 . . . . . 0 N--CA 1.442 -0.838 0 CA-C-O 116.464 -1.731 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.2 83.65 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 127.48 2.312 . . . . 0.0 112.507 179.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.9 m170 -121.62 161.0 23.22 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 123.981 0.913 . . . . 0.0 109.395 -173.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.01 94.31 2.8 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.505 0.722 . . . . 0.0 109.38 -163.109 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.7 mt -83.82 102.28 9.58 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.258 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 175.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 tt -66.68 108.92 2.64 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 120.954 -1.091 . . . . 0.0 108.934 170.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.2 t -117.37 -175.84 2.89 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 127.675 2.39 . . . . 0.0 107.4 176.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.4 m -109.7 159.55 9.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 158.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.7 t -66.88 138.33 57.22 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 164.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.1 t -49.32 -45.71 45.77 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.384 0.674 . . . . 0.0 112.321 173.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.28 -18.33 8.64 Favored 'General case' 0 C--O 1.226 -0.139 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -161.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 m -81.8 -18.87 42.53 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 118.44 -0.791 . . . . 0.0 111.173 163.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.3 t0 40.99 52.48 3.32 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 126.029 1.732 . . . . 0.0 110.869 -166.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.71 151.4 20.37 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 125.01 1.29 . . . . 0.0 110.308 -172.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -59.56 119.45 7.56 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 127.234 2.214 . . . . 0.0 109.329 -171.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 32.1 mt -123.34 119.63 58.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 167.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -77.56 88.47 3.88 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.064 1.346 . . . . 0.0 108.49 167.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.9 mt -67.58 97.13 0.58 Allowed 'General case' 0 C--O 1.235 0.319 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -173.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.5 m -85.47 94.2 8.94 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 -176.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 m -114.81 141.74 30.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 105.212 -2.144 . . . . 0.0 105.212 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -109.79 88.7 2.81 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 103.314 -2.847 . . . . 0.0 103.314 -166.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.2 m -146.4 153.8 40.89 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.359 -158.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.0 m -68.16 159.29 31.34 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 120.459 1.482 . . . . 0.0 109.209 176.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.19 -47.94 83.85 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.705 1.139 . . . . 0.0 112.046 -175.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -78.73 -24.48 44.83 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.064 0.459 . . . . 0.0 111.727 -176.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -70.84 -40.86 72.14 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.105 0.962 . . . . 0.0 109.446 171.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 tt -60.45 -43.48 96.83 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 124.972 1.309 . . . . 0.0 109.888 171.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -58.46 -53.54 57.19 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 175.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.0 m -53.55 -53.25 54.28 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 125.526 1.531 . . . . 0.0 110.258 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.97 -30.59 71.59 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.738 -0.601 . . . . 0.0 110.766 179.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -70.58 -27.27 63.98 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 120.88 -1.137 . . . . 0.0 110.882 172.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -67.36 -35.65 79.79 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 120.305 1.411 . . . . 0.0 110.119 169.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.1 mt -58.09 -47.66 82.53 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 118.832 0.742 . . . . 0.0 110.053 168.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -57.19 -45.77 83.46 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.093 0.406 . . . . 0.0 111.265 173.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.74 -32.83 69.6 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.976 1.31 . . . . 0.0 111.911 175.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.9 t -72.25 -65.88 0.72 Allowed 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.32 1.048 . . . . 0.0 109.898 176.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.3 p -147.74 -24.82 0.37 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 -175.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.84 153.94 40.83 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -160.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 p -140.29 175.18 9.8 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 125.599 1.56 . . . . 0.0 109.552 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -128.62 153.44 47.26 Favored 'General case' 0 C--O 1.238 0.46 0 O-C-N 121.331 -0.856 . . . . 0.0 109.033 175.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.1 t -141.8 99.16 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.197 0 N-CA-C 106.129 -1.804 . . . . 0.0 106.129 -169.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 p -58.08 150.63 50.14 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-O 118.628 -0.701 . . . . 0.0 110.926 -173.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.21 -27.09 79.25 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 121.799 1.666 . . . . 0.0 113.073 -178.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 29.4 t90 -56.64 -63.07 1.32 Allowed 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.489 1.516 . . . . 0.0 110.875 171.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.8 p -70.63 -24.41 62.71 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 119.021 0.828 . . . . 0.0 112.326 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.04 -35.38 80.98 Favored 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 119.182 -1.007 . . . . 0.0 110.04 178.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.7 m -79.19 -51.44 9.49 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.65 1.58 . . . . 0.0 110.988 177.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 . . . . . 0 N--CA 1.47 0.553 0 N-CA-C 113.04 0.755 . . . . 0.0 113.04 -166.822 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo . . . . . 0 N--CA 1.455 -0.788 0 N-CA-C 108.75 -1.288 . . . . 0.0 108.75 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -142.47 -64.22 0.42 Allowed 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -58.44 91.19 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.885 1.274 . . . . 0.0 110.756 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 56.0 m170 -124.36 163.37 21.87 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 125.433 1.493 . . . . 0.0 109.485 -170.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -138.69 93.06 2.68 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 121.982 -0.449 . . . . 0.0 110.243 -158.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 41.3 mt -83.23 101.71 8.25 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 177.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 5.7 tt -69.45 105.56 2.66 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 120.65 -1.282 . . . . 0.0 109.153 172.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 28.5 t -117.72 -173.11 2.37 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 128.175 2.59 . . . . 0.0 107.595 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 25.5 m -114.62 160.44 14.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 159.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' B' ' 52' ' ' CYS . 45.0 t -68.68 135.69 51.75 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 165.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 9.2 t -56.97 -37.5 71.67 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 178.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.02 -20.8 8.57 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -166.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 5.9 m -85.02 -16.42 40.81 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 118.347 -0.835 . . . . 0.0 111.622 166.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 30.4 t0 42.21 50.69 4.5 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 126.084 1.753 . . . . 0.0 111.283 -170.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.86 149.03 18.68 Favored Glycine 0 C--N 1.337 0.612 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -176.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.19 112.58 1.41 Allowed 'General case' 0 C--O 1.232 0.136 0 C-N-CA 127.675 2.39 . . . . 0.0 108.894 -175.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 14.9 mt -112.14 115.32 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 166.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -75.93 87.98 2.9 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 125.004 1.321 . . . . 0.0 108.231 164.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 80.4 mt -70.44 93.85 0.91 Allowed 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.233 1.013 . . . . 0.0 109.527 -171.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 16.4 m -75.68 98.19 4.01 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 173.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 17.5 m -112.52 142.07 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 N-CA-C 104.363 -2.458 . . . . 0.0 104.363 172.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -104.39 91.61 3.98 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 103.831 -2.655 . . . . 0.0 103.831 -170.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.3 m -153.2 133.44 13.47 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 124.709 1.204 . . . . 0.0 111.447 -158.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 14.2 m -57.51 149.4 21.22 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.698 0.799 . . . . 0.0 110.365 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.3 -41.94 72.99 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.455 1.025 . . . . 0.0 113.435 -168.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -80.97 -22.28 39.66 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 121.679 -0.638 . . . . 0.0 112.636 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -74.28 -40.17 62.48 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 123.398 0.679 . . . . 0.0 109.207 173.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tt -58.28 -45.12 88.47 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 125.553 1.541 . . . . 0.0 109.472 169.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -58.6 -53.93 52.75 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 176.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 62.0 m -52.92 -52.86 56.29 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.578 1.551 . . . . 0.0 110.21 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.09 -31.81 73.21 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.708 -0.62 . . . . 0.0 110.61 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -69.77 -25.19 63.69 Favored 'General case' 0 CA--C 1.546 0.788 0 O-C-N 120.317 -1.489 . . . . 0.0 110.912 172.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -69.88 -35.23 74.5 Favored 'General case' 0 C--N 1.345 0.376 0 CA-C-N 119.854 1.206 . . . . 0.0 109.851 169.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 14.9 mt -57.4 -44.41 84.53 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.781 0.719 . . . . 0.0 110.239 167.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -60.55 -47.4 86.33 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 118.319 0.509 . . . . 0.0 110.825 176.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 16.6 mt -60.11 -30.85 69.54 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.707 0.803 . . . . 0.0 112.328 175.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 18.3 t -69.63 -65.22 0.74 Allowed 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.877 0.871 . . . . 0.0 109.743 174.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 65.6 p -150.3 -23.47 0.24 Allowed 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -176.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.73 152.7 42.55 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -159.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.1 p -138.07 173.28 11.79 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.165 1.786 . . . . 0.0 109.346 178.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -131.69 153.65 49.79 Favored 'General case' 0 C--O 1.237 0.431 0 O-C-N 121.188 -0.945 . . . . 0.0 109.22 178.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 13.0 t -139.51 96.47 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.062 0 C-N-CA 126.334 1.853 . . . . 0.0 106.158 -169.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 3.4 p -57.4 154.79 21.54 Favored Pre-proline 0 CA--C 1.539 0.524 0 C-N-CA 124.669 1.188 . . . . 0.0 111.118 -174.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.9 -24.19 71.38 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 122.393 2.062 . . . . 0.0 113.887 -175.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 26.1 t90 -57.51 -65.24 0.66 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.421 1.488 . . . . 0.0 110.44 171.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 14.0 p -70.21 -23.05 62.88 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 119.11 0.868 . . . . 0.0 112.523 175.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.9 90.1 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 118.259 -1.376 . . . . 0.0 109.675 177.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 24.2 m -71.57 -54.38 10.67 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 127.28 2.232 . . . . 0.0 111.235 173.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -87.26 -12.55 46.33 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -166.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 . . . . . 0 C--O 1.249 1.042 0 C-N-CA 127.218 2.207 . . . . 0.0 109.937 -166.326 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 . . . . . 0 N--CA 1.448 -0.553 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.53 90.04 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 126.289 1.836 . . . . 0.0 111.253 -178.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 44.4 m170 -120.8 165.59 14.93 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 124.319 1.048 . . . . 0.0 109.912 -173.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.36 96.94 3.46 Favored 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 123.739 0.816 . . . . 0.0 109.172 -163.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.9 mt -85.89 101.39 10.17 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.242 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 173.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tt -67.67 113.82 5.77 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 120.889 -1.132 . . . . 0.0 108.634 172.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.7 t -125.04 -175.59 3.33 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 127.039 2.136 . . . . 0.0 107.697 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.3 m -113.43 158.5 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 159.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 14.7 t -72.09 129.72 39.19 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 168.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.3 t -57.38 -35.83 70.49 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -173.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -105.91 -11.14 16.3 Favored 'General case' 0 C--N 1.339 0.115 0 C-N-CA 124.731 1.213 . . . . 0.0 113.351 -170.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.0 m -105.03 -19.34 13.86 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.736 0.814 . . . . 0.0 112.631 173.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.6 t0 48.22 31.79 2.78 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.864 1.666 . . . . 0.0 111.985 -164.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.62 145.4 15.97 Favored Glycine 0 C--N 1.34 0.799 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 -175.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -60.99 113.71 2.69 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 126.75 2.02 . . . . 0.0 109.057 -174.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.4 mt -114.82 118.34 58.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 168.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -78.15 89.51 4.25 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 164.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.6 mt -68.65 95.58 0.66 Allowed 'General case' 0 C--N 1.344 0.341 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -171.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.4 m -80.23 101.82 9.1 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 177.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 m -118.18 134.36 62.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 104.521 -2.4 . . . . 0.0 104.521 177.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -98.92 88.52 4.02 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 102.916 -2.994 . . . . 0.0 102.916 -168.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.5 m -148.18 130.3 15.45 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 120.883 -1.136 . . . . 0.0 110.956 -158.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.5 m -60.32 143.43 52.95 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -174.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.31 -36.24 41.7 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -162.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -99.06 -14.31 19.48 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -176.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -71.24 -39.64 71.54 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 124.514 1.126 . . . . 0.0 108.357 162.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 tt -61.15 -46.51 90.26 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 125.66 1.584 . . . . 0.0 110.149 169.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -56.15 -50.67 70.5 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 123.981 0.912 . . . . 0.0 108.648 175.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.6 m -56.21 -52.32 64.85 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.164 0.986 . . . . 0.0 110.08 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.16 -30.28 71.46 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.834 -0.541 . . . . 0.0 111.02 178.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -71.01 -28.04 64.12 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 120.343 -1.473 . . . . 0.0 111.0 173.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -68.1 -36.17 79.36 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 119.697 1.135 . . . . 0.0 109.381 170.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.1 mt -56.83 -46.14 81.87 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 118.578 0.626 . . . . 0.0 110.442 166.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -60.14 -43.4 95.72 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.325 0.966 . . . . 0.0 111.433 177.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.5 mt -64.6 -28.87 69.92 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.841 0.856 . . . . 0.0 112.259 176.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.5 t -82.63 -57.18 3.44 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.626 1.17 . . . . 0.0 111.625 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 p -146.26 -24.55 0.44 Allowed 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.94 1.696 . . . . 0.0 115.478 -158.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.33 152.21 20.2 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 -158.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 p -138.74 173.84 11.15 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.46 1.904 . . . . 0.0 109.286 175.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -129.62 154.0 47.53 Favored 'General case' 0 C--O 1.238 0.48 0 O-C-N 121.108 -0.995 . . . . 0.0 109.145 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . 0.257 2.1 t -138.23 102.33 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 C-N-CA 125.508 1.523 . . . . 0.0 108.44 -175.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.4 p -57.03 145.82 63.21 Favored Pre-proline 0 CA--C 1.54 0.594 0 C-N-CA 124.353 1.061 . . . . 0.0 111.263 -174.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -61.7 -26.45 79.98 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 121.812 1.675 . . . . 0.0 113.515 -172.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 28.3 t90 -58.21 -62.5 1.79 Allowed 'General case' 0 C--O 1.235 0.31 0 C-N-CA 124.292 1.037 . . . . 0.0 110.317 171.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 4.3 p -68.68 -23.33 64.38 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 118.885 -0.579 . . . . 0.0 111.755 -176.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.55 -47.05 64.95 Favored 'General case' 0 N--CA 1.438 -1.043 0 O-C-N 123.904 0.752 . . . . 0.0 109.577 176.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.4 m -62.87 -43.91 97.54 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.42 1.088 . . . . 0.0 110.038 178.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 . . . . . 0 C--N 1.34 0.185 0 CA-C-O 118.872 -0.585 . . . . 0.0 111.903 -177.9 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 108.504 -1.383 . . . . 0.0 108.504 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 74.54 -66.98 0.27 Allowed 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 126.453 1.901 . . . . 0.0 107.706 176.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -58.19 82.96 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.823 2.449 . . . . 0.0 112.805 -177.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -117.69 166.74 12.06 Favored 'General case' 0 CA--C 1.529 0.15 0 O-C-N 121.333 -0.854 . . . . 0.0 109.538 -174.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -137.22 93.78 2.86 Favored 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 123.559 0.744 . . . . 0.0 109.131 -158.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 27.0 mt -85.29 101.6 9.96 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.187 0 N-CA-C 105.919 -1.882 . . . . 0.0 105.919 173.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 tt -65.86 114.27 4.97 Favored 'General case' 0 N--CA 1.448 -0.533 0 O-C-N 121.006 -1.059 . . . . 0.0 108.21 170.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 17.5 t -119.71 -176.1 3.1 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 126.41 1.884 . . . . 0.0 107.76 172.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -111.61 159.08 11.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 159.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . 0.41 ' SG ' ' SG ' ' B' ' 52' ' ' CYS . 17.0 t -69.56 127.46 33.06 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 167.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 7.1 t -53.46 -34.91 59.71 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.633 0.773 . . . . 0.0 112.799 -174.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 4.6 ptpt -106.07 -22.01 12.99 Favored 'General case' 0 C--N 1.341 0.205 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -174.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.0 m -94.12 -17.5 22.74 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 118.758 0.708 . . . . 0.0 111.228 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 27.5 t0 46.76 36.13 3.61 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.108 1.763 . . . . 0.0 111.435 -166.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -110.01 146.02 17.1 Favored Glycine 0 C--N 1.34 0.785 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -176.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -60.08 117.31 4.96 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 126.136 1.774 . . . . 0.0 108.78 -174.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 15.9 mt -117.0 121.75 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 167.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -76.46 94.7 3.71 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 162.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 40.1 mt -72.52 93.78 1.61 Allowed 'General case' 0 C--O 1.235 0.309 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 8.2 m -81.74 93.5 6.82 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 178.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 10.7 m -109.53 128.47 65.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 104.161 -2.533 . . . . 0.0 104.161 -177.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -94.54 80.15 3.85 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 -169.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -145.57 123.65 12.13 Favored 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 125.473 1.509 . . . . 0.0 109.712 -158.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.6 m -57.83 147.53 28.08 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 125.171 1.388 . . . . 0.0 109.094 -171.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.91 -38.5 36.31 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 -162.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -98.83 -12.4 20.87 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -176.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -72.58 -40.58 66.48 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 125.451 1.5 . . . . 0.0 108.476 163.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.93 -46.12 91.98 Favored 'General case' 0 C--N 1.343 0.32 0 C-N-CA 125.99 1.716 . . . . 0.0 109.623 169.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -59.09 -50.31 74.55 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 124.021 0.928 . . . . 0.0 108.615 177.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 75.6 m -55.67 -51.02 68.68 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 122.95 0.5 . . . . 0.0 109.754 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.3 -28.26 68.55 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 121.78 -0.575 . . . . 0.0 111.839 178.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -66.96 -34.09 77.0 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 120.211 -1.556 . . . . 0.0 109.678 170.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -67.14 -35.72 80.31 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 119.536 1.062 . . . . 0.0 109.581 173.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 32.5 mt -57.14 -44.55 83.48 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 118.647 0.658 . . . . 0.0 110.593 168.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -61.95 -44.17 97.32 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.325 0.966 . . . . 0.0 111.382 177.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 38.1 mt -64.16 -28.51 69.81 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.639 0.775 . . . . 0.0 111.983 176.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 11.2 t -81.2 -63.2 1.45 Allowed 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.837 1.655 . . . . 0.0 112.298 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.41 -19.62 0.69 Allowed 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 116.192 1.923 . . . . 0.0 116.192 -158.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 mp -105.25 154.32 20.39 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 115.219 1.563 . . . . 0.0 115.219 -160.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.8 p -142.96 175.9 9.49 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.356 1.862 . . . . 0.0 109.42 178.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -133.46 153.88 51.26 Favored 'General case' 0 C--O 1.237 0.404 0 O-C-N 120.914 -1.116 . . . . 0.0 109.273 178.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 2.3 t -139.44 102.83 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.046 0 C-N-CA 125.968 1.707 . . . . 0.0 107.104 -173.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 4.3 p -56.67 146.66 55.35 Favored Pre-proline 0 N--CA 1.473 0.693 0 C-N-CA 124.62 1.168 . . . . 0.0 111.006 -173.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -59.59 -27.77 85.78 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 121.924 1.749 . . . . 0.0 114.002 -172.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -57.22 -65.14 0.67 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.581 1.152 . . . . 0.0 110.17 170.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.41 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 10.8 p -66.55 -26.81 67.3 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 118.585 0.629 . . . . 0.0 111.361 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.89 -39.76 90.49 Favored 'General case' 0 N--CA 1.438 -1.059 0 O-C-N 121.734 -0.604 . . . . 0.0 109.63 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 21.7 m -76.76 -47.38 21.89 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.802 1.641 . . . . 0.0 111.258 176.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . 0.433 ' N ' HD21 ' B' ' 55' ' ' ASN . 0.9 OUTLIER -78.58 -15.83 58.1 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.15 0.98 . . . . 0.0 113.466 -169.736 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.246 0.908 0 C-N-CA 127.666 2.386 . . . . 0.0 109.321 -163.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 . . . . . 0 N--CA 1.439 -1.011 0 CA-C-O 117.683 -1.151 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.09 83.59 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 127.933 2.493 . . . . 0.0 112.981 -177.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.9 m170 -121.93 165.78 15.44 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.997 1.319 . . . . 0.0 109.885 -171.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.24 102.57 4.53 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 123.617 0.767 . . . . 0.0 109.314 -166.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.5 mt -89.31 100.17 10.39 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.239 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 173.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 tt -68.11 114.54 6.71 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 120.73 -1.231 . . . . 0.0 109.02 171.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.0 t -126.79 -170.52 2.22 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.664 1.586 . . . . 0.0 109.188 173.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.6 m -125.43 155.79 34.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 C-N-CA 123.7 0.8 . . . . 0.0 109.849 172.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.438 ' SG ' ' HA ' ' A' ' 48' ' ' VAL . 9.1 t -78.92 123.36 27.19 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 125.001 1.32 . . . . 0.0 109.304 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.6 t -67.41 -28.28 67.78 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.678 1.126 . . . . 0.0 112.61 -172.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.25 -16.92 28.41 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-N 119.035 0.834 . . . . 0.0 111.67 -172.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.8 p -140.98 2.52 1.74 Allowed 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 -172.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.8 t0 51.06 25.8 2.48 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 127.709 2.404 . . . . 0.0 113.621 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.37 146.05 31.25 Favored Glycine 0 C--N 1.339 0.727 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -66.49 120.23 13.03 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 125.384 1.473 . . . . 0.0 108.7 176.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.5 mt -123.38 112.12 32.19 Favored 'Isoleucine or valine' 0 C--N 1.341 0.209 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 175.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -80.0 86.98 5.43 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 168.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.6 mt -68.42 96.07 0.66 Allowed 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -171.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.0 m -84.03 103.71 13.49 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 -178.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.3 m -119.33 148.82 22.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 105.682 -1.97 . . . . 0.0 105.682 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -120.99 82.21 1.89 Allowed 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 -161.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 t -155.66 169.02 25.29 Favored 'General case' 0 C--N 1.345 0.381 0 C-N-CA 123.118 0.567 . . . . 0.0 112.261 -170.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.4 m -62.39 150.95 38.33 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.117 0.567 . . . . 0.0 109.834 175.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.12 -44.6 87.82 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -171.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -69.52 -31.73 70.15 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -69.19 -47.25 65.41 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.544 1.138 . . . . 0.0 108.847 176.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.62 -42.6 67.9 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 126.909 2.084 . . . . 0.0 111.661 170.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -71.88 -45.5 61.06 Favored 'General case' 0 CA--C 1.507 -0.684 0 C-N-CA 126.814 2.045 . . . . 0.0 108.55 -175.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.5 m -55.39 -49.85 71.26 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 173.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.5 -40.07 68.17 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.727 1.211 . . . . 0.0 111.878 171.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -65.33 -35.03 79.73 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 120.78 -1.2 . . . . 0.0 109.48 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -69.54 -31.74 70.13 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 119.71 1.141 . . . . 0.0 110.735 175.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.6 mt -58.69 -49.63 76.85 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 119.164 0.893 . . . . 0.0 109.838 168.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.09 -42.54 94.86 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 122.635 0.374 . . . . 0.0 111.362 177.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.87 -38.5 85.81 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.004 1.322 . . . . 0.0 110.599 175.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.6 t -67.18 -62.44 1.43 Allowed 'General case' 0 C--N 1.342 0.24 0 C-N-CA 123.85 0.86 . . . . 0.0 110.443 177.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.3 p -151.78 -30.08 0.17 Allowed 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.834 1.254 . . . . 0.0 114.361 -167.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mp -76.24 151.61 36.77 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -162.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.9 p -146.3 172.59 13.25 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 122.43 1.109 . . . . 0.0 110.896 170.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -118.77 151.57 37.79 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 106.093 -1.817 . . . . 0.0 106.093 -178.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.438 ' HA ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -119.49 108.06 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 O-C-N 124.081 0.863 . . . . 0.0 108.913 169.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.5 p -52.42 147.51 14.05 Favored Pre-proline 0 CA--C 1.535 0.371 0 C-N-CA 125.087 1.355 . . . . 0.0 110.363 -175.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -58.59 -28.44 85.92 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 121.699 1.599 . . . . 0.0 112.932 -176.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -53.4 -61.44 2.3 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.225 1.01 . . . . 0.0 110.605 166.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.41 -30.76 69.74 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 118.897 -0.573 . . . . 0.0 111.558 -175.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.74 -33.89 76.63 Favored 'General case' 0 N--CA 1.446 -0.667 0 O-C-N 123.64 0.587 . . . . 0.0 110.839 176.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.1 m -77.11 -43.59 33.58 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.054 0.942 . . . . 0.0 110.816 176.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.4 m120 . . . . . 0 N--CA 1.473 0.708 0 CA-C-N 118.448 0.567 . . . . 0.0 111.357 179.479 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo . . . . . 0 CA--C 1.538 0.686 0 CA-C-O 121.72 0.633 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -130.31 -76.75 0.54 Allowed 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 125.788 1.635 . . . . 0.0 108.249 -175.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -55.16 92.55 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.879 2.072 . . . . 0.0 111.474 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -120.2 168.55 11.11 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.392 1.077 . . . . 0.0 110.341 -174.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -136.53 87.43 2.29 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 124.39 1.076 . . . . 0.0 108.66 -163.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 27.9 mt -82.64 100.07 6.06 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 177.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 tt -68.72 110.72 4.44 Favored 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 121.137 -0.977 . . . . 0.0 108.906 173.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 89.0 m -120.43 -172.65 2.41 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.906 1.282 . . . . 0.0 109.089 170.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -115.0 152.94 16.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 164.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . 0.425 ' SG ' ' SG ' ' B' ' 52' ' ' CYS . 44.0 t -67.14 130.36 42.85 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 170.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 10.0 t -52.77 -33.18 47.36 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.939 0.896 . . . . 0.0 113.315 -177.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.71 -18.41 8.99 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -170.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 m -90.14 -19.01 24.77 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 118.549 -0.738 . . . . 0.0 111.597 168.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 26.9 t0 46.08 37.68 4.06 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.958 1.703 . . . . 0.0 111.488 -166.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -112.96 147.21 18.48 Favored Glycine 0 C--N 1.339 0.728 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 -176.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -61.18 111.59 1.78 Allowed 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 127.321 2.249 . . . . 0.0 109.714 -173.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 34.0 mt -107.99 116.62 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 169.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -80.09 88.45 5.4 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 165.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.4 mt -65.88 99.31 0.47 Allowed 'General case' 0 C--N 1.342 0.262 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -174.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . 0.256 1.2 m -86.69 88.13 7.6 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 -173.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 6.5 m -116.56 113.05 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 -172.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -69.54 97.58 1.04 Allowed 'General case' 0 C--O 1.233 0.226 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 170.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.0 m -160.25 117.54 2.51 Favored 'General case' 0 N--CA 1.435 -1.217 0 O-C-N 120.779 -1.201 . . . . 0.0 110.305 -159.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 11.2 m -61.99 140.01 58.37 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 124.874 1.27 . . . . 0.0 108.055 -170.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.75 -44.06 27.75 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -165.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -80.85 -28.16 36.17 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 122.02 0.914 . . . . 0.0 111.873 -172.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -73.02 -42.98 62.62 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 125.014 1.326 . . . . 0.0 108.956 172.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -39.13 76.4 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 125.733 1.613 . . . . 0.0 111.034 172.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -68.0 -46.05 72.38 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 126.337 1.855 . . . . 0.0 108.727 177.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 33.8 m -56.61 -47.87 78.71 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 173.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.69 -39.84 71.56 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.572 1.549 . . . . 0.0 111.23 170.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -66.15 -31.13 71.8 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.513 -1.367 . . . . 0.0 109.495 177.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -72.45 -34.06 67.49 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 121.104 -0.998 . . . . 0.0 110.296 173.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 64.5 mt -61.06 -35.24 76.42 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.711 1.141 . . . . 0.0 110.59 167.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.65 -50.11 73.84 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 124.665 1.186 . . . . 0.0 109.871 175.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 58.0 mt -65.09 -31.68 73.01 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.006 0.922 . . . . 0.0 112.197 175.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 12.1 t -63.93 -55.26 23.88 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 125.34 1.456 . . . . 0.0 110.225 176.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 18.6 m -165.35 -31.16 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.145 0.978 . . . . 0.0 113.004 -175.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.3 tt -66.25 108.05 2.17 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 119.555 1.07 . . . . 0.0 112.17 -163.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.6 p -87.3 172.78 9.61 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 122.32 1.057 . . . . 0.0 108.291 160.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -131.21 147.62 52.62 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 124.103 0.961 . . . . 0.0 109.443 -177.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 10.5 t -142.44 102.09 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.93 0 C-N-CA 126.231 1.812 . . . . 0.0 106.794 -165.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 5.2 p -59.62 152.5 56.35 Favored Pre-proline 0 CA--C 1.54 0.567 0 C-N-CA 124.258 1.023 . . . . 0.0 110.996 -176.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -60.54 -25.76 81.36 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 122.471 2.114 . . . . 0.0 113.534 -173.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 21.9 t90 -57.06 -65.15 0.67 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.754 1.622 . . . . 0.0 110.085 172.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.425 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 30.4 p -70.45 -23.86 62.79 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 118.516 0.598 . . . . 0.0 111.966 177.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.35 94.27 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 119.262 -0.975 . . . . 0.0 109.181 178.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 23.2 m -73.91 -52.32 13.3 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.175 2.19 . . . . 0.0 111.374 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -102.72 -14.71 16.56 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -163.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 C--O 1.252 1.191 0 CA-C-O 115.246 -2.311 . . . . 0.0 110.438 -159.075 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 . . . . . 0 N--CA 1.451 -0.421 0 CA-C-O 118.536 -0.745 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -57.31 92.07 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.98 1.712 . . . . 0.0 110.505 178.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -126.09 144.4 50.74 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 124.475 1.11 . . . . 0.0 109.694 -168.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -125.35 89.9 3.13 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.356 0.663 . . . . 0.0 109.97 -158.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.0 mt -83.79 104.56 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 106.412 -1.699 . . . . 0.0 106.412 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.8 tt -65.91 113.33 4.31 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 120.815 -1.178 . . . . 0.0 108.674 168.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.3 t -117.49 -175.94 2.92 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.999 1.72 . . . . 0.0 108.729 172.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.3 m -118.87 162.45 16.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 C-N-CA 123.882 0.873 . . . . 0.0 108.933 161.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.43 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 14.7 t -88.45 113.65 24.26 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 125.038 1.335 . . . . 0.0 109.29 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -78.31 6.24 8.73 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -171.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.67 -21.75 12.55 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 170.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.4 p -136.29 4.28 2.91 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -173.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.9 t0 46.11 41.91 9.1 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 127.885 2.474 . . . . 0.0 113.236 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.75 148.65 19.06 Favored Glycine 0 C--N 1.338 0.645 0 N-CA-C 109.082 -1.607 . . . . 0.0 109.082 171.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -64.53 131.32 46.73 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 169.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.1 mt -127.63 119.77 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 171.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -77.69 109.91 12.09 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 159.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.4 mt -87.95 94.38 9.76 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.096 0.958 . . . . 0.0 108.919 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.0 m -74.73 115.41 14.28 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 165.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.7 m -126.0 137.82 56.51 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 103.666 -2.716 . . . . 0.0 103.666 170.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -100.52 96.28 7.28 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 104.449 -2.426 . . . . 0.0 104.449 -168.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.1 m -153.0 132.69 13.1 Favored 'General case' 0 N--CA 1.444 -0.764 0 O-C-N 120.991 -1.068 . . . . 0.0 112.39 -158.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.5 m -59.58 142.88 51.8 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.531 0.732 . . . . 0.0 109.114 176.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.21 -35.69 60.17 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 -163.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -100.44 -15.89 17.77 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -174.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -68.65 -41.03 79.95 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 160.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.81 -45.26 94.62 Favored 'General case' 0 C--N 1.345 0.37 0 C-N-CA 125.004 1.321 . . . . 0.0 110.439 172.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -56.68 -49.23 75.73 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.023 1.329 . . . . 0.0 108.768 175.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.4 m -56.81 -52.22 65.91 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 123.351 0.66 . . . . 0.0 109.887 177.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.93 -31.61 70.01 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-O 121.183 0.516 . . . . 0.0 111.015 176.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -72.74 -25.68 61.29 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 120.18 -1.575 . . . . 0.0 111.058 175.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -71.48 -32.76 68.64 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 119.947 1.248 . . . . 0.0 109.664 170.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.7 mt -55.43 -50.02 70.91 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.308 0.504 . . . . 0.0 110.68 163.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -57.88 -42.91 85.57 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 118.361 0.528 . . . . 0.0 111.411 177.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 tt -61.03 -30.59 70.4 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.855 1.262 . . . . 0.0 112.024 174.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.3 t -70.79 -70.3 0.31 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.024 0.829 . . . . 0.0 110.413 175.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.9 p -145.0 -14.67 0.52 Allowed 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.8 mp -76.86 147.04 37.34 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 121.829 0.823 . . . . 0.0 112.857 -158.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.6 p -145.7 176.59 9.52 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 124.785 1.234 . . . . 0.0 109.229 172.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -117.91 156.06 29.11 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 -178.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.472 ' HB ' ' SG ' ' A' ' 52' ' ' CYS . 1.9 m -126.73 102.5 9.68 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.305 0 C-N-CA 124.372 1.069 . . . . 0.0 108.287 173.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.5 p -48.31 149.24 2.79 Favored Pre-proline 0 CA--C 1.536 0.432 0 C-N-CA 127.749 2.42 . . . . 0.0 111.078 -175.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -57.38 -27.71 76.96 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.604 2.203 . . . . 0.0 114.241 -173.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -53.5 -60.72 2.94 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.435 1.094 . . . . 0.0 110.569 166.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.472 ' SG ' ' HB ' ' A' ' 48' ' ' VAL . 0.5 OUTLIER -76.86 -19.56 57.34 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.875 0.87 . . . . 0.0 111.685 -175.371 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.47 -50.81 72.07 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 168.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 20.4 m -71.43 -48.26 50.7 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.334 1.853 . . . . 0.0 111.63 -177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.474 0.73 0 C-N-CA 123.14 0.576 . . . . 0.0 110.879 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo . . . . . 0 CA--C 1.542 0.898 0 N-CA-C 109.72 -0.915 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -143.48 -70.65 0.31 Allowed 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 117.526 -1.226 . . . . 0.0 109.668 -167.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -53.7 90.38 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.862 1.664 . . . . 0.0 112.317 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 54.5 m170 -126.29 176.39 7.13 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 126.088 1.755 . . . . 0.0 110.739 -168.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.16 103.5 4.15 Favored 'General case' 0 C--N 1.34 0.187 0 C-N-CA 124.404 1.082 . . . . 0.0 110.041 -164.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 56.3 mt -90.09 101.93 12.74 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.286 0 N-CA-C 106.708 -1.589 . . . . 0.0 106.708 168.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 tt -68.4 118.36 11.37 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 120.532 -1.355 . . . . 0.0 108.972 172.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 14.9 t -124.46 -177.25 3.74 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 127.082 2.153 . . . . 0.0 108.183 174.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.3 m -114.85 160.9 13.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 159.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' CYS . . . . . 0.415 ' SG ' ' SG ' ' B' ' 52' ' ' CYS . 20.9 t -72.15 131.98 43.53 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 123.598 0.759 . . . . 0.0 109.235 170.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 9.2 t -55.18 -37.48 67.1 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.66 1.184 . . . . 0.0 112.217 -177.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -107.59 -16.81 14.26 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -173.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.0 m -101.67 -17.72 16.18 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 119.112 0.869 . . . . 0.0 112.104 178.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 25.3 t0 49.59 27.46 2.14 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.706 1.602 . . . . 0.0 111.978 -165.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.54 145.0 17.64 Favored Glycine 0 C--N 1.339 0.726 0 N-CA-C 109.384 -1.486 . . . . 0.0 109.384 -175.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -62.23 113.96 3.18 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 126.418 1.887 . . . . 0.0 109.074 -175.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 10.7 mt -117.28 114.44 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 171.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -75.98 92.32 3.13 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 166.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.6 mt -70.29 96.8 1.15 Allowed 'General case' 0 C--N 1.343 0.313 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 -174.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' THR . . . . . . . . . . . . 0.262 10.3 m -90.39 98.77 11.97 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 105.285 -2.117 . . . . 0.0 105.285 -169.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 19.8 m -121.97 118.43 55.53 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 C-N-CA 126.625 1.97 . . . . 0.0 105.687 -171.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' GLU . . . . . 0.446 ' C ' ' HG ' ' B' ' 29' ' ' SER . 42.8 mt-10 -70.14 102.91 2.18 Favored 'General case' 0 C--O 1.231 0.106 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 169.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.446 ' HG ' ' C ' ' B' ' 28' ' ' GLU . 71.1 m -160.39 135.59 7.93 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 124.349 1.06 . . . . 0.0 109.858 -160.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 21.1 m -71.45 143.76 49.97 Favored 'General case' 0 C--O 1.223 -0.323 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -177.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.66 -39.42 36.3 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 -164.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -98.36 -12.84 21.05 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -174.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -36.9 67.68 Favored 'General case' 0 N--CA 1.442 -0.87 0 O-C-N 121.491 -0.755 . . . . 0.0 109.312 159.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.03 -41.83 97.29 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 125.027 1.331 . . . . 0.0 109.309 172.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -57.55 -51.7 68.39 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 124.585 1.154 . . . . 0.0 108.121 170.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 66.8 m -58.49 -48.62 80.18 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.321 0.51 . . . . 0.0 110.548 -179.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.78 -25.47 64.72 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.192 0.906 . . . . 0.0 111.502 178.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -67.02 -38.37 85.81 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.173 -0.954 . . . . 0.0 109.274 168.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -66.87 -30.25 70.37 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.652 173.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 48.8 mt -60.88 -49.1 78.81 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-N 119.696 1.134 . . . . 0.0 109.922 168.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -57.0 -41.09 77.82 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.587 1.085 . . . . 0.0 111.438 174.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 9.7 tt -65.01 -37.96 89.35 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.087 0.955 . . . . 0.0 111.884 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 8.8 t -73.66 -61.77 1.72 Allowed 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 126.922 2.089 . . . . 0.0 111.864 -178.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.65 -35.21 0.46 Allowed 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 125.116 1.366 . . . . 0.0 114.43 -158.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mp -91.36 160.89 15.25 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -160.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.5 p -140.82 175.68 9.42 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 125.449 1.499 . . . . 0.0 109.095 174.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -129.78 148.11 51.62 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 121.158 -0.964 . . . . 0.0 109.503 177.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 2.3 t -141.89 107.76 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.131 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 -174.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 1.6 p -57.32 141.44 77.66 Favored Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 123.946 0.899 . . . . 0.0 109.928 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -62.74 -24.75 74.74 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 121.369 1.379 . . . . 0.0 113.465 -171.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -54.09 -66.69 0.35 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.986 1.314 . . . . 0.0 109.807 167.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.415 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 3.1 p -66.54 -22.34 66.16 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 117.741 0.246 . . . . 0.0 111.491 -178.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.48 87.34 Favored 'General case' 0 N--CA 1.438 -1.063 0 C-N-CA 121.074 -0.251 . . . . 0.0 110.955 177.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 22.5 m -89.49 -37.75 14.53 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.314 1.846 . . . . 0.0 111.18 -174.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.45 -40.27 96.06 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.482 0.583 . . . . 0.0 109.495 169.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 129.74 3.216 . . . . 0.0 111.644 175.68 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.209 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -69.19 158.41 34.99 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 117.765 0.782 . . . . 0.0 109.403 168.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -158.02 166.85 31.49 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.25 1.82 . . . . 0.0 106.753 170.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 58.5 ttp -79.49 154.2 29.04 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.2 -0.666 . . . . 0.0 109.2 168.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.57 160.61 39.64 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 106.665 -1.605 . . . . 0.0 106.665 160.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -140.97 154.46 68.43 Favored Pre-proline 0 C--O 1.239 0.507 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 -177.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -76.55 64.36 7.36 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.726 2.951 . . . . 0.0 110.739 -178.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -129.58 -71.46 0.62 Allowed 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.311 1.444 . . . . 0.0 107.996 -176.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.52 90.77 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 125.789 1.636 . . . . 0.0 111.216 178.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.0 m170 -121.51 162.8 19.9 Favored 'General case' 0 C--O 1.227 -0.119 0 C-N-CA 124.602 1.161 . . . . 0.0 109.112 -175.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -136.68 94.18 2.96 Favored 'General case' 0 N--CA 1.453 -0.325 0 O-C-N 122.15 -0.344 . . . . 0.0 110.664 -158.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.8 mt -83.79 95.51 3.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 105.39 -2.078 . . . . 0.0 105.39 171.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.79 100.0 3.91 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 173.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.3 t -112.91 -167.71 1.22 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.641 1.576 . . . . 0.0 109.588 -173.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.3 m -127.45 155.79 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.276 1.03 . . . . 0.0 109.284 171.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 16.4 t -83.62 131.33 34.97 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 124.889 1.276 . . . . 0.0 109.666 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.9 t -70.1 -29.97 67.06 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -171.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.44 -19.92 20.8 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-N 119.13 0.877 . . . . 0.0 111.88 -173.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.9 p -130.32 -0.89 4.52 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -173.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.6 t0 50.29 25.97 2.05 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.848 2.059 . . . . 0.0 113.021 -177.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.03 146.59 24.14 Favored Glycine 0 C--N 1.34 0.798 0 N-CA-C 108.343 -1.903 . . . . 0.0 108.343 178.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.43 135.11 54.81 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 107.621 -1.252 . . . . 0.0 107.621 176.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.7 mt -126.53 123.49 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 172.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.5 104.99 4.66 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 160.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.9 mt -89.23 87.14 7.03 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 172.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 92.8 m -71.11 103.63 2.81 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 119.136 -1.026 . . . . 0.0 108.358 164.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 6.7 m -112.71 124.84 69.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 N-CA-C 104.074 -2.565 . . . . 0.0 104.074 175.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -91.87 84.48 5.38 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 103.518 -2.771 . . . . 0.0 103.518 -169.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.9 m -147.98 129.95 15.33 Favored 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 124.215 1.006 . . . . 0.0 110.488 -158.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.6 m -58.5 144.89 40.88 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-O 118.471 -0.776 . . . . 0.0 109.017 -175.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.48 -38.61 44.91 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -163.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -96.33 -15.02 22.13 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -175.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -71.28 -40.23 71.05 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 162.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 tt -58.95 -46.9 86.9 Favored 'General case' 0 C--O 1.223 -0.298 0 C-N-CA 124.638 1.175 . . . . 0.0 109.432 171.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -56.24 -51.95 66.25 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.818 1.247 . . . . 0.0 108.53 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 91.3 m -54.82 -53.95 48.58 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.838 1.255 . . . . 0.0 110.077 178.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.44 -28.41 69.65 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 121.677 -0.639 . . . . 0.0 111.072 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -73.07 -24.63 60.69 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 120.517 -1.364 . . . . 0.0 111.134 172.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -69.59 -36.49 76.28 Favored 'General case' 0 N--CA 1.454 -0.275 0 O-C-N 120.889 -1.132 . . . . 0.0 109.523 166.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.6 mt -62.19 -34.99 77.51 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 118.852 0.751 . . . . 0.0 111.106 171.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -60.37 -54.6 43.67 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 118.891 0.769 . . . . 0.0 109.93 169.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.0 mt -61.16 -27.3 68.3 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.735 0.814 . . . . 0.0 112.406 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.2 t -68.54 -68.34 0.4 Allowed 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 126.07 1.748 . . . . 0.0 110.072 170.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.2 p -147.38 -34.04 0.26 Allowed 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -170.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.2 tt -69.28 137.38 52.99 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 117.997 0.362 . . . . 0.0 111.377 -161.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.5 p -118.89 171.03 8.52 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.561 0.744 . . . . 0.0 109.051 159.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -113.38 153.28 28.81 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 173.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . 0.322 0.4 OUTLIER -135.37 107.35 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 N-CA-C 107.599 -1.259 . . . . 0.0 107.599 179.129 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 p -56.27 143.49 64.64 Favored Pre-proline 0 CA--C 1.535 0.394 0 C-N-CA 125.15 1.38 . . . . 0.0 110.672 -167.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -61.98 -26.73 78.92 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 121.615 1.543 . . . . 0.0 112.856 -172.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -56.94 -63.93 1.04 Allowed 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.735 0.814 . . . . 0.0 109.564 169.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.5 p -65.61 -31.32 72.29 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 118.875 -0.583 . . . . 0.0 110.798 -174.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.11 -37.38 83.8 Favored 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 123.604 0.565 . . . . 0.0 110.408 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 30.3 m -71.95 -41.35 67.89 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.108 0.963 . . . . 0.0 110.678 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -66.97 -41.98 85.92 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 122.924 0.489 . . . . 0.0 111.257 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 C--O 1.25 1.115 0 C-N-CA 128.131 2.572 . . . . 0.0 111.255 -166.686 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.985 0 N-CA-C 109.037 -1.625 . . . . 0.0 109.037 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 51.0 p -121.94 172.53 8.14 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 106.466 -1.679 . . . . 0.0 106.466 158.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 36.9 t60 57.57 -154.68 0.35 Allowed 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -158.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 32.3 ttp -153.78 -176.03 5.64 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.905 1.282 . . . . 0.0 107.567 177.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . 62.19 56.59 2.18 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 126.356 1.862 . . . . 0.0 111.508 176.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -95.2 145.49 29.63 Favored Pre-proline 0 CA--C 1.542 0.658 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -172.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -76.83 58.47 6.05 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 124.881 3.721 . . . . 0.0 112.459 -167.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -129.47 -52.51 1.17 Allowed 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 125.615 1.566 . . . . 0.0 110.092 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -62.25 93.47 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 120.331 1.423 . . . . 0.0 111.4 -172.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 42.9 m170 -126.87 175.58 7.93 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 125.296 1.438 . . . . 0.0 110.697 -166.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -143.81 98.27 3.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.233 1.013 . . . . 0.0 109.752 -160.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 55.6 mt -86.58 96.63 5.54 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.216 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 169.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 tt -66.06 108.28 2.18 Favored 'General case' 0 N--CA 1.448 -0.562 0 O-C-N 121.041 -1.037 . . . . 0.0 108.519 168.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.82 -166.81 1.33 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.874 1.269 . . . . 0.0 108.251 173.114 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 19.4 m -125.22 153.81 32.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 171.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . 1.13 ' SG ' 'ZN ' ' B' ' 57' ' ' ' ZN' . 21.8 t -71.14 132.14 44.61 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 171.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 49.6 t -54.2 -29.92 47.92 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.105 0.962 . . . . 0.0 112.934 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -127.43 -22.35 3.68 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -166.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.2 m -82.16 -16.77 48.67 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.242 164.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 27.9 t0 45.6 44.95 10.59 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 125.657 1.583 . . . . 0.0 110.737 -170.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.88 150.12 18.98 Favored Glycine 0 C--N 1.338 0.666 0 C-N-CA 124.919 1.247 . . . . 0.0 110.323 -171.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.73 113.92 2.5 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 127.581 2.352 . . . . 0.0 109.451 -176.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 9.6 mt -112.04 119.19 59.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 167.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -85.96 86.99 7.34 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 124.871 1.268 . . . . 0.0 108.621 173.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 60.8 mt -70.52 96.71 1.21 Allowed 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 -170.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 5.7 m -84.65 91.46 7.93 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 -176.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 5.0 m -119.36 135.11 60.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 105.303 -2.11 . . . . 0.0 105.303 -173.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -114.11 94.17 4.69 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 107.316 -1.364 . . . . 0.0 107.316 -160.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -160.8 160.56 31.33 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 21.1 m -53.72 147.05 12.25 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.828 0.851 . . . . 0.0 109.977 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.27 -38.88 55.2 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 -166.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -83.45 -21.74 32.81 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -175.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -73.5 -41.24 63.35 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.494 1.118 . . . . 0.0 108.982 170.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.93 -47.45 77.52 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.957 0.884 . . . . 0.0 109.969 168.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -62.94 -47.38 83.46 Favored 'General case' 0 CA--C 1.509 -0.625 0 C-N-CA 125.723 1.609 . . . . 0.0 108.83 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 85.8 m -54.65 -51.57 65.03 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 123.814 0.846 . . . . 0.0 109.273 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.34 -32.77 73.59 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.985 -0.447 . . . . 0.0 111.36 175.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -66.46 -29.93 70.16 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 120.596 -1.315 . . . . 0.0 110.761 173.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -69.82 -35.81 75.11 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 119.385 0.993 . . . . 0.0 109.421 174.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 24.6 mt -56.12 -46.63 79.08 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 118.519 0.599 . . . . 0.0 110.777 168.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -61.44 -45.55 93.83 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 122.162 -0.336 . . . . 0.0 111.125 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 35.3 mt -64.55 -26.7 68.53 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.666 0.787 . . . . 0.0 112.213 176.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 10.7 t -72.58 -61.67 1.72 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 119.06 0.846 . . . . 0.0 109.889 174.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 38.8 p -151.06 -28.57 0.2 Allowed 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 -167.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.72 149.86 34.51 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -159.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.36 168.79 16.38 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.162 1.385 . . . . 0.0 109.35 173.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -122.25 151.84 40.65 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 172.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . 0.259 2.8 t -138.22 94.93 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.219 0 N-CA-C 105.183 -2.155 . . . . 0.0 105.183 -170.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 4.0 p -57.97 150.83 47.91 Favored Pre-proline 0 CA--C 1.536 0.438 0 C-N-CA 124.845 1.258 . . . . 0.0 110.685 -170.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.84 -24.73 73.5 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 121.737 1.625 . . . . 0.0 114.106 -170.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 20.1 t90 -57.62 -67.97 0.28 Allowed 'General case' 0 C--O 1.236 0.376 0 C-N-CA 125.423 1.489 . . . . 0.0 110.542 171.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.402 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 26.1 p -65.06 -29.77 70.68 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 118.628 0.649 . . . . 0.0 111.441 177.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.27 -37.46 87.35 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 119.606 -0.838 . . . . 0.0 111.062 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 36.0 m -72.81 -52.02 16.58 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.89 1.676 . . . . 0.0 110.618 175.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -75.28 -26.74 59.01 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.729 0.641 . . . . 0.0 112.729 -171.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 . . . . . 0 C--O 1.253 1.244 0 C-N-CA 127.645 2.378 . . . . 0.0 110.624 -167.669 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ' ZN' . . . . . 1.13 'ZN ' ' SG ' ' B' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.29 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -65.58 85.51 0.07 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.993 0.917 . . . . 0.0 109.291 168.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -147.12 35.46 0.9 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.511 1.124 . . . . 0.0 110.51 174.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 10.9 ttp -162.38 28.23 0.11 Allowed 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 159.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.427 ' H ' ' CD ' ' A' ' 6' ' ' GLU . . . -139.67 24.25 2.43 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.549 1.539 . . . . 0.0 112.46 179.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.427 ' CD ' ' H ' ' A' ' 5' ' ' ALA . 18.9 mp0 -97.58 154.23 38.02 Favored Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 123.585 0.754 . . . . 0.0 110.089 -168.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -74.77 58.07 4.61 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 124.703 3.602 . . . . 0.0 111.888 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -127.56 -52.02 1.37 Allowed 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 126.441 1.897 . . . . 0.0 109.841 174.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -63.37 91.75 0.05 Allowed 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 120.453 1.479 . . . . 0.0 111.067 -171.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.1 m170 -127.1 161.58 28.11 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 123.339 0.656 . . . . 0.0 110.849 -166.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -137.39 97.12 3.39 Favored 'General case' 0 C--N 1.339 0.123 0 C-N-CA 125.261 1.424 . . . . 0.0 109.08 -165.402 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.6 mt -89.75 101.01 11.74 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.26 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 176.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 tt -67.6 118.74 11.3 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 120.511 -1.368 . . . . 0.0 109.257 173.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.8 t -124.03 -173.4 2.75 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 125.963 1.705 . . . . 0.0 108.294 169.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.7 m -123.4 155.26 29.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 169.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.2 t -67.59 125.8 27.32 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.8 t -58.34 -22.99 55.34 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -174.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.443 ' HE2' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -121.79 -20.92 6.26 Favored 'General case' 0 C--N 1.343 0.289 0 N-CA-C 115.224 1.565 . . . . 0.0 115.224 -173.094 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.8 p -114.71 -0.45 13.57 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.936 1.244 . . . . 0.0 113.064 173.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.5 t0 54.23 25.0 5.37 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.373 1.869 . . . . 0.0 113.162 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.77 150.38 36.07 Favored Glycine 0 C--N 1.339 0.715 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -65.39 110.37 2.62 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 124.881 1.272 . . . . 0.0 108.626 176.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.6 mt -118.58 106.0 18.76 Favored 'Isoleucine or valine' 0 C--N 1.341 0.206 0 CA-C-O 122.609 1.195 . . . . 0.0 108.5 174.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -76.21 89.5 3.1 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.151 1.38 . . . . 0.0 108.654 170.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.5 mt -69.03 91.88 0.5 Allowed 'General case' 0 C--O 1.234 0.269 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 -172.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.9 m -86.95 108.8 18.98 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 105.503 -2.036 . . . . 0.0 105.503 -174.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.8 m -125.61 123.12 63.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 104.336 -2.468 . . . . 0.0 104.336 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -83.97 94.19 8.22 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 105.14 -2.17 . . . . 0.0 105.14 174.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.58 154.11 33.64 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 122.806 0.443 . . . . 0.0 111.303 177.273 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.2 m -53.78 147.23 12.15 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.223 1.409 . . . . 0.0 110.35 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.1 -43.42 82.21 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.777 -0.577 . . . . 0.0 112.543 -170.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.45 -30.96 66.64 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -68.33 -48.89 63.68 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 125.345 1.458 . . . . 0.0 108.383 176.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.76 -41.25 73.73 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 126.949 2.099 . . . . 0.0 111.896 171.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -69.57 -46.75 65.65 Favored 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 127.09 2.156 . . . . 0.0 108.542 -177.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.0 m -55.08 -50.59 68.78 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 174.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.42 -42.99 61.87 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.097 1.359 . . . . 0.0 111.462 169.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -66.64 -31.19 71.71 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 120.532 -1.355 . . . . 0.0 110.653 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -69.66 -35.43 75.16 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 118.734 0.697 . . . . 0.0 109.779 173.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.3 mt -57.36 -44.26 84.2 Favored 'General case' 0 C--N 1.344 0.34 0 CA-C-O 118.724 -0.655 . . . . 0.0 109.543 169.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -63.73 -41.72 98.01 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 119.178 0.899 . . . . 0.0 111.609 177.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.7 mt -64.85 -24.44 67.54 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.388 0.675 . . . . 0.0 112.285 174.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.6 t -88.68 -65.28 1.03 Allowed 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 126.041 1.737 . . . . 0.0 112.37 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.11 -18.21 0.4 Allowed 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 116.426 2.009 . . . . 0.0 116.426 -158.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.59 145.53 24.36 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.387 1.075 . . . . 0.0 113.265 -171.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.3 p -137.17 173.27 11.87 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.923 1.689 . . . . 0.0 109.505 167.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -128.03 158.31 38.28 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 122.253 1.025 . . . . 0.0 109.835 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.443 HG11 ' HE2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -149.05 109.03 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.127 0 C-N-CA 126.247 1.819 . . . . 0.0 107.588 -167.675 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.9 p -61.22 159.87 26.74 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 123.8 0.84 . . . . 0.0 110.995 -177.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -60.42 -25.52 80.62 Favored 'Trans proline' 0 CA--C 1.536 0.624 0 C-N-CA 122.34 2.027 . . . . 0.0 113.292 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -60.39 -48.6 81.04 Favored 'General case' 0 C--N 1.342 0.241 0 O-C-N 121.933 -0.479 . . . . 0.0 110.162 170.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 80.1 m -72.58 -28.18 62.64 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 123.275 0.63 . . . . 0.0 112.471 176.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.58 -34.73 73.09 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.1 0.864 . . . . 0.0 110.85 168.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.2 m -85.72 -44.12 12.81 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.151 1.38 . . . . 0.0 112.058 -177.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -111.11 -13.11 14.09 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.462 1.105 . . . . 0.0 113.33 -165.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 . . . . . 0 C--O 1.249 1.042 0 C-N-CA 125.709 1.604 . . . . 0.0 110.591 -159.723 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.166 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -69.48 103.04 1.94 Allowed 'General case' 0 C--O 1.235 0.318 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 174.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -140.4 152.16 45.51 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.975 1.31 . . . . 0.0 108.421 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 26.4 ttm -160.91 38.67 0.15 Allowed 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.444 1.097 . . . . 0.0 110.45 166.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -118.77 20.7 12.78 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 128.41 2.684 . . . . 0.0 113.577 -167.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -87.37 157.02 53.67 Favored Pre-proline 0 C--N 1.326 -0.448 0 C-N-CA 124.159 0.984 . . . . 0.0 110.192 -165.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -74.97 54.26 3.57 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 124.407 3.405 . . . . 0.0 111.075 176.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -123.93 -73.75 0.63 Allowed 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 127.983 2.513 . . . . 0.0 107.458 -177.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.72 93.4 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 126.543 1.937 . . . . 0.0 111.134 -173.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 47.8 m170 -125.85 162.57 24.85 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 126.009 1.723 . . . . 0.0 109.123 -171.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.41 93.5 2.82 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.653 0.781 . . . . 0.0 108.954 -165.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 35.9 mt -81.76 101.88 7.06 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.266 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 176.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.8 tt -67.91 113.1 5.35 Favored 'General case' 0 N--CA 1.447 -0.603 0 O-C-N 120.971 -1.081 . . . . 0.0 108.772 172.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 44.0 m -122.91 -171.46 2.3 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.654 1.582 . . . . 0.0 109.1 172.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 31.4 m -113.76 160.67 13.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 160.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . 1.142 ' SG ' 'ZN ' ' B' ' 57' ' ' ' ZN' . 38.9 t -64.84 134.11 53.37 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 168.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 44.7 t -51.47 -37.06 46.99 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.117 1.767 . . . . 0.0 112.008 175.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.26 -25.13 3.28 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -169.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.9 m -85.89 -11.28 53.64 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 118.364 -0.827 . . . . 0.0 111.617 171.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 30.7 t0 41.47 48.78 3.45 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 127.231 2.212 . . . . 0.0 112.167 -178.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.63 154.22 20.32 Favored Glycine 0 C--N 1.336 0.571 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -60.47 121.0 11.02 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 126.502 1.921 . . . . 0.0 109.169 -173.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 22.8 mt -120.37 127.1 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 168.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -88.87 87.76 7.35 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 170.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 61.7 mt -68.8 97.8 0.86 Allowed 'General case' 0 C--O 1.235 0.318 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -169.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 31.5 m -86.49 100.83 12.65 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 -173.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 15.1 m -122.94 137.23 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 N-CA-C 106.094 -1.817 . . . . 0.0 106.094 178.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -89.12 107.13 18.88 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 106.035 -1.839 . . . . 0.0 106.035 174.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 64.1 m -157.86 132.05 8.17 Favored 'General case' 0 N--CA 1.443 -0.79 0 O-C-N 121.529 -0.732 . . . . 0.0 109.813 -163.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 69.1 m -62.5 149.18 43.58 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 173.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.2 -44.38 71.55 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.189 0.904 . . . . 0.0 113.027 -169.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -78.89 -20.98 48.11 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.737 0.815 . . . . 0.0 112.087 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -75.0 -42.11 58.15 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.948 1.299 . . . . 0.0 108.546 173.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.18 -38.69 87.4 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 126.756 2.022 . . . . 0.0 110.972 171.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -66.12 -45.9 79.48 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 127.043 2.137 . . . . 0.0 108.86 175.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 60.6 m -57.8 -49.49 76.44 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 174.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.74 -37.45 68.49 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.562 1.145 . . . . 0.0 111.662 170.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -68.28 -30.25 69.22 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 120.156 -1.59 . . . . 0.0 109.826 177.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -71.49 -35.67 70.86 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 120.877 -1.14 . . . . 0.0 109.89 172.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 79.7 mt -61.39 -32.28 72.21 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 118.284 0.493 . . . . 0.0 110.857 169.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -64.71 -48.57 74.17 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 125.131 1.373 . . . . 0.0 110.413 173.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 53.3 mt -64.47 -29.16 70.21 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.241 1.017 . . . . 0.0 112.255 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.5 t -63.62 -77.75 0.05 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.581 1.952 . . . . 0.0 109.739 169.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 24.0 p -141.24 -26.39 0.71 Allowed 'General case' 0 C--O 1.236 0.391 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 176.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.93 100.23 0.11 Allowed 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 123.829 0.852 . . . . 0.0 113.108 -159.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 14.2 m -107.36 153.21 23.1 Favored 'General case' 0 N--CA 1.434 -1.248 0 N-CA-C 105.966 -1.864 . . . . 0.0 105.966 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -115.15 152.84 31.89 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 123.044 1.402 . . . . 0.0 111.24 -166.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -141.52 101.1 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 C-N-CA 127.619 2.367 . . . . 0.0 105.171 -157.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 p -62.07 161.35 24.11 Favored Pre-proline 0 CA--C 1.542 0.671 0 C-N-CA 122.782 0.433 . . . . 0.0 110.268 176.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.24 -23.78 31.38 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 122.208 1.939 . . . . 0.0 115.308 -177.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 14.6 t90 -61.3 -65.69 0.65 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.05 0.94 . . . . 0.0 110.903 172.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.436 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 0.7 OUTLIER -64.78 -20.93 66.64 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 118.447 0.567 . . . . 0.0 112.48 175.772 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.96 93.13 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 118.274 -1.37 . . . . 0.0 109.573 171.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 17.2 m -77.2 -20.81 54.84 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.554 1.541 . . . . 0.0 112.735 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -119.57 -11.7 9.41 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 120.613 1.552 . . . . 0.0 114.228 -171.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 . . . . . 0 C--O 1.247 0.934 0 C-N-CA 125.363 1.465 . . . . 0.0 109.853 -159.318 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ' ZN' . . . . . 1.142 'ZN ' ' SG ' ' B' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.197 0 N-CA-C 109.981 -1.247 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 m -166.12 173.45 10.27 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 126.058 1.743 . . . . 0.0 107.12 171.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -137.36 136.64 38.1 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 169.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -174.14 178.15 2.16 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.377 1.471 . . . . 0.0 108.861 178.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.43 30.84 17.72 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.291 1.837 . . . . 0.0 113.268 175.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -134.31 160.0 70.17 Favored Pre-proline 0 C--O 1.239 0.522 0 C-N-CA 126.33 1.852 . . . . 0.0 108.659 -176.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -73.78 77.87 2.57 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 123.855 3.037 . . . . 0.0 109.331 176.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -142.5 -67.17 0.38 Allowed 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.15 0.98 . . . . 0.0 108.73 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.39 91.93 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.359 1.464 . . . . 0.0 110.807 178.054 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.0 m170 -124.44 159.01 31.45 Favored 'General case' 0 C--O 1.227 -0.106 0 C-N-CA 124.857 1.263 . . . . 0.0 109.266 -171.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -135.82 93.28 2.92 Favored 'General case' 0 N--CA 1.456 -0.148 0 O-C-N 122.153 -0.342 . . . . 0.0 110.779 -158.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.6 mt -83.71 97.18 4.6 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 174.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 tt -65.44 112.36 3.51 Favored 'General case' 0 N--CA 1.448 -0.559 0 O-C-N 120.328 -1.482 . . . . 0.0 108.577 171.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.5 t -129.88 -164.84 1.45 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.983 0.913 . . . . 0.0 110.461 177.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.7 m -122.13 154.55 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 123.915 0.886 . . . . 0.0 108.721 166.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.129 ' SG ' 'ZN ' ' A' ' 57' ' ' ' ZN' . 37.4 t -71.92 120.21 17.2 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 170.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 18.8 t -51.32 -36.06 40.94 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.935 0.894 . . . . 0.0 112.917 -176.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.47 ' HE2' ' HB2' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -107.69 -8.19 16.17 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -170.28 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 m -104.01 -20.98 13.68 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.968 0.907 . . . . 0.0 112.324 171.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.4 t0 42.6 48.03 4.61 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.124 1.77 . . . . 0.0 111.478 -159.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -117.59 146.97 18.78 Favored Glycine 0 C--N 1.34 0.777 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 176.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -64.32 126.44 27.78 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 126.136 1.774 . . . . 0.0 109.288 -174.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.6 mt -119.5 148.6 22.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 168.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -115.54 83.88 2.0 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 175.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.3 mt -70.01 94.7 0.89 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.153 -1.385 . . . . 0.0 109.385 -161.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.3 m -85.64 85.82 7.39 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -175.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.1 m -100.27 137.18 28.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -103.7 97.78 7.75 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 103.309 -2.849 . . . . 0.0 103.309 -167.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.8 m -156.66 132.76 9.76 Favored 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 120.525 -1.36 . . . . 0.0 111.241 -158.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.4 m -59.47 144.57 46.74 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 177.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.92 -40.24 66.55 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 -166.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -81.64 -21.89 37.91 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.841 0.829 . . . . 0.0 112.115 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -80.3 -39.89 27.88 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.741 1.616 . . . . 0.0 108.622 176.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tt -56.11 -46.21 79.2 Favored 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 126.548 1.939 . . . . 0.0 110.076 164.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -62.64 -44.15 97.0 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 124.457 1.103 . . . . 0.0 109.7 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.5 m -57.08 -49.79 74.76 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 175.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.69 -25.35 66.51 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.254 -0.904 . . . . 0.0 112.371 176.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -68.32 -31.8 71.47 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 120.275 -1.515 . . . . 0.0 109.875 170.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -70.32 -33.51 71.6 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.022 -1.049 . . . . 0.0 109.695 170.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 77.4 mt -64.42 -28.96 70.04 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 118.882 0.765 . . . . 0.0 112.231 169.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.93 -49.34 76.53 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.436 1.494 . . . . 0.0 109.644 169.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.6 mt -69.24 -23.36 63.86 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.126 0.97 . . . . 0.0 112.909 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 7.0 t -67.89 -82.73 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.746 2.018 . . . . 0.0 109.188 170.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.5 p -139.79 -11.12 1.16 Allowed 'General case' 0 C--N 1.344 0.337 0 N-CA-C 115.454 1.65 . . . . 0.0 115.454 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.0 tt -76.82 108.3 9.75 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -166.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.65 176.39 6.89 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 158.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.03 148.12 50.53 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 121.194 -0.941 . . . . 0.0 109.735 178.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 6.3 t -142.59 96.71 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 C-N-CA 126.641 1.976 . . . . 0.0 106.796 -168.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.9 p -53.63 148.64 17.97 Favored Pre-proline 0 CA--C 1.542 0.64 0 C-N-CA 126.052 1.741 . . . . 0.0 111.894 -174.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -61.68 -25.51 79.03 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 121.992 1.795 . . . . 0.0 113.956 -174.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 34.7 t90 -56.78 -53.74 54.36 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.147 0.979 . . . . 0.0 110.735 169.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.47 ' HB2' ' HE2' ' A' ' 18' ' ' LYS . 9.6 p -80.12 -18.47 49.74 Favored 'General case' 0 CA--C 1.513 -0.448 0 O-C-N 121.63 -0.669 . . . . 0.0 112.281 178.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.38 -38.59 87.58 Favored 'General case' 0 N--CA 1.435 -1.219 0 C-N-CA 118.835 -1.146 . . . . 0.0 109.585 169.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 19.4 m -73.01 -53.53 10.93 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.348 1.859 . . . . 0.0 111.061 175.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -87.05 -20.11 27.64 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 -168.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 . . . . . 0 C--O 1.253 1.265 0 C-N-CA 126.094 1.757 . . . . 0.0 111.024 -162.773 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.115 0 N-CA-C 108.542 -1.823 . . . . 0.0 108.542 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 35.8 p 55.56 -159.17 0.21 Allowed 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.197 0.999 . . . . 0.0 109.93 -155.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -122.05 14.03 10.59 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.92 1.288 . . . . 0.0 110.653 166.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 40.5 ttm -60.73 107.41 0.69 Allowed 'General case' 0 C--N 1.345 0.407 0 C-N-CA 123.838 0.855 . . . . 0.0 110.8 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -177.33 110.91 0.08 Allowed 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 128.594 2.758 . . . . 0.0 106.694 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -165.04 146.6 6.43 Favored Pre-proline 0 N--CA 1.447 -0.625 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -158.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -81.64 44.94 1.83 Allowed 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 124.507 3.471 . . . . 0.0 112.115 -168.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 16.8 mp0 -128.1 -63.42 1.01 Allowed 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.694 1.198 . . . . 0.0 109.809 177.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -57.41 90.8 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.868 1.267 . . . . 0.0 111.864 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 60.7 m170 -126.32 168.64 13.86 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 125.54 1.536 . . . . 0.0 110.402 -167.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.09 101.92 4.27 Favored 'General case' 0 C--N 1.338 0.103 0 C-N-CA 124.052 0.941 . . . . 0.0 109.666 -165.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 52.7 mt -89.65 101.1 11.79 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 172.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 tt -68.03 120.72 14.72 Favored 'General case' 0 N--CA 1.447 -0.619 0 O-C-N 120.373 -1.454 . . . . 0.0 108.891 173.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 4.2 t -130.1 -173.21 2.98 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 126.507 1.923 . . . . 0.0 108.942 174.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.7 m -127.17 156.77 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 123.911 0.884 . . . . 0.0 109.062 169.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 11.4 t -73.74 130.82 40.76 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 123.138 0.575 . . . . 0.0 110.45 -178.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 5.8 t -60.98 -35.64 77.34 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -174.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.85 -11.65 16.15 Favored 'General case' 0 C--N 1.342 0.247 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -167.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.0 p -139.17 2.89 2.13 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 18.7 t0 55.91 21.37 4.84 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.721 2.008 . . . . 0.0 114.139 177.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.15 148.04 40.38 Favored Glycine 0 C--N 1.339 0.743 0 N-CA-C 109.939 -1.264 . . . . 0.0 109.939 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -67.48 119.03 11.62 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 125.047 1.339 . . . . 0.0 108.583 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 2.4 mt -125.3 114.17 38.66 Favored 'Isoleucine or valine' 0 C--N 1.342 0.257 0 CA-C-O 121.774 0.797 . . . . 0.0 109.403 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -81.67 87.32 6.3 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 170.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 50.0 mt -68.12 98.19 0.77 Allowed 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -169.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 49.3 m -90.95 104.88 17.41 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 -172.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 9.0 m -121.32 140.54 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 105.15 -2.167 . . . . 0.0 105.15 -176.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -110.76 79.63 1.22 Allowed 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 -166.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -151.63 155.2 37.89 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-O 121.406 0.622 . . . . 0.0 111.915 -174.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.2 m -49.91 142.11 9.52 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 127.01 2.124 . . . . 0.0 110.249 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.38 -38.71 63.61 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -168.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -81.58 -25.17 36.0 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -178.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -71.74 -42.95 66.63 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.809 1.243 . . . . 0.0 108.766 172.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.84 -46.57 78.13 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.203 1.401 . . . . 0.0 110.451 168.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -62.77 -47.91 81.48 Favored 'General case' 0 CA--C 1.51 -0.559 0 C-N-CA 125.395 1.478 . . . . 0.0 108.302 -177.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 41.0 m -55.74 -47.78 76.36 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.6 -31.13 71.99 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.826 -0.546 . . . . 0.0 112.39 175.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -65.65 -34.25 77.78 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 120.848 -1.158 . . . . 0.0 109.18 172.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -69.18 -32.68 72.14 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 119.425 1.011 . . . . 0.0 110.224 174.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 52.5 mt -59.68 -46.14 89.96 Favored 'General case' 0 C--N 1.343 0.324 0 CA-C-N 119.082 0.855 . . . . 0.0 110.455 168.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -60.18 -43.63 95.72 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.168 0.895 . . . . 0.0 111.646 174.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.71 -37.62 82.31 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.846 1.258 . . . . 0.0 111.208 176.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 9.2 t -70.83 -63.31 1.12 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 126.191 1.797 . . . . 0.0 111.827 176.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.99 -35.74 0.32 Allowed 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 115.151 1.538 . . . . 0.0 115.151 -158.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.11 158.01 21.53 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 -159.009 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.3 p -142.19 176.81 8.69 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.03 1.732 . . . . 0.0 109.795 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -137.32 155.32 49.58 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 120.456 -1.403 . . . . 0.0 108.693 176.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . 0.272 1.8 t -137.47 100.23 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 C-N-CA 125.702 1.601 . . . . 0.0 106.872 -174.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 p -57.47 146.24 64.88 Favored Pre-proline 0 N--CA 1.47 0.543 0 C-N-CA 124.674 1.19 . . . . 0.0 110.723 -169.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -57.88 -30.3 89.13 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 121.915 1.743 . . . . 0.0 113.825 -172.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 19.0 t90 -56.24 -63.0 1.33 Allowed 'General case' 0 C--O 1.235 0.301 0 C-N-CA 124.513 1.125 . . . . 0.0 110.268 171.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 1.3 p -69.14 -28.21 66.23 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-O 119.59 -0.243 . . . . 0.0 110.539 -177.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.69 -37.76 88.55 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 117.996 0.362 . . . . 0.0 110.489 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 30.4 m -74.74 -49.58 20.51 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.012 1.725 . . . . 0.0 110.682 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -71.43 -25.69 62.42 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.111 0.564 . . . . 0.0 112.257 -176.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 . . . . . 0 C--O 1.252 1.188 0 C-N-CA 127.631 2.372 . . . . 0.0 111.002 -173.106 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . 1.129 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.953 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -56.16 135.76 52.98 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 165.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.6 t60 47.77 59.83 3.93 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.521 1.128 . . . . 0.0 111.691 -173.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 10.6 ptp -68.71 64.74 0.12 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.701 1.2 . . . . 0.0 113.214 176.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.95 34.02 0.06 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.171 1.788 . . . . 0.0 110.9 161.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -87.0 146.1 39.82 Favored Pre-proline 0 CA--C 1.538 0.484 0 C-N-CA 125.075 1.35 . . . . 0.0 109.859 -166.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -78.26 47.03 2.26 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 125.208 3.939 . . . . 0.0 112.151 -169.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 -129.05 -49.83 1.21 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.29 1.436 . . . . 0.0 111.518 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.9 89.94 0.06 Allowed 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 120.752 1.614 . . . . 0.0 111.129 -173.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -123.99 164.88 18.44 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 123.781 0.832 . . . . 0.0 110.618 -166.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.1 100.74 4.23 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 124.502 1.121 . . . . 0.0 109.204 -164.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.2 mt -85.59 95.8 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 171.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.8 tt -63.64 115.72 5.0 Favored 'General case' 0 N--CA 1.445 -0.675 0 O-C-N 121.015 -1.053 . . . . 0.0 108.225 169.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.0 t -124.25 -169.69 2.01 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 124.505 1.122 . . . . 0.0 109.09 171.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.8 m -119.46 161.19 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 164.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.153 ' SG ' 'ZN ' ' A' ' 57' ' ' ' ZN' . 14.2 t -67.12 127.96 34.57 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 173.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.2 t -48.65 -35.82 14.59 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.538 1.935 . . . . 0.0 112.394 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.66 -7.45 10.08 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -172.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -115.62 -12.63 11.56 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.32 1.048 . . . . 0.0 113.566 177.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.9 t0 54.72 20.8 3.15 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.968 1.707 . . . . 0.0 113.248 -173.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.41 147.28 20.62 Favored Glycine 0 C--N 1.341 0.851 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 -178.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -64.75 122.4 16.8 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 125.093 1.357 . . . . 0.0 109.095 -175.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.5 mt -128.26 130.49 69.45 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.174 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 173.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -97.54 85.61 3.65 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 123.974 0.91 . . . . 0.0 108.743 175.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.5 mt -71.34 100.12 2.09 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.044 -166.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.1 m -90.97 113.21 25.39 Favored 'General case' 0 N--CA 1.436 -1.151 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 -172.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.4 m -121.68 121.66 64.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 N-CA-C 103.513 -2.773 . . . . 0.0 103.513 178.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -81.37 100.75 9.41 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 104.684 -2.339 . . . . 0.0 104.684 170.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -158.16 155.57 29.33 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 122.804 0.442 . . . . 0.0 109.834 173.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.5 m -54.84 145.67 19.24 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.984 0.914 . . . . 0.0 110.142 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.51 -39.33 64.53 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -168.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -92.67 -15.36 26.85 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -173.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -63.5 -46.15 87.43 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 159.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.65 -36.06 79.73 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.816 1.647 . . . . 0.0 112.416 174.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -72.06 -44.38 63.42 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 127.276 2.23 . . . . 0.0 109.78 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.7 m -56.28 -47.13 79.21 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 172.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.7 -37.94 74.36 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.324 1.45 . . . . 0.0 112.371 170.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -62.94 -34.36 77.31 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 119.943 -1.723 . . . . 0.0 110.609 173.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -69.7 -32.3 70.82 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 121.646 -0.659 . . . . 0.0 109.746 173.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.8 mt -64.88 -31.2 72.32 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 118.639 0.654 . . . . 0.0 112.612 169.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -64.73 -49.4 70.98 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.952 1.251 . . . . 0.0 110.175 167.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.9 mt -62.48 -26.13 68.37 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.067 0.547 . . . . 0.0 112.373 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.8 t -67.19 -81.78 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.939 2.496 . . . . 0.0 109.882 167.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.7 p -138.74 -19.81 1.03 Allowed 'General case' 0 C--N 1.346 0.434 0 N-CA-C 116.228 1.936 . . . . 0.0 116.228 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 tt -71.23 144.37 50.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 122.35 1.071 . . . . 0.0 113.464 -161.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.9 m -152.69 166.46 32.09 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 124.734 1.213 . . . . 0.0 107.827 158.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -109.8 160.38 16.39 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.981 0.896 . . . . 0.0 109.594 -167.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.459 ' CG1' ' SG ' ' A' ' 52' ' ' CYS . 2.3 t -138.89 90.76 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 N-CA-C 103.496 -2.779 . . . . 0.0 103.496 -158.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.9 p -53.59 149.9 14.39 Favored Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 115.078 -0.964 . . . . 0.0 109.293 -176.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -55.91 -30.41 77.27 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 121.817 1.678 . . . . 0.0 113.569 -173.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -55.63 -61.23 2.49 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.954 0.902 . . . . 0.0 110.965 168.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.493 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -67.08 -30.25 70.24 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-O 118.988 -0.53 . . . . 0.0 111.692 -177.751 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.66 -36.6 84.79 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 118.313 0.506 . . . . 0.0 110.455 175.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.3 m -76.85 -45.03 29.92 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.152 0.981 . . . . 0.0 111.418 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.37 -45.82 18.8 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.699 0.8 . . . . 0.0 112.0 -174.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.079 0 C-N-CA 128.136 2.575 . . . . 0.0 112.167 -170.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.274 0 N-CA-C 107.364 -2.294 . . . . 0.0 107.364 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t 54.23 -172.59 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 117.253 0.527 . . . . 0.0 109.858 -135.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -137.58 90.96 2.55 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.217 1.007 . . . . 0.0 108.45 172.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -56.38 138.92 50.29 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 125.601 1.56 . . . . 0.0 109.594 173.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.68 19.01 3.3 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 125.551 1.54 . . . . 0.0 113.488 -174.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -89.48 152.28 47.16 Favored Pre-proline 0 CA--C 1.542 0.671 0 C-N-CA 124.107 0.963 . . . . 0.0 110.261 -166.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -76.17 58.55 5.66 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 124.853 3.702 . . . . 0.0 111.941 -176.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -128.23 -52.26 1.3 Allowed 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 126.043 1.737 . . . . 0.0 109.21 172.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.47 91.88 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.561 1.145 . . . . 0.0 110.779 -178.147 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 50.7 m170 -126.8 166.95 16.48 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 123.805 0.842 . . . . 0.0 111.256 -168.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.36 105.7 5.52 Favored 'General case' 0 C--N 1.341 0.23 0 C-N-CA 124.967 1.307 . . . . 0.0 109.363 -170.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 72.8 mt -89.43 97.09 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 170.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 tt -64.13 114.84 4.44 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 120.971 -1.081 . . . . 0.0 108.4 168.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 2.8 t -123.03 -169.54 1.95 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.693 1.197 . . . . 0.0 109.134 170.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.3 m -118.24 162.51 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 164.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . 1.127 ' SG ' 'ZN ' ' B' ' 57' ' ' ' ZN' . 27.1 t -66.34 127.76 33.49 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 170.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 43.5 t -47.98 -36.8 13.27 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.607 1.963 . . . . 0.0 112.345 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.59 -9.06 9.87 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -172.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -113.62 -11.15 13.04 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.905 0.882 . . . . 0.0 113.033 178.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 t0 53.81 21.55 2.79 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.165 1.786 . . . . 0.0 113.285 -174.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.34 146.91 19.25 Favored Glycine 0 C--N 1.34 0.794 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -177.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -65.12 121.64 15.2 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 125.34 1.456 . . . . 0.0 109.304 -175.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 8.5 mt -127.12 126.1 67.48 Favored 'Isoleucine or valine' 0 C--N 1.34 0.174 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 174.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -93.75 85.91 4.97 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 124.059 0.944 . . . . 0.0 108.824 175.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.3 mt -71.17 98.23 1.66 Allowed 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.063 -167.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 24.0 m -86.14 112.24 21.12 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 -175.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 m -122.76 120.16 60.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 103.301 -2.852 . . . . 0.0 103.301 178.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.409 ' HG3' ' CG2' ' A' ' 48' ' ' VAL . 5.9 mt-10 -83.65 99.37 10.16 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 104.526 -2.398 . . . . 0.0 104.526 172.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -157.69 155.53 30.14 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 123.038 0.535 . . . . 0.0 109.737 174.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.0 m -55.88 147.19 19.89 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.108 0.963 . . . . 0.0 110.133 -178.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.29 -40.83 65.02 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -168.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -92.41 -14.9 27.92 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -173.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -63.86 -45.89 87.46 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 160.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.25 -38.65 84.13 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.615 1.566 . . . . 0.0 111.919 174.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -70.84 -44.56 66.2 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 127.463 2.305 . . . . 0.0 109.734 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 29.5 m -57.0 -46.7 82.1 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 173.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.11 -37.87 75.39 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.327 1.451 . . . . 0.0 112.296 171.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -62.86 -34.98 78.49 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 120.101 -1.625 . . . . 0.0 110.137 173.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -70.26 -31.16 68.41 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.589 -0.694 . . . . 0.0 110.019 173.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 73.3 mt -65.95 -30.4 70.96 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 118.847 0.748 . . . . 0.0 112.398 170.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -64.26 -49.41 71.98 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.96 1.255 . . . . 0.0 109.914 167.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 70.8 mt -63.26 -27.15 69.15 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 5.2 t -64.31 -78.77 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 127.673 2.389 . . . . 0.0 109.678 167.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 40.4 p -143.22 -22.6 0.62 Allowed 'General case' 0 C--N 1.343 0.298 0 N-CA-C 115.931 1.826 . . . . 0.0 115.931 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 tt -69.81 145.13 52.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 122.24 1.019 . . . . 0.0 113.197 -161.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.8 m -152.23 164.91 36.41 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 158.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -105.54 160.7 14.96 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 122.177 0.989 . . . . 0.0 109.585 -168.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.448 ' CG1' ' SG ' ' B' ' 52' ' ' CYS . 2.6 t -138.83 90.82 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 N-CA-C 103.238 -2.875 . . . . 0.0 103.238 -158.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 p -53.08 148.29 14.95 Favored Pre-proline 0 CA--C 1.533 0.327 0 CA-C-N 114.957 -1.02 . . . . 0.0 108.962 -176.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -55.66 -28.84 67.91 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 122.239 1.959 . . . . 0.0 113.905 -170.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 21.4 t90 -54.41 -65.57 0.55 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.373 1.469 . . . . 0.0 110.711 166.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.513 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 0.5 OUTLIER -67.91 -26.74 66.13 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-N 118.801 0.728 . . . . 0.0 112.302 -178.925 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.37 -49.06 79.27 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 121.201 -0.937 . . . . 0.0 109.207 174.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 19.9 m -70.84 -51.42 26.68 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.729 1.612 . . . . 0.0 111.382 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -88.78 -12.19 42.79 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.07 0.948 . . . . 0.0 112.948 -167.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.766 2.026 . . . . 0.0 110.097 -167.123 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . 1.153 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ' ZN' . . . . . 1.127 'ZN ' ' SG ' ' B' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.067 0 N-CA-C 109.951 -1.259 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m -64.86 168.97 5.61 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.713 0.805 . . . . 0.0 111.269 174.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -141.05 -175.88 4.48 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 163.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.7 ttt -127.95 167.53 16.52 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 124.867 1.267 . . . . 0.0 107.789 170.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -149.9 157.48 43.21 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 106.053 -1.832 . . . . 0.0 106.053 163.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -142.52 148.17 45.84 Favored Pre-proline 0 C--O 1.238 0.466 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -76.46 54.55 4.37 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 124.757 3.638 . . . . 0.0 111.34 -178.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.3 mp0 -130.28 -53.41 1.11 Allowed 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.439 1.496 . . . . 0.0 110.009 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.51 93.47 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 120.524 1.511 . . . . 0.0 110.496 -175.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 44.0 m170 -127.1 166.37 17.77 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 118.53 0.605 . . . . 0.0 110.325 -169.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.1 mtpt -141.95 94.67 2.7 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.165 0.986 . . . . 0.0 109.304 -161.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.4 mt -83.74 94.4 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 172.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt -65.19 109.25 2.14 Favored 'General case' 0 N--CA 1.446 -0.636 0 O-C-N 120.652 -1.28 . . . . 0.0 108.546 166.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.7 t -117.42 -171.82 2.11 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.165 0.986 . . . . 0.0 109.235 171.108 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.8 m -120.81 155.01 24.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 124.157 0.983 . . . . 0.0 108.989 172.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.1 t -73.04 131.77 42.54 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.143 -177.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.5 t -61.44 -34.53 75.58 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.413 0.685 . . . . 0.0 112.09 -173.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.15 -17.0 15.07 Favored 'General case' 0 C--N 1.346 0.424 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -173.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.3 p -134.75 3.61 3.26 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -175.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.5 t0 57.06 15.07 2.21 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.892 2.077 . . . . 0.0 114.096 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.08 147.66 39.89 Favored Glycine 0 C--N 1.339 0.723 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 -177.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -63.23 116.28 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 125.369 1.467 . . . . 0.0 109.243 178.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.4 mt -118.81 112.32 37.4 Favored 'Isoleucine or valine' 0 C--N 1.341 0.208 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 175.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -84.45 85.1 7.44 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.859 1.263 . . . . 0.0 109.185 174.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.3 mt -73.07 94.65 1.93 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.445 -0.798 . . . . 0.0 108.892 -171.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.1 m -80.86 109.29 15.28 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 177.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.5 m -124.41 117.86 51.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 N-CA-C 103.951 -2.611 . . . . 0.0 103.951 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.455 ' HG3' ' CG2' ' B' ' 48' ' ' VAL . 5.5 mt-10 -86.2 102.97 14.39 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 178.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -163.82 157.5 18.95 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 123.851 0.86 . . . . 0.0 110.083 174.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.1 m -52.35 143.76 14.37 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.814 1.246 . . . . 0.0 110.542 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.44 -41.05 68.95 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -170.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -71.67 -32.47 67.92 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.855 0.862 . . . . 0.0 112.688 -178.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -67.89 -46.81 70.6 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.533 1.133 . . . . 0.0 108.673 174.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.79 -40.41 72.66 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 125.305 1.442 . . . . 0.0 111.88 172.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -73.49 -43.45 60.09 Favored 'General case' 0 CA--C 1.506 -0.717 0 C-N-CA 126.847 2.059 . . . . 0.0 109.351 -176.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 46.0 m -53.91 -51.86 62.38 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 170.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.56 -39.3 64.65 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.13 1.372 . . . . 0.0 111.936 170.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -67.76 -28.84 67.96 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 120.148 -1.595 . . . . 0.0 111.213 176.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -70.58 -35.61 73.14 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 119.064 0.847 . . . . 0.0 109.487 172.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.96 -37.71 83.35 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.572 0.624 . . . . 0.0 110.881 171.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -60.5 -53.5 56.81 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 118.698 0.681 . . . . 0.0 110.216 170.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.6 mt -62.55 -25.95 68.32 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.558 0.743 . . . . 0.0 112.282 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.5 t -72.82 -69.71 0.4 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 126.641 1.976 . . . . 0.0 110.236 173.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.8 p -145.22 -29.97 0.43 Allowed 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 114.511 1.301 . . . . 0.0 114.511 -172.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.6 tt -70.52 149.22 47.39 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 122.815 1.293 . . . . 0.0 111.54 -163.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 62.9 m -142.8 171.08 14.54 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 159.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -111.06 157.14 20.31 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 178.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . 0.332 0.4 OUTLIER -135.2 106.8 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.966 0 N-CA-C 107.316 -1.365 . . . . 0.0 107.316 177.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 p -57.38 146.51 62.89 Favored Pre-proline 0 C--N 1.344 0.339 0 C-N-CA 125.843 1.657 . . . . 0.0 110.691 -165.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -60.98 -29.71 88.49 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.121 1.88 . . . . 0.0 112.743 -172.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -54.05 -67.09 0.29 Allowed 'General case' 0 C--O 1.235 0.292 0 C-N-CA 124.534 1.134 . . . . 0.0 109.546 169.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.9 p -66.53 -29.78 69.95 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 118.888 -0.577 . . . . 0.0 110.732 -175.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.97 -33.21 74.21 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 118.585 0.63 . . . . 0.0 110.444 -179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.4 m -77.43 -43.06 33.78 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.921 1.289 . . . . 0.0 111.002 175.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -67.06 -32.98 74.53 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 118.668 0.667 . . . . 0.0 111.461 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 . . . . . 0 C--O 1.251 1.184 0 C-N-CA 128.421 2.688 . . . . 0.0 111.236 -164.522 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.411 ' H1 ' ' CD ' ' B' ' 6' ' ' GLU . . . . . . . . 0 N--CA 1.467 0.708 0 N-CA-C 108.793 -1.723 . . . . 0.0 108.793 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 32.9 t -149.23 172.34 15.01 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.116 0.958 . . . . 0.0 110.009 -169.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -75.86 -18.74 59.32 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.676 0.791 . . . . 0.0 111.083 161.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 56.0 tpp -66.68 134.64 52.68 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 165.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.46 71.32 0.93 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.012 0.925 . . . . 0.0 109.943 172.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . 0.411 ' CD ' ' H1 ' ' B' ' 1' ' ' GLY . 10.6 pt-20 -70.65 146.24 93.41 Favored Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 124.575 1.15 . . . . 0.0 111.141 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -85.79 43.02 1.1 Allowed 'Trans proline' 0 CA--C 1.542 0.924 0 C-N-CA 124.949 3.766 . . . . 0.0 110.342 169.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -127.91 -62.76 1.05 Allowed 'General case' 0 C--N 1.344 0.355 0 CA-C-O 117.195 -1.384 . . . . 0.0 110.303 -178.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.96 96.32 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.646 1.566 . . . . 0.0 112.043 176.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 43.3 m170 -128.33 170.21 13.34 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.39 1.076 . . . . 0.0 110.237 -173.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -137.52 97.12 3.38 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 124.836 1.255 . . . . 0.0 108.785 -166.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 50.1 mt -83.68 98.51 5.48 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.197 0 N-CA-C 105.858 -1.904 . . . . 0.0 105.858 170.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.13 109.78 1.95 Allowed 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 166.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 6.2 t -114.45 -171.59 1.95 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.297 1.439 . . . . 0.0 108.162 170.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 21.5 m -122.09 158.35 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 166.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . 1.149 ' SG ' 'ZN ' ' B' ' 57' ' ' ' ZN' . 22.0 t -68.69 125.98 28.27 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 174.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 31.8 t -46.79 -38.0 9.46 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.372 1.869 . . . . 0.0 112.484 178.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.16 -8.06 10.21 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 -170.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -112.41 -13.21 13.43 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.454 1.102 . . . . 0.0 113.117 175.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 23.0 t0 50.15 27.83 2.76 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.796 2.038 . . . . 0.0 113.1 -172.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.34 147.97 18.82 Favored Glycine 0 C--N 1.34 0.776 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -62.54 120.16 10.6 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 125.944 1.698 . . . . 0.0 109.312 -176.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 8.1 mt -122.33 118.72 56.23 Favored 'Isoleucine or valine' 0 C--N 1.341 0.197 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 172.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -82.82 88.61 6.77 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 124.789 1.236 . . . . 0.0 109.021 171.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.9 mt -72.61 99.72 2.61 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -174.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 11.5 m -82.48 97.76 8.57 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 2.5 m -116.58 130.05 72.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 N-CA-C 103.847 -2.649 . . . . 0.0 103.847 -177.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -105.9 102.13 11.59 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 -171.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.7 t -166.45 160.78 15.8 Favored 'General case' 0 C--N 1.341 0.211 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 177.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 16.6 m -52.33 143.66 14.49 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.321 1.049 . . . . 0.0 110.428 176.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.14 -42.15 69.23 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -169.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.75 -30.58 68.2 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -178.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -71.0 -46.53 62.1 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.465 1.106 . . . . 0.0 108.56 176.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.2 -36.54 66.05 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 126.312 1.845 . . . . 0.0 112.192 170.62 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -80.2 -39.9 28.24 Favored 'General case' 0 CA--C 1.508 -0.66 0 C-N-CA 127.285 2.234 . . . . 0.0 109.985 -175.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 49.2 m -55.25 -51.41 66.71 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 168.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tp -54.75 -35.62 63.94 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.442 1.497 . . . . 0.0 112.153 169.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -68.2 -31.35 70.8 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 119.892 -1.755 . . . . 0.0 111.298 174.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -69.82 -35.25 74.63 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 119.026 0.83 . . . . 0.0 109.235 173.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 42.7 mt -60.77 -38.33 84.9 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 118.848 -0.596 . . . . 0.0 110.787 169.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -62.94 -46.31 88.36 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.096 0.862 . . . . 0.0 110.72 173.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 68.8 mt -66.08 -23.96 66.62 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.334 0.654 . . . . 0.0 112.23 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 28.9 t -76.81 -71.55 0.39 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.14 1.776 . . . . 0.0 110.687 174.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 42.0 p -147.44 -32.28 0.29 Allowed 'General case' 0 C--O 1.235 0.319 0 C-N-CA 125.01 1.324 . . . . 0.0 113.607 -174.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 28.7 tp -57.56 131.99 51.85 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.63 0.772 . . . . 0.0 109.6 -168.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.8 m -138.53 154.21 48.76 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 176.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -114.6 156.08 25.35 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.789 0.804 . . . . 0.0 109.346 -172.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.455 ' CG2' ' HG3' ' A' ' 28' ' ' GLU . 2.1 t -141.19 90.01 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 N-CA-C 102.793 -3.04 . . . . 0.0 102.793 -158.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 1.1 p -51.43 147.16 10.99 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 114.791 -1.095 . . . . 0.0 108.795 -175.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -56.76 -28.03 74.21 Favored 'Trans proline' 0 C--N 1.351 0.659 0 CA-C-N 120.74 1.3 . . . . 0.0 112.92 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -55.93 -59.61 4.65 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.379 1.072 . . . . 0.0 111.57 167.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.475 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 0.8 OUTLIER -66.59 -32.59 74.02 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 118.567 0.621 . . . . 0.0 111.434 -178.589 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.57 -40.8 98.03 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 117.653 0.206 . . . . 0.0 110.536 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 26.4 m -77.95 -52.09 9.36 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.109 1.364 . . . . 0.0 111.267 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.06 -49.05 25.82 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.62 0.768 . . . . 0.0 110.557 -174.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.254 1.329 0 C-N-CA 127.685 2.394 . . . . 0.0 111.751 -172.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ' ZN' . . . . . 1.149 'ZN ' ' SG ' ' B' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.148 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.2 t -151.51 168.0 26.28 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 172.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -116.82 9.94 14.05 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.644 1.578 . . . . 0.0 110.475 170.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.2 ttt 71.56 148.81 0.09 Allowed 'General case' 0 C--N 1.346 0.414 0 C-N-CA 128.091 2.556 . . . . 0.0 109.742 -158.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -150.92 168.09 25.56 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 126.688 1.995 . . . . 0.0 105.948 166.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -140.65 160.78 57.68 Favored Pre-proline 0 C--O 1.238 0.484 0 C-N-CA 125.019 1.328 . . . . 0.0 107.86 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.08 69.47 3.88 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 123.585 2.856 . . . . 0.0 110.398 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -129.48 -74.22 0.56 Allowed 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 126.255 1.822 . . . . 0.0 107.192 -177.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.47 96.8 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 125.853 1.661 . . . . 0.0 110.259 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 45.5 m170 -123.14 156.45 35.0 Favored 'General case' 0 CA--C 1.523 -0.081 0 C-N-CA 123.987 0.915 . . . . 0.0 109.974 -174.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -131.21 88.93 2.65 Favored 'General case' 0 N--CA 1.457 -0.097 0 C-N-CA 124.458 1.103 . . . . 0.0 108.648 -163.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.0 mt -83.54 100.23 6.88 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 176.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tt -68.26 114.77 7.01 Favored 'General case' 0 N--CA 1.447 -0.604 0 O-C-N 120.779 -1.201 . . . . 0.0 108.844 174.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.4 t -131.04 -166.56 1.72 Allowed 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.868 1.667 . . . . 0.0 108.584 175.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.4 m -121.24 154.81 25.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 167.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.127 ' SG ' 'ZN ' ' A' ' 57' ' ' ' ZN' . 19.3 t -69.97 126.81 30.8 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 171.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.1 t -51.62 -31.57 25.72 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.611 1.164 . . . . 0.0 113.025 -178.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.414 ' HE2' ' OE2' ' B' ' 28' ' ' GLU . 1.2 ptpm? -125.97 -2.74 7.1 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 125.119 1.368 . . . . 0.0 113.991 -162.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 m -108.68 -17.74 13.88 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.372 1.069 . . . . 0.0 112.061 165.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.0 t0 38.94 57.92 1.84 Allowed 'General case' 0 C--N 1.344 0.344 0 C-N-CA 126.114 1.766 . . . . 0.0 111.474 -160.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.3 149.71 19.29 Favored Glycine 0 C--N 1.338 0.658 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -61.81 115.57 4.11 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 127.062 2.145 . . . . 0.0 109.374 -173.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.4 mt -112.43 118.21 57.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 167.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -78.02 86.75 4.19 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 162.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.6 mt -65.03 96.67 0.2 Allowed 'General case' 0 C--N 1.344 0.346 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 -170.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.2 m -88.13 95.87 10.31 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 -177.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.0 m -113.47 143.43 23.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 N-CA-C 105.012 -2.218 . . . . 0.0 105.012 177.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -107.72 88.71 2.8 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 103.093 -2.928 . . . . 0.0 103.093 -169.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.3 m -151.21 128.3 11.13 Favored 'General case' 0 N--CA 1.443 -0.804 0 O-C-N 120.327 -1.483 . . . . 0.0 111.249 -158.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.0 m -60.72 140.36 57.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 118.027 -0.987 . . . . 0.0 108.631 -174.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.67 -37.67 29.53 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -162.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -97.53 -17.12 19.77 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 122.538 1.161 . . . . 0.0 113.645 -175.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -70.95 -39.24 72.71 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 124.573 1.149 . . . . 0.0 108.419 163.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 tt -64.05 -42.08 97.15 Favored 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 125.617 1.567 . . . . 0.0 110.697 172.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -58.68 -45.52 89.27 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 126.158 1.783 . . . . 0.0 109.567 172.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 33.4 m -57.5 -50.18 73.89 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.82 -36.78 65.35 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.265 1.026 . . . . 0.0 111.787 170.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -68.64 -30.0 68.61 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 120.286 -1.508 . . . . 0.0 110.492 177.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -69.88 -35.45 74.67 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 121.488 -0.758 . . . . 0.0 109.638 171.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 71.4 mt -64.24 -27.91 69.37 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 118.648 0.658 . . . . 0.0 112.057 169.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -65.04 -47.9 75.76 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.834 1.254 . . . . 0.0 110.39 169.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 78.8 mt -67.76 -25.81 65.8 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.9 0.88 . . . . 0.0 112.859 176.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.4 t -65.65 -81.96 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.822 2.049 . . . . 0.0 109.233 170.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.2 p -139.07 -14.88 1.15 Allowed 'General case' 0 C--N 1.345 0.38 0 N-CA-C 116.319 1.97 . . . . 0.0 116.319 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.2 tt -71.81 105.41 3.77 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -166.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.1 p -90.32 173.17 8.27 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 158.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -126.82 149.9 49.46 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 122.046 0.927 . . . . 0.0 111.18 -176.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.8 t -143.5 91.33 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 C-N-CA 128.176 2.591 . . . . 0.0 107.61 -162.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.2 p -58.19 157.58 16.47 Favored Pre-proline 0 CA--C 1.544 0.713 0 C-N-CA 125.237 1.415 . . . . 0.0 112.02 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -56.6 -27.48 69.94 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 122.116 1.878 . . . . 0.0 115.597 -173.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -58.82 -67.09 0.4 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.775 1.23 . . . . 0.0 110.12 174.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.436 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 19.1 p -66.52 -25.25 66.58 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-O 118.645 -0.693 . . . . 0.0 111.996 177.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.77 -33.52 75.33 Favored 'General case' 0 N--CA 1.438 -1.071 0 C-N-CA 118.698 -1.201 . . . . 0.0 110.247 175.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.7 m -76.88 -48.57 17.92 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.469 1.508 . . . . 0.0 110.81 173.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -72.8 -46.89 50.81 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 118.429 -0.795 . . . . 0.0 112.642 -171.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 . . . . . 0 C--O 1.253 1.269 1 C-N-CA 134.289 5.036 . . . . 0.0 110.542 -176.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.261 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 67.1 p -121.75 173.85 7.21 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 118.509 1.154 . . . . 0.0 109.524 172.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -82.26 -41.99 19.45 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.595 1.158 . . . . 0.0 108.403 176.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 1.2 pmm? -154.99 -163.3 1.53 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.842 2.057 . . . . 0.0 107.836 170.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.29 115.7 20.79 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 158.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -139.6 145.02 41.72 Favored Pre-proline 0 CA--C 1.537 0.461 0 C-N-CA 123.657 0.783 . . . . 0.0 110.493 -158.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -81.5 41.41 1.13 Allowed 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 124.98 3.787 . . . . 0.0 112.644 -162.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 -128.1 -56.33 1.26 Allowed 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 125.307 1.443 . . . . 0.0 109.589 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.7 89.73 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.844 1.657 . . . . 0.0 111.609 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 57.8 m170 -127.53 167.88 15.7 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.463 1.505 . . . . 0.0 110.062 -168.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.79 96.76 3.13 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 123.868 0.867 . . . . 0.0 109.482 -161.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 38.4 mt -88.13 99.57 9.07 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 173.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 tt -66.41 118.31 9.88 Favored 'General case' 0 N--CA 1.447 -0.595 0 O-C-N 120.651 -1.281 . . . . 0.0 108.698 171.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 t -126.64 -173.7 2.94 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 126.138 1.775 . . . . 0.0 108.348 171.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 15.3 m -125.39 154.76 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 169.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . 0.412 ' SG ' ' SG ' ' B' ' 52' ' ' CYS . 12.7 t -72.01 131.58 43.09 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.146 -178.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 7.5 t -59.45 -39.01 82.22 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -173.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.98 -15.13 18.4 Favored 'General case' 0 C--N 1.342 0.263 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -168.678 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 27.2 p -137.25 2.48 2.52 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -173.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 20.3 t0 55.14 20.37 3.31 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.606 1.963 . . . . 0.0 113.916 178.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.6 146.11 38.21 Favored Glycine 0 C--N 1.34 0.75 0 N-CA-C 109.624 -1.391 . . . . 0.0 109.624 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -66.23 116.65 7.51 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 124.968 1.307 . . . . 0.0 108.558 178.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 3.1 mt -122.42 111.26 29.6 Favored 'Isoleucine or valine' 0 C--N 1.341 0.22 0 CA-C-N 118.819 0.736 . . . . 0.0 109.113 176.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -77.86 87.04 4.08 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 167.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 48.9 mt -66.54 96.31 0.37 Allowed 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 -173.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 38.9 m -88.98 101.72 14.36 Favored 'General case' 0 N--CA 1.438 -1.058 0 N-CA-C 106.566 -1.642 . . . . 0.0 106.566 -174.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 7.6 m -120.69 140.85 43.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 105.021 -2.214 . . . . 0.0 105.021 -176.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.414 ' OE2' ' HE2' ' A' ' 18' ' ' LYS . 4.1 tt0 -112.23 80.25 1.31 Allowed 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 104.931 -2.248 . . . . 0.0 104.931 -160.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -152.19 155.69 38.29 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.343 0.592 . . . . 0.0 111.537 -173.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.0 m -52.42 143.54 15.06 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.364 1.865 . . . . 0.0 109.935 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.61 -36.03 61.55 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -165.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.64 -16.06 23.48 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -176.06 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.51 -42.62 82.52 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 123.86 0.864 . . . . 0.0 108.721 162.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.4 -45.22 94.36 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.513 1.125 . . . . 0.0 110.42 172.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -60.69 -48.12 83.21 Favored 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 126.296 1.839 . . . . 0.0 108.463 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 36.0 m -56.92 -47.26 81.01 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.49 -28.74 68.1 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.782 0.719 . . . . 0.0 112.602 176.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -65.13 -35.62 81.67 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.087 -1.008 . . . . 0.0 108.953 171.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -67.8 -36.37 80.31 Favored 'General case' 0 C--N 1.343 0.307 0 CA-C-N 119.203 0.91 . . . . 0.0 109.983 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 60.1 mt -57.95 -44.96 87.28 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.823 0.738 . . . . 0.0 110.354 169.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -62.57 -42.74 99.74 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.104 0.865 . . . . 0.0 111.153 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 45.1 mt -64.94 -30.05 71.02 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.557 0.743 . . . . 0.0 112.1 176.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 22.0 t -79.5 -56.14 4.54 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.865 1.266 . . . . 0.0 111.572 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.9 p -149.48 -30.64 0.23 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.652 1.581 . . . . 0.0 115.265 -158.455 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 tp -93.68 155.86 17.02 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -158.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.8 p -140.91 176.5 8.75 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.77 1.628 . . . . 0.0 110.176 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -137.46 155.46 49.29 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 120.817 -1.177 . . . . 0.0 109.101 178.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . 0.256 1.5 t -139.46 103.31 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.828 0 C-N-CA 125.606 1.563 . . . . 0.0 107.543 -174.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 p -60.11 147.23 81.17 Favored Pre-proline 0 N--CA 1.47 0.563 0 C-N-CA 125.311 1.444 . . . . 0.0 110.538 -172.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -59.75 -30.93 93.24 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.386 2.058 . . . . 0.0 113.88 -171.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 20.2 t90 -58.79 -59.74 4.95 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 123.85 0.86 . . . . 0.0 109.875 173.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.412 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 0.5 OUTLIER -68.94 -29.41 67.64 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 119.126 -0.464 . . . . 0.0 110.681 -178.197 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.34 -33.53 76.19 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 123.196 0.599 . . . . 0.0 111.075 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 39.5 m -73.92 -47.05 40.49 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.379 1.471 . . . . 0.0 110.331 174.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -70.16 -44.89 67.89 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.21 0.604 . . . . 0.0 111.898 -175.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.254 1.313 0 C-N-CA 129.854 3.262 . . . . 0.0 114.081 173.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . 1.127 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.094 0 N-CA-C 108.958 -1.657 . . . . 0.0 108.958 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -72.41 38.13 0.07 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.218 1.407 . . . . 0.0 111.955 170.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 176.36 152.46 0.17 Allowed 'General case' 0 C--O 1.238 0.488 0 C-N-CA 128.831 2.853 . . . . 0.0 106.22 -162.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 52.8 tpp -155.81 151.62 27.42 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.353 1.061 . . . . 0.0 108.14 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.25 152.23 30.07 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 125.254 1.422 . . . . 0.0 107.351 164.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -143.11 157.18 61.04 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 166.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -70.81 166.33 29.26 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 N-CA-C 105.77 -2.435 . . . . 0.0 105.77 158.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . 0.253 1.0 OUTLIER 69.08 -70.32 0.14 Allowed 'General case' 0 N--CA 1.438 -1.041 0 C-N-CA 124.947 1.299 . . . . 0.0 109.412 -177.896 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.06 87.92 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 126.638 1.975 . . . . 0.0 112.633 -174.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -121.73 162.05 21.5 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.464 1.105 . . . . 0.0 109.79 -173.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.63 96.22 3.3 Favored 'General case' 0 CA--C 1.523 -0.075 0 C-N-CA 123.48 0.712 . . . . 0.0 109.802 -161.341 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.4 mt -87.51 101.36 11.28 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.253 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 174.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 tt -65.55 115.22 5.53 Favored 'General case' 0 N--CA 1.447 -0.599 0 O-C-N 120.811 -1.181 . . . . 0.0 108.392 171.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.5 t -133.58 -166.37 1.77 Allowed 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 126.393 1.877 . . . . 0.0 108.228 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.3 m -118.73 157.72 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 166.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.149 ' SG ' 'ZN ' ' A' ' 57' ' ' ' ZN' . 38.1 t -65.33 130.73 44.37 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 167.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 18.0 t -49.73 -36.01 24.11 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.289 1.436 . . . . 0.0 112.545 -178.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.37 -16.09 7.95 Favored 'General case' 0 C--N 1.343 0.291 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 -172.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 m -92.12 -17.62 24.69 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 119.375 0.989 . . . . 0.0 112.057 170.366 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.1 t0 49.13 34.55 6.02 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.443 1.497 . . . . 0.0 111.815 -169.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -106.96 147.34 16.19 Favored Glycine 0 C--N 1.34 0.788 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 -178.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -59.53 112.8 1.92 Allowed 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 126.371 1.868 . . . . 0.0 108.827 -174.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.9 mt -113.18 122.84 68.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 167.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -79.74 86.7 5.3 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 107.653 -1.239 . . . . 0.0 107.653 162.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.1 mt -64.08 95.95 0.13 Allowed 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.573 1.149 . . . . 0.0 108.034 -170.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 56.8 m -89.63 87.39 7.0 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 -172.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.7 m -106.31 145.07 14.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 104.949 -2.241 . . . . 0.0 104.949 -179.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . 0.269 1.7 tt0 -111.76 103.84 12.13 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 101.458 -3.534 . . . . 0.0 101.458 -169.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . 0.284 31.7 m -157.68 142.15 16.32 Favored 'General case' 0 C--O 1.221 -0.424 0 O-C-N 118.796 -2.44 . . . . 0.0 110.397 -158.041 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.3 m -67.68 147.16 53.05 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 121.131 1.787 . . . . 0.0 107.105 173.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.34 -32.51 64.76 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 -163.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -101.45 -16.54 16.81 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -177.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -65.81 -41.41 91.91 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 161.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.9 tt -61.26 -51.68 67.91 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 125.906 1.683 . . . . 0.0 110.781 172.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -52.17 -48.54 64.91 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 125.721 1.608 . . . . 0.0 108.654 177.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.7 m -57.54 -50.96 71.37 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 178.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.83 -41.37 57.56 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.552 1.141 . . . . 0.0 111.409 171.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -70.73 -31.55 68.42 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.262 1.425 . . . . 0.0 109.83 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -69.51 -33.85 73.42 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 119.388 0.994 . . . . 0.0 109.86 172.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.29 -49.62 76.49 Favored 'General case' 0 C--N 1.343 0.31 0 CA-C-N 118.732 0.696 . . . . 0.0 109.954 167.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -58.49 -42.21 87.09 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.472 0.578 . . . . 0.0 111.622 177.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.1 tt -61.05 -35.75 77.73 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.63 1.172 . . . . 0.0 111.639 174.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.4 t -85.52 -55.88 3.79 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.417 1.087 . . . . 0.0 112.479 -174.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.0 p -141.26 -19.06 0.79 Allowed 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.103 1.761 . . . . 0.0 115.605 -158.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mp -115.92 164.12 14.87 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 115.902 1.816 . . . . 0.0 115.902 -158.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.1 m -159.32 174.25 15.04 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.009 1.324 . . . . 0.0 110.496 171.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.21 152.71 35.16 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 125.194 1.398 . . . . 0.0 108.718 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 8.6 t -136.11 100.34 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.045 0 C-N-CA 127.692 2.397 . . . . 0.0 105.832 -171.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.3 p -58.76 156.62 23.56 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 125.346 1.458 . . . . 0.0 111.656 -170.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -58.36 -27.15 80.33 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.555 2.17 . . . . 0.0 114.361 -173.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 16.6 t90 -59.41 -66.77 0.46 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.335 1.054 . . . . 0.0 110.315 173.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 18.8 p -65.01 -27.89 69.13 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 118.97 0.805 . . . . 0.0 111.588 176.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.54 -33.76 73.15 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 118.717 -1.193 . . . . 0.0 110.108 177.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 20.6 m -78.52 -46.71 18.9 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.667 1.587 . . . . 0.0 111.904 172.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.63 -19.3 22.02 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -166.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 . . . . . 0 C--O 1.253 1.246 0 CA-C-O 115.015 -2.421 . . . . 0.0 107.908 -158.527 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.015 0 N-CA-C 106.888 -2.485 . . . . 0.0 106.888 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.2 p -57.12 163.01 2.28 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 139.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -158.5 169.95 23.3 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 126.5 1.92 . . . . 0.0 106.829 177.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 11.9 ptm -74.34 145.19 44.06 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 167.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -160.29 152.8 20.88 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 106.53 -1.656 . . . . 0.0 106.53 158.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -154.9 153.98 28.27 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.499 -160.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -81.78 43.92 1.62 Allowed 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 124.481 3.454 . . . . 0.0 109.658 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -139.36 -65.81 0.47 Allowed 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 125.362 1.465 . . . . 0.0 108.526 -159.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.42 87.1 0.02 OUTLIER 'General case' 0 C--O 1.231 0.128 0 C-N-CA 125.613 1.565 . . . . 0.0 113.072 -174.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -122.76 165.97 15.71 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.056 0.942 . . . . 0.0 110.182 -169.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -142.65 96.74 2.99 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 122.903 0.481 . . . . 0.0 110.013 -158.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 39.6 mt -84.0 103.44 11.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 175.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 tt -66.84 116.55 7.84 Favored 'General case' 0 N--CA 1.45 -0.466 0 O-C-N 120.509 -1.369 . . . . 0.0 108.587 173.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 13.6 t -124.98 -174.25 3.0 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.898 1.679 . . . . 0.0 108.864 175.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 28.9 m -113.77 162.23 12.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 158.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . 1.144 ' SG ' 'ZN ' ' B' ' 57' ' ' ' ZN' . 49.5 t -65.29 126.09 27.09 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 161.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 4.7 t -58.46 -28.58 65.46 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -178.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.87 -19.92 6.01 Favored 'General case' 0 C--N 1.343 0.287 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -170.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 18.5 m -89.36 -15.32 33.6 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 119.358 0.981 . . . . 0.0 112.064 166.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 32.0 t0 42.58 56.23 3.91 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.468 1.907 . . . . 0.0 111.924 -172.262 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -127.38 151.48 18.45 Favored Glycine 0 C--N 1.337 0.6 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 174.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -64.8 129.69 40.71 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 126.073 1.749 . . . . 0.0 109.298 -174.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 13.2 mt -129.45 143.82 39.98 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.19 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 171.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -110.48 86.95 2.41 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 76.0 mt -69.58 98.51 1.16 Allowed 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 114.5 -1.227 . . . . 0.0 108.715 -162.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 57.8 m -88.22 93.49 9.52 Favored 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 -169.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 29.8 m -106.1 123.16 60.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 104.843 -2.28 . . . . 0.0 104.843 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -88.42 98.28 11.53 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 103.088 -2.931 . . . . 0.0 103.088 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 45.3 m -153.25 138.92 17.86 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 124.104 0.962 . . . . 0.0 111.032 -158.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 47.5 m -60.44 141.61 56.17 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 175.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.41 -40.05 58.54 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -167.13 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -92.46 -10.88 36.28 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.958 0.885 . . . . 0.0 113.368 -175.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -79.63 -35.96 38.65 Favored 'General case' 0 N--CA 1.44 -0.964 0 C-N-CA 124.969 1.308 . . . . 0.0 108.429 167.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.2 tt -59.2 -47.09 86.6 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.426 1.091 . . . . 0.0 109.705 165.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -57.69 -49.96 74.78 Favored 'General case' 0 CA--C 1.514 -0.405 0 C-N-CA 125.304 1.442 . . . . 0.0 108.027 177.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 88.4 m -55.77 -52.06 65.26 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.325 0.65 . . . . 0.0 109.677 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.94 -28.32 69.45 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 118.47 0.577 . . . . 0.0 111.977 178.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -67.9 -32.82 73.56 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 120.581 -1.324 . . . . 0.0 109.715 171.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -68.32 -34.55 76.33 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 119.594 1.088 . . . . 0.0 109.597 172.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 23.9 mt -59.83 -41.07 90.52 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.822 167.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -59.65 -45.13 92.95 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.8 1.182 . . . . 0.0 110.425 174.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 60.8 mt -65.35 -20.32 66.34 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 175.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 8.4 t -80.8 -77.64 0.2 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.17 1.788 . . . . 0.0 110.906 172.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.3 p -143.68 1.64 1.18 Allowed 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 -172.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.01 148.31 22.29 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 122.303 1.049 . . . . 0.0 112.609 -172.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.7 p -147.87 178.53 8.43 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 130.025 3.33 . . . . 0.0 107.776 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -135.86 158.29 44.76 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 120.137 -1.602 . . . . 0.0 110.12 176.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 5.1 t -140.32 104.89 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.162 0 C-N-CA 126.407 1.883 . . . . 0.0 107.138 -171.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 2.7 p -58.01 156.33 20.32 Favored Pre-proline 0 CA--C 1.538 0.509 0 C-N-CA 124.142 0.977 . . . . 0.0 112.221 -173.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.41 -22.44 58.65 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 122.169 1.912 . . . . 0.0 113.974 178.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -57.22 -67.69 0.3 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.763 1.225 . . . . 0.0 110.035 170.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.41 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 1.8 p -66.54 -23.89 66.29 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 119.121 0.873 . . . . 0.0 112.535 177.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.88 -41.09 95.31 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 118.35 -1.34 . . . . 0.0 109.767 174.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 22.0 m -76.9 -47.38 21.3 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.984 1.713 . . . . 0.0 111.627 178.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.69 -55.28 5.12 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.406 1.082 . . . . 0.0 111.69 -173.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 . . . . . 0 C--O 1.252 1.235 1 C-N-CA 134.22 5.008 . . . . 0.0 108.225 -160.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . 1.149 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ' ZN' . . . . . 1.144 'ZN ' ' SG ' ' B' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.129 0 N-CA-C 107.335 -2.306 . . . . 0.0 107.335 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 t -67.79 -179.56 1.18 Allowed 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 139.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.417 ' CD2' HE22 ' B' ' 56' ' ' GLN . 30.1 m80 43.81 48.78 6.93 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.359 1.864 . . . . 0.0 111.825 -172.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 28.4 ttt -152.7 150.05 29.04 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.217 1.007 . . . . 0.0 108.793 -175.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 65.27 25.52 12.22 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 126.912 2.085 . . . . 0.0 115.841 169.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -89.12 160.41 43.1 Favored Pre-proline 0 CA--C 1.538 0.505 0 C-N-CA 123.016 0.526 . . . . 0.0 110.24 -178.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -67.38 170.05 14.28 Favored 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 121.966 1.778 . . . . 0.0 110.432 168.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 57.13 -60.07 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.393 0 C-N-CA 129.916 3.287 . . . . 0.0 111.948 -167.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.8 ttm-85 -59.13 84.98 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 121.158 1.799 . . . . 0.0 111.785 -176.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -120.89 165.7 14.83 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.298 1.039 . . . . 0.0 109.321 -169.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.26 97.67 3.54 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.428 0.691 . . . . 0.0 109.523 -164.264 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.4 mt -83.51 96.6 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 172.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.9 tt -64.47 113.33 3.6 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 169.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.1 t -122.69 -169.66 1.95 Allowed 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 124.953 1.301 . . . . 0.0 108.534 171.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.2 m -121.07 156.38 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 165.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.151 ' SG ' 'ZN ' ' A' ' 57' ' ' ' ZN' . 30.6 t -66.72 125.29 25.36 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 170.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 37.3 t -48.89 -35.79 15.61 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.192 1.397 . . . . 0.0 112.78 -177.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -115.51 -11.3 11.8 Favored 'General case' 0 C--N 1.342 0.269 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -173.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.8 m -103.27 -15.1 16.08 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 119.6 1.091 . . . . 0.0 112.397 173.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.7 t0 49.47 29.01 2.67 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.481 1.912 . . . . 0.0 112.454 -168.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.57 143.46 16.73 Favored Glycine 0 C--N 1.34 0.785 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 -177.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -62.45 115.87 4.6 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 126.615 1.966 . . . . 0.0 109.259 -175.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.7 mt -118.65 119.12 60.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 172.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -84.1 85.78 7.3 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.991 0.916 . . . . 0.0 108.609 170.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.2 mt -68.85 97.48 0.84 Allowed 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 123.827 0.851 . . . . 0.0 108.891 -170.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.9 m -82.51 108.33 15.83 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 -177.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.5 m -125.1 120.43 58.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 N-CA-C 104.512 -2.403 . . . . 0.0 104.512 177.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -77.99 95.27 4.78 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 172.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -154.57 157.68 38.63 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 121.191 0.52 . . . . 0.0 110.732 169.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.9 m -54.51 148.63 11.83 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.482 1.513 . . . . 0.0 110.495 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.58 -43.74 76.27 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.676 -0.64 . . . . 0.0 112.245 -171.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -82.18 -20.56 37.58 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.628 -0.67 . . . . 0.0 112.695 -176.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -67.54 -46.33 73.09 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 168.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.48 -36.72 74.18 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.159 1.783 . . . . 0.0 111.705 172.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -73.24 -44.38 59.57 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 127.305 2.242 . . . . 0.0 109.525 -178.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.2 m -56.71 -46.31 81.32 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 172.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.81 -37.19 75.82 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.495 1.518 . . . . 0.0 112.412 171.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -64.03 -33.67 76.28 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 119.851 -1.78 . . . . 0.0 110.085 172.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -70.88 -30.14 66.43 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.413 -0.805 . . . . 0.0 110.245 172.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.3 mt -65.21 -32.82 74.69 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.095 0.861 . . . . 0.0 112.167 169.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -62.91 -48.51 78.66 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.444 1.02 . . . . 0.0 110.181 168.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.8 mt -64.18 -24.87 67.83 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.5 t -68.42 -83.56 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 127.578 2.351 . . . . 0.0 109.594 167.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.0 p -139.86 -15.03 1.04 Allowed 'General case' 0 C--N 1.344 0.348 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -177.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 tt -72.79 144.72 47.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 122.801 1.286 . . . . 0.0 112.81 -163.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.6 m -147.33 164.76 32.25 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 158.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -109.94 149.93 29.21 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -173.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . 0.301 2.2 t -138.84 103.49 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.093 0 C-N-CA 126.03 1.732 . . . . 0.0 107.375 -171.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.8 p -56.67 142.55 71.02 Favored Pre-proline 0 CA--C 1.534 0.358 0 C-N-CA 125.328 1.451 . . . . 0.0 109.808 -171.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -59.45 -28.1 86.67 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 121.595 1.53 . . . . 0.0 113.449 -168.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 37.7 t90 -56.59 -64.5 0.85 Allowed 'General case' 0 C--O 1.235 0.323 0 C-N-CA 124.874 1.269 . . . . 0.0 110.583 171.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 14.1 p -66.01 -30.68 71.27 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 118.24 0.473 . . . . 0.0 110.592 -178.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.37 -37.61 88.11 Favored 'General case' 0 N--CA 1.442 -0.851 0 O-C-N 123.139 0.274 . . . . 0.0 111.165 -177.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 31.3 m -75.83 -47.02 27.33 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.71 1.604 . . . . 0.0 110.397 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -68.5 -50.77 49.79 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.052 0.541 . . . . 0.0 111.165 -176.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.067 0 C-N-CA 127.918 2.487 . . . . 0.0 112.111 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.091 0 N-CA-C 107.203 -2.359 . . . . 0.0 107.203 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t 61.44 154.98 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.183 0.593 . . . . 0.0 109.923 -131.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 13.1 m80 50.67 22.18 1.05 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.637 1.575 . . . . 0.0 112.771 -176.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 16.5 ptm -83.03 62.4 6.54 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 125.383 1.473 . . . . 0.0 113.274 -158.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.75 45.03 0.06 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.016 1.726 . . . . 0.0 110.866 161.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -89.08 149.98 44.25 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 125.256 1.422 . . . . 0.0 110.237 -167.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -76.59 42.98 1.13 Allowed 'Trans proline' 0 CA--C 1.541 0.855 1 C-N-CA 125.31 4.007 . . . . 0.0 112.85 -171.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 15.5 mp0 -127.52 -52.43 1.37 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.958 1.703 . . . . 0.0 109.872 176.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.54 91.39 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.558 1.526 . . . . 0.0 110.539 -176.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 47.9 m170 -124.95 162.6 24.12 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.953 0.901 . . . . 0.0 109.543 -170.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.42 96.93 3.26 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -161.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 57.7 mt -83.16 95.32 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 105.665 -1.976 . . . . 0.0 105.665 170.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt -62.93 111.89 2.34 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 167.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 t -120.83 -172.22 2.34 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 124.981 1.313 . . . . 0.0 108.156 171.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 15.4 m -123.34 156.97 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 167.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 26.9 t -64.3 121.78 15.11 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 168.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 5.5 t -56.47 -19.15 13.92 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.507 1.123 . . . . 0.0 113.318 -171.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -125.83 -19.07 4.97 Favored 'General case' 0 C--N 1.342 0.27 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -171.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 14.5 p -114.99 0.38 13.66 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 120.224 1.375 . . . . 0.0 112.841 171.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 23.1 t0 56.61 21.48 5.81 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.589 1.956 . . . . 0.0 113.07 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.22 142.01 26.72 Favored Glycine 0 C--N 1.34 0.758 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -66.84 118.08 9.84 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 125.814 1.646 . . . . 0.0 109.294 -176.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 2.2 mt -125.17 112.76 32.66 Favored 'Isoleucine or valine' 0 C--N 1.341 0.203 0 CA-C-N 118.604 0.638 . . . . 0.0 109.498 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -83.52 83.96 7.7 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 171.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 46.6 mt -67.89 96.75 0.61 Allowed 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.05 0.94 . . . . 0.0 108.54 -170.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 33.5 m -87.01 100.1 12.37 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -175.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 m -106.73 117.14 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 103.085 -2.931 . . . . 0.0 103.085 176.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -84.59 96.77 9.28 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 104.715 -2.328 . . . . 0.0 104.715 175.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.6 t -157.31 156.55 32.59 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 123.199 0.6 . . . . 0.0 110.14 176.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.1 m -51.75 143.4 13.0 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 125.426 1.491 . . . . 0.0 110.093 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.36 -37.42 64.91 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -168.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -92.85 -15.43 26.47 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -175.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.93 -44.06 90.71 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 161.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.6 -40.51 95.08 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.959 1.304 . . . . 0.0 111.838 173.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -65.73 -45.3 83.15 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 126.668 1.987 . . . . 0.0 109.06 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 27.9 m -56.49 -46.56 80.42 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 173.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.29 -35.62 74.08 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.959 1.304 . . . . 0.0 112.586 172.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -66.72 -31.67 72.48 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 119.955 -1.716 . . . . 0.0 110.331 172.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -71.42 -30.14 65.72 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.098 -1.001 . . . . 0.0 109.846 171.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 81.6 mt -67.52 -30.61 70.32 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.726 0.694 . . . . 0.0 111.974 170.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -62.53 -50.89 69.57 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.459 1.027 . . . . 0.0 109.937 166.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 54.6 mt -62.76 -25.75 68.36 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 5.7 t -67.74 -83.56 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 127.284 2.234 . . . . 0.0 109.625 167.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 69.8 p -139.5 -15.81 1.06 Allowed 'General case' 0 C--N 1.345 0.389 0 N-CA-C 115.902 1.816 . . . . 0.0 115.902 -177.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 tt -69.92 143.14 52.81 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 122.86 1.314 . . . . 0.0 112.479 -164.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.0 m -147.6 168.43 22.03 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 125.289 1.436 . . . . 0.0 107.655 159.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -115.32 157.32 23.99 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 122.242 1.02 . . . . 0.0 108.672 -171.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -136.08 116.65 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.999 0 C-N-CA 126.098 1.759 . . . . 0.0 107.419 -179.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 14.0 p -60.01 155.73 41.85 Favored Pre-proline 0 CA--C 1.536 0.42 0 C-N-CA 123.497 0.719 . . . . 0.0 110.165 -175.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -59.06 -26.08 80.32 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 121.72 1.614 . . . . 0.0 113.153 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 81.9 t90 -61.84 -48.22 81.53 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 118.763 -0.637 . . . . 0.0 111.249 171.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 32.0 m -73.05 -29.49 63.02 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 118.833 0.742 . . . . 0.0 112.117 175.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.25 -32.57 73.28 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.342 0.974 . . . . 0.0 110.866 170.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 28.1 m -84.46 -43.03 15.0 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.64 1.176 . . . . 0.0 111.912 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -121.32 -16.65 7.85 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -165.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . 0.417 HE22 ' CD2' ' A' ' 3' ' ' HIS . 2.8 tt0 . . . . . 0 C--O 1.253 1.277 0 C-N-CA 126.865 2.066 . . . . 0.0 111.866 -158.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . 1.151 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.183 0 N-CA-C 109.89 -1.284 . . . . 0.0 109.89 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -54.12 137.69 39.69 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.569 1.148 . . . . 0.0 110.37 174.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 -156.16 148.78 23.82 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.685 1.194 . . . . 0.0 107.932 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 41.7 tpp -162.68 157.95 22.46 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 125.33 1.452 . . . . 0.0 107.29 169.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -153.94 162.39 41.25 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 158.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -155.42 165.74 17.7 Favored Pre-proline 0 N--CA 1.448 -0.543 0 C-N-CA 124.367 1.067 . . . . 0.0 108.441 -165.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -74.05 176.73 9.12 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 121.883 1.722 . . . . 0.0 109.178 170.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . 0.256 1.4 mp0 67.22 -74.95 0.06 Allowed 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 126.159 1.783 . . . . 0.0 109.919 -179.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.73 92.17 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.38 1.872 . . . . 0.0 111.518 177.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -127.37 150.59 49.54 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 121.326 -0.859 . . . . 0.0 109.731 -174.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -131.06 95.3 3.77 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 122.908 0.483 . . . . 0.0 111.318 -158.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.5 mt -86.39 99.0 7.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tt -66.34 112.93 4.26 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 120.185 -1.572 . . . . 0.0 108.835 173.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.5 t -131.63 -162.15 1.2 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.183 0.993 . . . . 0.0 110.656 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.0 m -125.8 155.01 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.537 1.135 . . . . 0.0 108.923 170.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.124 ' SG ' 'ZN ' ' A' ' 57' ' ' ' ZN' . 38.5 t -73.17 133.41 44.05 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 124.055 0.942 . . . . 0.0 108.826 170.391 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.3 t -51.01 -41.12 59.57 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.0 0.92 . . . . 0.0 112.272 171.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.09 -12.34 2.85 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -159.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.0 m -82.23 -16.71 48.64 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.94 158.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.2 t0 43.34 64.14 1.32 Allowed 'General case' 0 C--N 1.346 0.429 0 C-N-CA 126.35 1.86 . . . . 0.0 111.108 -169.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.84 156.59 26.77 Favored Glycine 0 C--N 1.337 0.584 0 N-CA-C 110.421 -1.072 . . . . 0.0 110.421 -175.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.0 133.6 52.05 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 125.551 1.54 . . . . 0.0 109.394 -178.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.3 mt -123.3 151.08 27.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 167.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -116.15 84.28 2.09 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 175.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.7 mt -70.59 90.68 0.76 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.212 -1.358 . . . . 0.0 109.491 -161.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.2 m -86.98 88.27 7.66 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 -175.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.5 m -92.69 174.19 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 169.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -134.04 94.56 3.27 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 103.942 -2.614 . . . . 0.0 103.942 -172.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.4 m -151.2 150.6 30.81 Favored 'General case' 0 C--O 1.22 -0.496 0 O-C-N 120.08 -1.637 . . . . 0.0 110.417 -158.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.0 m -70.6 156.26 39.66 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 121.726 2.057 . . . . 0.0 108.7 171.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.1 -45.38 87.3 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.615 1.098 . . . . 0.0 113.025 -171.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -76.75 -19.42 57.65 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 121.659 0.742 . . . . 0.0 111.776 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -81.91 -38.36 25.43 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.457 1.503 . . . . 0.0 108.966 178.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 tt -57.99 -44.41 87.17 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 126.068 1.747 . . . . 0.0 109.775 164.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -64.31 -43.43 94.71 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 123.852 0.861 . . . . 0.0 109.933 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 85.3 m -56.7 -50.11 73.13 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 175.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.34 -23.69 64.73 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.295 -0.878 . . . . 0.0 112.516 176.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -67.7 -32.35 72.94 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 120.461 -1.399 . . . . 0.0 109.912 168.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -69.81 -35.42 74.81 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.066 -1.021 . . . . 0.0 109.781 171.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.9 mt -62.49 -29.38 70.5 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 118.762 0.71 . . . . 0.0 112.105 169.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.59 -50.13 68.41 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.033 1.733 . . . . 0.0 110.123 171.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 70.5 mt -66.71 -25.74 66.67 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.157 0.983 . . . . 0.0 112.43 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.9 t -66.81 -82.36 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 127.037 2.135 . . . . 0.0 109.557 170.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.9 p -138.93 -15.59 1.14 Allowed 'General case' 0 C--N 1.344 0.334 0 N-CA-C 116.137 1.903 . . . . 0.0 116.137 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.9 tt -72.28 109.06 5.76 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -166.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 p -96.7 176.44 6.0 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.249 1.02 . . . . 0.0 108.597 159.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -127.96 142.54 51.22 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.229 1.011 . . . . 0.0 110.733 -173.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.8 t -141.63 83.98 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.933 0 C-N-CA 126.493 1.917 . . . . 0.0 106.776 -163.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.0 p -55.37 159.21 4.71 Favored Pre-proline 0 N--CA 1.474 0.751 0 C-N-CA 127.047 2.139 . . . . 0.0 112.22 -176.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 14.4 Cg_endo -58.5 -25.77 75.5 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 122.379 2.053 . . . . 0.0 115.107 -170.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -58.47 -63.68 1.19 Allowed 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.325 1.05 . . . . 0.0 110.302 172.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.444 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 5.6 p -69.54 -24.13 63.68 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 119.161 0.891 . . . . 0.0 112.268 174.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.35 -39.18 78.83 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 118.192 -1.403 . . . . 0.0 109.612 176.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.7 m -74.62 -61.86 1.73 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 127.094 2.158 . . . . 0.0 111.357 173.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -78.37 -32.42 48.94 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.948 1.299 . . . . 0.0 113.341 -167.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--O 1.252 1.224 0 C-N-CA 129.613 3.165 . . . . 0.0 110.858 -159.28 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.964 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t 67.16 173.3 0.26 Allowed 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.958 1.703 . . . . 0.0 113.218 -178.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . 0.527 ' CG ' ' H ' ' B' ' 4' ' ' MET . 34.1 t-80 -135.89 -165.82 1.77 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 128.19 2.596 . . . . 0.0 104.169 158.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' MET . . . . . 0.527 ' H ' ' CG ' ' B' ' 3' ' ' HIS . 1.0 OUTLIER 49.57 102.34 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 129.053 2.941 . . . . 0.0 116.379 159.187 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.37 56.93 0.24 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.702 1.601 . . . . 0.0 112.229 173.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -77.94 156.9 79.54 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 124.438 1.095 . . . . 0.0 111.217 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.08 57.26 5.16 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 124.774 3.649 . . . . 0.0 112.434 -173.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 17.5 mp0 -127.78 -57.52 1.26 Allowed 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 126.126 1.771 . . . . 0.0 109.02 172.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.36 88.37 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 126.051 1.74 . . . . 0.0 112.101 179.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 58.6 m170 -124.62 161.26 26.63 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 125.136 1.374 . . . . 0.0 110.189 -167.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -136.79 90.18 2.52 Favored 'General case' 0 C--N 1.337 0.062 0 C-N-CA 124.134 0.974 . . . . 0.0 108.976 -160.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 18.9 mt -84.8 101.83 9.87 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.22 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 175.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 tt -65.69 116.35 6.82 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 120.597 -1.315 . . . . 0.0 108.355 171.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 3.7 t -131.25 -166.75 1.75 Allowed 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 126.734 2.014 . . . . 0.0 108.043 176.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 19.7 m -126.51 157.91 36.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-O 121.464 0.65 . . . . 0.0 110.093 169.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 47.7 t -66.62 102.63 0.94 Allowed 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 161.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 15.0 t -50.19 -34.07 21.38 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.636 1.174 . . . . 0.0 112.934 -171.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -87.54 -16.96 33.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 125.248 1.419 . . . . 0.0 113.616 -174.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.4 p -129.21 -0.55 5.14 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 21.8 t0 55.27 19.02 2.74 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 128.257 2.623 . . . . 0.0 113.576 -174.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.0 142.3 26.25 Favored Glycine 0 C--N 1.34 0.777 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 -177.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -64.36 122.27 16.29 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 125.798 1.639 . . . . 0.0 108.934 -176.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 5.8 mt -127.29 120.27 54.61 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 171.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -81.32 87.4 6.15 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 107.559 -1.275 . . . . 0.0 107.559 166.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 56.4 mt -65.33 97.31 0.27 Allowed 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 -172.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 81.7 m -92.75 92.31 7.9 Favored 'General case' 0 N--CA 1.435 -1.21 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 -171.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 11.4 m -115.52 139.11 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 -175.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -112.33 79.89 1.27 Allowed 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 105.899 -1.889 . . . . 0.0 105.899 -159.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -150.71 154.59 37.69 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.229 0.538 . . . . 0.0 111.176 -174.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.9 m -50.2 141.4 11.43 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 126.316 1.846 . . . . 0.0 109.665 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.54 -37.57 65.56 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -166.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -84.3 -25.53 29.22 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.619 0.645 . . . . 0.0 112.725 -176.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -67.41 -45.5 75.97 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.587 1.155 . . . . 0.0 108.249 169.566 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.5 -44.22 93.15 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 125.131 1.372 . . . . 0.0 111.321 172.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -60.7 -46.11 91.65 Favored 'General case' 0 CA--C 1.51 -0.559 0 C-N-CA 127.006 2.122 . . . . 0.0 108.983 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 33.8 m -56.75 -50.47 72.17 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 175.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.7 -40.84 63.34 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.657 1.183 . . . . 0.0 111.457 170.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -68.89 -30.55 69.07 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 120.453 -1.404 . . . . 0.0 110.589 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -67.85 -36.61 80.62 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 119.08 0.855 . . . . 0.0 109.511 172.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 17.6 mt -57.1 -45.6 83.25 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-O 118.843 -0.599 . . . . 0.0 109.953 169.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -63.03 -42.65 99.83 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.02 0.827 . . . . 0.0 111.314 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 41.7 mt -64.6 -27.43 68.94 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.657 0.783 . . . . 0.0 111.866 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 7.3 t -83.08 -65.34 1.02 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.902 1.681 . . . . 0.0 112.298 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -143.93 -16.03 0.61 Allowed 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 -158.003 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mp -104.19 152.8 21.72 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -163.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -141.4 178.17 7.61 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.544 2.338 . . . . 0.0 109.657 174.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -133.68 164.54 26.97 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 124.337 1.055 . . . . 0.0 108.756 178.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -133.93 118.38 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.123 0 C-N-CA 125.89 1.676 . . . . 0.0 109.061 -174.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 23.7 p -65.22 150.01 96.17 Favored Pre-proline 0 CA--C 1.538 0.482 0 O-C-N 121.494 -0.754 . . . . 0.0 109.686 178.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.16 -29.31 45.43 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.397 2.065 . . . . 0.0 114.62 -178.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 19.9 t90 -58.52 -69.65 0.18 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.144 1.378 . . . . 0.0 110.013 172.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 69.6 m -66.59 -26.91 67.33 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.506 0.722 . . . . 0.0 112.879 -175.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.48 -53.98 51.9 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 124.312 1.045 . . . . 0.0 110.502 171.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 28.9 m -69.73 -47.52 62.78 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.737 1.215 . . . . 0.0 110.485 -177.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -75.03 -29.73 60.88 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 118.15 -0.929 . . . . 0.0 111.867 -172.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.251 1.137 0 CA-C-O 115.298 -2.286 . . . . 0.0 109.801 -159.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . 1.124 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.042 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m -113.83 -3.24 13.48 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -163.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -75.74 -8.66 57.38 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 119.006 0.821 . . . . 0.0 112.214 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 15.3 tpt -141.9 150.89 42.1 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 173.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.91 149.26 30.94 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 164.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -140.12 150.46 61.91 Favored Pre-proline 0 CA--C 1.538 0.498 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -77.56 59.71 6.85 Favored 'Trans proline' 0 CA--C 1.537 0.666 0 C-N-CA 124.202 3.268 . . . . 0.0 111.572 -171.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -129.35 -55.39 1.17 Allowed 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.652 1.581 . . . . 0.0 109.31 178.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.486 ' HE ' ' CG2' ' A' ' 26' ' ' THR . 0.1 OUTLIER -57.35 100.81 0.05 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.714 1.143 . . . . 0.0 108.981 177.745 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -133.44 147.24 51.69 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.849 0.86 . . . . 0.0 110.395 -170.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -129.87 95.95 4.09 Favored 'General case' 0 CA--C 1.509 -0.628 0 C-N-CA 123.582 0.753 . . . . 0.0 111.129 -158.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.0 mt -87.08 94.59 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 N-CA-C 105.482 -2.044 . . . . 0.0 105.482 167.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.0 tt -63.66 104.61 0.68 Allowed 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 162.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -116.2 -170.06 1.73 Allowed 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.25 1.02 . . . . 0.0 109.27 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.3 m -124.2 155.07 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 124.077 0.951 . . . . 0.0 109.453 175.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.418 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 16.7 t -75.33 136.12 40.84 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.934 -174.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.7 t -50.75 -48.99 58.99 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 124.889 1.276 . . . . 0.0 111.688 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -101.77 -17.24 16.33 Favored 'General case' 0 C--N 1.341 0.207 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -164.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.6 p -133.08 2.26 3.6 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -174.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.4 t0 55.27 16.07 1.55 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.615 1.966 . . . . 0.0 113.734 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.64 148.33 38.37 Favored Glycine 0 C--N 1.339 0.706 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 -176.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -61.75 125.99 25.76 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 177.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.6 mt -125.1 111.58 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 171.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.41 102.77 2.72 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 163.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.2 mt -84.09 82.75 8.22 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 176.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.486 ' CG2' ' HE ' ' A' ' 9' ' ' ARG . 96.7 m -69.57 93.42 0.69 Allowed 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 159.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 m -88.58 162.6 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 N-CA-C 103.695 -2.706 . . . . 0.0 103.695 158.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -127.08 101.06 6.37 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 119.938 -1.727 . . . . 0.0 106.647 176.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -167.57 162.7 14.42 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 122.909 0.483 . . . . 0.0 110.492 169.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.4 m -49.41 145.97 4.29 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.627 1.571 . . . . 0.0 110.894 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.29 -37.26 67.1 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -166.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -79.53 -25.67 41.65 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.914 0.886 . . . . 0.0 113.103 -178.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -68.6 -45.98 70.52 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 171.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tt -57.41 -44.59 84.7 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 124.439 1.096 . . . . 0.0 111.032 171.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -62.33 -42.72 99.61 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 125.421 1.488 . . . . 0.0 109.377 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.4 m -59.48 -47.47 85.37 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 174.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.31 -40.0 64.45 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.497 1.119 . . . . 0.0 111.442 169.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -70.11 -30.15 67.27 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 120.609 -1.307 . . . . 0.0 110.158 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -70.28 -35.32 73.66 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 119.152 0.887 . . . . 0.0 109.681 172.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.9 mt -64.44 -30.79 71.82 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 118.396 0.543 . . . . 0.0 111.304 169.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.3 -47.18 74.41 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.079 1.352 . . . . 0.0 110.59 172.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.3 mt -68.0 -26.96 66.16 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.39 1.076 . . . . 0.0 112.185 176.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.9 t -65.62 -77.9 0.06 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 127.562 2.345 . . . . 0.0 109.87 171.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.2 p -139.49 -25.37 0.84 Allowed 'General case' 0 C--N 1.343 0.297 0 N-CA-C 115.413 1.634 . . . . 0.0 115.413 176.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 tt -63.92 114.17 3.92 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 120.839 0.352 . . . . 0.0 111.811 -163.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.0 m -101.24 167.86 9.93 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 160.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -124.08 149.6 45.97 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 -178.157 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . 0.277 2.1 t -139.48 108.41 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 C-N-CA 124.827 1.251 . . . . 0.0 109.005 -169.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 p -61.17 146.35 88.51 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 125.751 1.62 . . . . 0.0 110.092 -172.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -59.59 -26.95 83.72 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.21 1.94 . . . . 0.0 113.846 -170.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -56.79 -66.02 0.52 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.986 1.314 . . . . 0.0 110.37 170.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.418 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 3.0 p -71.82 -16.77 62.17 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 118.17 0.441 . . . . 0.0 112.02 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.77 -42.79 76.94 Favored 'General case' 0 N--CA 1.436 -1.127 0 C-N-CA 119.743 -0.783 . . . . 0.0 109.074 173.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.2 m -70.89 -46.53 62.42 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.694 1.597 . . . . 0.0 110.775 177.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -79.02 -21.63 46.66 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.127 0.571 . . . . 0.0 112.52 -175.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 . . . . . 0 C--O 1.248 0.994 0 C-N-CA 125.863 1.665 . . . . 0.0 109.044 -160.342 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.177 0 N-CA-C 109.129 -1.588 . . . . 0.0 109.129 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -59.75 -24.91 64.44 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.042 0.921 . . . . 0.0 112.328 173.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 20.7 m170 -122.63 159.05 28.66 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 106.585 -1.635 . . . . 0.0 106.585 159.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 10.3 tpt -154.41 161.48 41.69 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 174.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . 149.21 133.97 0.0 OUTLIER 'General case' 0 C--O 1.232 0.177 1 C-N-CA 133.056 4.542 . . . . 0.0 105.766 179.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.54 151.28 15.4 Favored Pre-proline 0 N--CA 1.448 -0.543 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -158.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -83.79 35.63 0.56 Allowed 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 124.426 3.417 . . . . 0.0 112.225 -170.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 16.4 mp0 -129.33 -53.48 1.18 Allowed 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 125.117 1.367 . . . . 0.0 110.083 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.28 95.55 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.142 1.377 . . . . 0.0 110.714 -175.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 42.4 m170 -128.57 163.46 24.96 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.8 0.84 . . . . 0.0 109.42 -168.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.59 94.63 2.94 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 123.985 0.914 . . . . 0.0 109.061 -165.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 33.0 mt -83.05 95.21 3.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.283 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 172.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 tt -63.1 109.1 1.4 Allowed 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 166.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 3.4 t -120.75 -172.88 2.47 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.023 0.929 . . . . 0.0 108.609 169.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.0 m -119.14 152.96 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 171.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . 0.418 ' SG ' ' HA ' ' B' ' 48' ' ' VAL . 11.9 t -69.05 132.59 46.87 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.057 -178.352 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 29.0 t -55.57 -40.48 72.01 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.373 1.069 . . . . 0.0 112.138 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.48 -11.7 15.44 Favored 'General case' 0 C--N 1.345 0.405 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -169.412 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 31.1 p -135.46 3.81 3.09 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 20.2 t0 57.06 16.82 3.08 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.31 1.844 . . . . 0.0 113.907 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.16 147.54 39.57 Favored Glycine 0 C--N 1.34 0.764 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 -177.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -66.69 114.83 5.9 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 125.387 1.475 . . . . 0.0 109.202 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 16.8 mt -120.89 109.64 25.91 Favored 'Isoleucine or valine' 0 C--N 1.34 0.171 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 176.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -78.65 82.41 4.89 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 124.231 1.013 . . . . 0.0 108.71 168.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 24.4 mt -64.45 96.49 0.17 Allowed 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.735 1.214 . . . . 0.0 108.13 -172.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 24.5 m -85.57 95.87 9.46 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 -177.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 m -114.57 124.96 71.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 103.146 -2.909 . . . . 0.0 103.146 -178.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -103.87 91.0 3.8 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 104.808 -2.293 . . . . 0.0 104.808 -169.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.7 t -153.18 156.37 38.44 Favored 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 124.322 1.049 . . . . 0.0 110.248 -176.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.9 m -51.87 141.56 17.19 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.953 1.301 . . . . 0.0 109.916 176.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.12 -34.49 63.77 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -165.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -97.16 -16.56 20.38 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -174.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -62.52 -45.21 94.04 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 159.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.0 -42.15 98.84 Favored 'General case' 0 C--O 1.222 -0.358 0 C-N-CA 125.156 1.382 . . . . 0.0 111.915 174.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -63.95 -45.46 89.05 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 126.47 1.908 . . . . 0.0 109.222 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 30.3 m -56.14 -48.63 75.89 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 174.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.45 -38.49 69.11 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.753 1.221 . . . . 0.0 111.953 171.132 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -68.09 -30.12 69.23 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 120.224 -1.548 . . . . 0.0 110.312 176.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -70.56 -33.95 71.68 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 118.941 0.791 . . . . 0.0 109.837 172.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 40.7 mt -61.26 -39.53 90.72 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 118.478 0.581 . . . . 0.0 110.693 170.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . 0.423 ' CE1' ' HA ' ' B' ' 46' ' ' SER . 3.0 m-85 -61.09 -51.75 67.8 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.472 0.709 . . . . 0.0 110.142 172.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 37.4 mt -62.17 -30.45 71.07 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.934 0.894 . . . . 0.0 111.976 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 13.8 t -67.02 -66.88 0.5 Allowed 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 125.513 1.525 . . . . 0.0 110.536 170.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -152.15 -38.93 0.11 Allowed 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -158.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.8 tt -71.93 152.77 42.28 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 122.5 1.143 . . . . 0.0 112.511 -163.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' SER . . . . . 0.423 ' HA ' ' CE1' ' B' ' 41' ' ' PHE . 57.9 m -145.2 -179.19 6.47 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.029 -1.044 . . . . 0.0 109.368 164.101 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -127.13 156.72 41.32 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.391 1.076 . . . . 0.0 108.242 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . 0.418 ' HA ' ' SG ' ' B' ' 16' ' ' CYS 0.325 0.5 OUTLIER -141.11 109.29 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -179.666 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 3.1 p -60.18 144.1 87.76 Favored Pre-proline 0 CA--C 1.535 0.37 0 C-N-CA 125.627 1.571 . . . . 0.0 110.532 -169.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.51 -28.53 86.84 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 121.688 1.592 . . . . 0.0 113.933 -167.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -57.04 -64.23 0.95 Allowed 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 172.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 1.3 p -65.97 -27.5 68.2 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 122.929 0.492 . . . . 0.0 110.971 -175.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.51 -18.24 55.05 Favored 'General case' 0 N--CA 1.442 -0.834 0 O-C-N 124.394 1.059 . . . . 0.0 111.827 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 27.7 m -90.48 -38.58 13.14 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.059 1.344 . . . . 0.0 110.783 169.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -62.59 -36.9 84.19 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.018 0.826 . . . . 0.0 110.488 172.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.256 1.406 0 C-N-CA 128.75 2.82 . . . . 0.0 115.963 158.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.057 0 N-CA-C 109.932 -1.267 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 m -60.08 149.92 31.02 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 117.746 0.773 . . . . 0.0 109.868 168.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -151.7 -70.43 0.16 Allowed 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.711 0.804 . . . . 0.0 109.119 174.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 20.2 ttt -139.73 92.77 2.59 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 -174.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.0 100.37 5.61 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.704 1.202 . . . . 0.0 109.825 -173.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -131.51 150.93 77.76 Favored Pre-proline 0 CA--C 1.539 0.531 0 C-N-CA 124.256 1.023 . . . . 0.0 109.302 -178.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -76.89 61.72 7.16 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 124.532 3.488 . . . . 0.0 111.567 -174.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.3 mp0 -126.82 -60.46 1.23 Allowed 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.412 1.485 . . . . 0.0 109.213 177.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.54 94.9 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.578 1.151 . . . . 0.0 110.602 -176.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 45.4 m170 -127.1 167.64 15.71 Favored 'General case' 0 C--N 1.34 0.159 0 CA-C-N 118.429 0.559 . . . . 0.0 110.567 -170.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -142.85 97.52 3.12 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 124.805 1.242 . . . . 0.0 109.189 -161.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.9 mt -85.5 94.25 3.97 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.319 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 168.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 tt -66.62 111.82 3.84 Favored 'General case' 0 N--CA 1.446 -0.643 0 O-C-N 120.438 -1.414 . . . . 0.0 108.69 169.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 t -120.11 -173.24 2.51 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 123.81 0.844 . . . . 0.0 109.124 167.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.8 m -121.24 153.45 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 167.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 14.0 t -69.0 131.0 44.37 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.002 -175.253 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.3 t -57.67 -36.14 71.51 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.082 0.553 . . . . 0.0 111.96 -173.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -111.12 -11.15 14.29 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -166.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 30.5 p -139.45 4.11 2.16 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.3 t0 57.74 17.4 4.11 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.941 2.097 . . . . 0.0 114.302 175.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.64 148.02 39.55 Favored Glycine 0 C--N 1.339 0.749 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -66.39 113.6 4.78 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 124.785 1.234 . . . . 0.0 108.98 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.3 mt -116.7 105.66 18.72 Favored 'Isoleucine or valine' 0 C--N 1.341 0.232 0 CA-C-O 121.914 0.864 . . . . 0.0 109.209 177.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -80.01 84.75 5.7 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.341 1.056 . . . . 0.0 108.803 169.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.8 mt -68.86 93.5 0.55 Allowed 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.572 0.749 . . . . 0.0 109.116 -171.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.4 m -87.7 98.84 11.67 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 -173.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.3 m -121.04 117.37 52.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 N-CA-C 104.205 -2.517 . . . . 0.0 104.205 -178.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -79.14 105.87 10.77 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 174.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.69 155.76 26.61 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 118.213 0.46 . . . . 0.0 111.449 168.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.2 m -51.86 141.55 17.19 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.929 1.292 . . . . 0.0 109.903 176.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.53 -35.47 63.24 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -166.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -85.13 -25.52 27.44 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -67.18 -44.21 80.23 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 169.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.8 tt -57.6 -48.97 77.94 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 124.681 1.193 . . . . 0.0 110.677 170.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -56.67 -47.35 80.0 Favored 'General case' 0 CA--C 1.51 -0.568 0 C-N-CA 125.417 1.487 . . . . 0.0 109.191 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.7 m -57.01 -48.28 78.85 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 124.177 0.923 . . . . 0.0 109.248 177.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.62 -36.04 73.42 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.969 -0.457 . . . . 0.0 110.986 172.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -71.63 -24.93 61.96 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.82 -1.175 . . . . 0.0 111.12 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -71.88 -37.85 70.09 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 119.066 0.848 . . . . 0.0 109.45 170.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.7 mt -60.59 -35.1 75.27 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.669 0.668 . . . . 0.0 110.607 169.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.67 -48.44 77.19 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 125.13 1.372 . . . . 0.0 110.415 174.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.4 mt -63.47 -33.16 74.97 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.735 0.814 . . . . 0.0 112.063 176.093 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.1 t -74.78 -62.21 1.61 Allowed 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 125.881 1.672 . . . . 0.0 112.106 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.18 -35.11 0.44 Allowed 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -158.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.5 tt -89.36 143.56 26.73 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.638 0.775 . . . . 0.0 112.222 -161.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 p -127.97 -179.6 5.06 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 128.578 2.751 . . . . 0.0 108.38 168.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.48 155.27 47.66 Favored 'General case' 0 C--O 1.237 0.417 0 O-C-N 120.881 -1.137 . . . . 0.0 111.751 -177.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.9 t -145.66 98.73 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 C-N-CA 126.814 2.045 . . . . 0.0 107.493 -162.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.5 p -58.92 153.79 41.83 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 125.776 1.631 . . . . 0.0 110.486 -175.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -60.81 -25.24 80.8 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 122.155 1.903 . . . . 0.0 113.812 -174.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 14.4 t90 -56.59 -68.23 0.23 Allowed 'General case' 0 C--N 1.341 0.237 0 C-N-CA 125.076 1.35 . . . . 0.0 109.805 172.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 29.2 p -66.63 -27.19 67.49 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 118.41 0.55 . . . . 0.0 111.555 179.098 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.4 -38.19 86.18 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 118.77 -1.172 . . . . 0.0 110.255 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.9 m -75.35 -48.78 21.48 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.361 1.865 . . . . 0.0 111.329 175.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -80.9 -9.72 59.8 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.157 0.983 . . . . 0.0 113.006 -170.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.253 1.249 0 C-N-CA 127.947 2.499 . . . . 0.0 110.794 -171.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.119 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 91.9 p -140.89 -176.87 4.83 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.73 1.612 . . . . 0.0 107.217 169.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 65.6 m80 62.92 -17.23 0.05 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 127.117 2.167 . . . . 0.0 115.939 175.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 16.9 ttt -71.68 63.87 0.44 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.433 2.293 . . . . 0.0 111.992 -176.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -119.65 70.08 0.85 Allowed 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 128.073 2.549 . . . . 0.0 107.1 171.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -126.96 152.42 75.48 Favored Pre-proline 0 CA--C 1.538 0.515 0 C-N-CA 124.659 1.183 . . . . 0.0 109.295 -162.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -77.32 58.02 6.11 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 124.487 3.458 . . . . 0.0 111.919 -172.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -127.38 -58.95 1.25 Allowed 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.465 1.506 . . . . 0.0 109.593 176.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.17 95.99 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.198 1.399 . . . . 0.0 110.294 177.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 56.9 m170 -131.35 144.4 51.21 Favored 'General case' 0 C--O 1.227 -0.107 0 C-N-CA 124.495 1.118 . . . . 0.0 109.398 -165.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -124.02 88.49 2.92 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 124.668 1.187 . . . . 0.0 109.76 -158.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 14.5 mt -84.35 102.27 10.06 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.207 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt -68.39 115.07 7.4 Favored 'General case' 0 N--CA 1.446 -0.653 0 O-C-N 120.942 -1.099 . . . . 0.0 108.817 175.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 14.5 t -125.73 -172.79 2.68 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.568 1.947 . . . . 0.0 108.555 178.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 20.6 m -109.65 162.22 7.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 158.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . 1.146 ' SG ' 'ZN ' ' B' ' 57' ' ' ' ZN' . 38.4 t -64.28 131.85 48.53 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 161.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 35.9 t -51.31 -38.11 51.21 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.552 1.541 . . . . 0.0 111.828 178.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.18 -17.67 4.72 Favored 'General case' 0 C--N 1.343 0.314 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -171.007 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.1 m -83.76 -13.94 52.7 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.51 1.05 . . . . 0.0 110.95 167.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 25.9 t0 47.52 36.75 5.53 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.19 1.796 . . . . 0.0 111.994 -176.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -116.86 150.45 18.54 Favored Glycine 0 C--N 1.339 0.72 0 N-CA-C 108.804 -1.718 . . . . 0.0 108.804 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.36 132.16 47.72 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.78 0.832 . . . . 0.0 108.895 -172.527 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 44.2 mt -125.95 128.46 71.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 170.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -78.19 97.2 5.42 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 162.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.8 mt -73.03 90.99 1.54 Allowed 'General case' 0 C--O 1.234 0.263 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -178.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 22.0 m -79.63 97.16 6.41 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 172.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 1.3 m -93.79 176.69 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 N-CA-C 104.725 -2.324 . . . . 0.0 104.725 164.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -135.74 88.31 2.39 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 6.1 t -159.11 155.47 27.35 Favored 'General case' 0 C--N 1.343 0.298 0 O-C-N 121.135 -0.978 . . . . 0.0 111.48 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 18.3 m -53.33 144.48 16.26 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 125.127 1.371 . . . . 0.0 110.128 177.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.11 -33.37 57.54 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -163.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -99.21 -19.26 17.22 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -173.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -64.41 -42.97 95.79 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 159.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tt -61.89 -43.81 98.09 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 123.574 0.749 . . . . 0.0 111.55 174.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -56.9 -45.9 82.32 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 126.429 1.892 . . . . 0.0 109.015 175.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 22.2 m -58.3 -47.11 84.72 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 122.964 0.506 . . . . 0.0 109.652 174.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.31 -38.6 68.89 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.24 1.016 . . . . 0.0 111.516 170.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -70.16 -28.58 65.45 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 120.279 -1.513 . . . . 0.0 110.807 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -70.45 -34.41 72.41 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.179 -0.95 . . . . 0.0 109.58 171.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 67.6 mt -65.13 -30.13 71.03 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 118.84 -0.6 . . . . 0.0 111.354 169.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -64.26 -45.56 87.58 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.525 1.057 . . . . 0.0 110.622 169.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 64.7 mt -63.46 -25.81 68.44 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 175.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 6.4 t -69.56 -81.26 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.19 1.796 . . . . 0.0 109.937 168.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 35.5 p -144.69 -23.54 0.52 Allowed 'General case' 0 C--O 1.236 0.353 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 30.3 tp -54.86 113.73 1.45 Allowed 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 124.724 1.21 . . . . 0.0 110.449 -167.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 20.1 m -125.77 158.13 35.7 Favored 'General case' 0 N--CA 1.439 -0.991 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -116.32 145.22 43.35 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -172.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -131.48 118.3 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.204 0 C-N-CA 125.888 1.675 . . . . 0.0 108.521 175.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 p -63.43 158.68 56.25 Favored Pre-proline 0 CA--C 1.54 0.564 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.117 -177.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.79 -27.4 26.88 Favored 'Trans proline' 0 CA--C 1.545 1.048 0 C-N-CA 121.303 1.335 . . . . 0.0 115.49 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 15.7 t90 -61.51 -65.82 0.63 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.173 0.989 . . . . 0.0 110.874 175.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.428 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 0.8 OUTLIER -59.83 -35.0 73.82 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 118.658 0.663 . . . . 0.0 111.08 177.035 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.43 -39.01 78.66 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 119.328 -0.368 . . . . 0.0 111.43 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 25.6 m -80.95 -50.07 10.19 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.983 1.313 . . . . 0.0 111.098 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.43 -44.95 49.53 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.739 0.816 . . . . 0.0 111.97 -172.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 . . . . . 0 C--O 1.251 1.16 0 C-N-CA 126.454 1.902 . . . . 0.0 110.494 -159.752 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ' ZN' . . . . . 1.146 'ZN ' ' SG ' ' B' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.155 0 N-CA-C 108.908 -1.677 . . . . 0.0 108.908 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.4 m 56.06 -169.63 0.09 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.858 0.863 . . . . 0.0 111.328 -168.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -149.4 163.39 37.89 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.89 1.276 . . . . 0.0 108.056 176.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 44.0 ttp 34.94 57.73 0.75 Allowed 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 127.42 2.288 . . . . 0.0 111.671 -173.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.34 93.77 3.12 Favored 'General case' 0 N--CA 1.44 -0.964 0 C-N-CA 126.19 1.796 . . . . 0.0 107.121 -175.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -116.05 155.94 47.41 Favored Pre-proline 0 N--CA 1.451 -0.417 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -174.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -70.61 167.29 25.98 Favored 'Trans proline' 0 N--CA 1.448 -1.162 0 N-CA-C 107.09 -1.927 . . . . 0.0 107.09 158.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . 0.296 2.0 mp0 67.37 -73.68 0.08 Allowed 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 116.464 -1.731 . . . . 0.0 110.815 176.363 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.2 83.65 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 127.48 2.312 . . . . 0.0 112.507 179.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.9 m170 -121.62 161.0 23.22 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 123.981 0.913 . . . . 0.0 109.395 -173.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.01 94.31 2.8 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.505 0.722 . . . . 0.0 109.38 -163.109 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.7 mt -83.82 102.28 9.58 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.258 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 175.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 tt -66.68 108.92 2.64 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 120.954 -1.091 . . . . 0.0 108.934 170.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.2 t -117.37 -175.84 2.89 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 127.675 2.39 . . . . 0.0 107.4 176.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.4 m -109.7 159.55 9.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 158.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.127 ' SG ' 'ZN ' ' A' ' 57' ' ' ' ZN' . 10.7 t -66.88 138.33 57.22 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 164.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.1 t -49.32 -45.71 45.77 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.384 0.674 . . . . 0.0 112.321 173.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.28 -18.33 8.64 Favored 'General case' 0 C--O 1.226 -0.139 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -161.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 m -81.8 -18.87 42.53 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 118.44 -0.791 . . . . 0.0 111.173 163.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.3 t0 40.99 52.48 3.32 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 126.029 1.732 . . . . 0.0 110.869 -166.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.71 151.4 20.37 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 125.01 1.29 . . . . 0.0 110.308 -172.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -59.56 119.45 7.56 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 127.234 2.214 . . . . 0.0 109.329 -171.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 32.1 mt -123.34 119.63 58.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 167.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -77.56 88.47 3.88 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.064 1.346 . . . . 0.0 108.49 167.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.9 mt -67.58 97.13 0.58 Allowed 'General case' 0 C--O 1.235 0.319 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -173.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.5 m -85.47 94.2 8.94 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 -176.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 m -114.81 141.74 30.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 105.212 -2.144 . . . . 0.0 105.212 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -109.79 88.7 2.81 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 103.314 -2.847 . . . . 0.0 103.314 -166.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.2 m -146.4 153.8 40.89 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.359 -158.294 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.0 m -68.16 159.29 31.34 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 120.459 1.482 . . . . 0.0 109.209 176.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.19 -47.94 83.85 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.705 1.139 . . . . 0.0 112.046 -175.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -78.73 -24.48 44.83 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.064 0.459 . . . . 0.0 111.727 -176.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -70.84 -40.86 72.14 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.105 0.962 . . . . 0.0 109.446 171.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 tt -60.45 -43.48 96.83 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 124.972 1.309 . . . . 0.0 109.888 171.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -58.46 -53.54 57.19 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 175.433 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.0 m -53.55 -53.25 54.28 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 125.526 1.531 . . . . 0.0 110.258 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.97 -30.59 71.59 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.738 -0.601 . . . . 0.0 110.766 179.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -70.58 -27.27 63.98 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 120.88 -1.137 . . . . 0.0 110.882 172.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -67.36 -35.65 79.79 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 120.305 1.411 . . . . 0.0 110.119 169.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.1 mt -58.09 -47.66 82.53 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 118.832 0.742 . . . . 0.0 110.053 168.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -57.19 -45.77 83.46 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.093 0.406 . . . . 0.0 111.265 173.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.74 -32.83 69.6 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.976 1.31 . . . . 0.0 111.911 175.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.9 t -72.25 -65.88 0.72 Allowed 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.32 1.048 . . . . 0.0 109.898 176.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.3 p -147.74 -24.82 0.37 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 -175.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.84 153.94 40.83 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -160.529 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 p -140.29 175.18 9.8 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 125.599 1.56 . . . . 0.0 109.552 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -128.62 153.44 47.26 Favored 'General case' 0 C--O 1.238 0.46 0 O-C-N 121.331 -0.856 . . . . 0.0 109.033 175.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.1 t -141.8 99.16 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.197 0 N-CA-C 106.129 -1.804 . . . . 0.0 106.129 -169.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 p -58.08 150.63 50.14 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-O 118.628 -0.701 . . . . 0.0 110.926 -173.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.21 -27.09 79.25 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 121.799 1.666 . . . . 0.0 113.073 -178.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 29.4 t90 -56.64 -63.07 1.32 Allowed 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.489 1.516 . . . . 0.0 110.875 171.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.8 p -70.63 -24.41 62.71 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 119.021 0.828 . . . . 0.0 112.326 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.04 -35.38 80.98 Favored 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 119.182 -1.007 . . . . 0.0 110.04 178.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.7 m -79.19 -51.44 9.49 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.65 1.58 . . . . 0.0 110.988 177.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -91.48 -27.53 18.2 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.04 0.755 . . . . 0.0 113.04 -166.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 . . . . . 0 C--O 1.253 1.279 0 C-N-CA 128.34 2.656 . . . . 0.0 112.827 -173.341 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.223 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 11.0 m 66.66 -55.94 0.41 Allowed 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 127.303 2.241 . . . . 0.0 114.02 177.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 60.22 -172.82 0.12 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.926 1.69 . . . . 0.0 111.412 -169.428 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 18.4 ptm -141.13 161.61 37.46 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 125.379 1.472 . . . . 0.0 107.372 163.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -158.58 72.85 0.61 Allowed 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 175.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -134.43 147.95 65.57 Favored Pre-proline 0 C--O 1.236 0.393 0 C-N-CA 123.17 0.588 . . . . 0.0 109.69 -169.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -77.03 72.37 5.88 Favored 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 124.271 3.314 . . . . 0.0 108.75 175.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -142.47 -64.22 0.42 Allowed 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -58.44 91.19 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.885 1.274 . . . . 0.0 110.756 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 56.0 m170 -124.36 163.37 21.87 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 125.433 1.493 . . . . 0.0 109.485 -170.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -138.69 93.06 2.68 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 121.982 -0.449 . . . . 0.0 110.243 -158.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 41.3 mt -83.23 101.71 8.25 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 177.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 5.7 tt -69.45 105.56 2.66 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 120.65 -1.282 . . . . 0.0 109.153 172.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 28.5 t -117.72 -173.11 2.37 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 128.175 2.59 . . . . 0.0 107.595 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 25.5 m -114.62 160.44 14.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 159.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . 1.137 ' SG ' 'ZN ' ' B' ' 57' ' ' ' ZN' . 45.0 t -68.68 135.69 51.75 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 165.117 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 9.2 t -56.97 -37.5 71.67 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 178.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.02 -20.8 8.57 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -166.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 5.9 m -85.02 -16.42 40.81 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 118.347 -0.835 . . . . 0.0 111.622 166.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 30.4 t0 42.21 50.69 4.5 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 126.084 1.753 . . . . 0.0 111.283 -170.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.86 149.03 18.68 Favored Glycine 0 C--N 1.337 0.612 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -176.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.19 112.58 1.41 Allowed 'General case' 0 C--O 1.232 0.136 0 C-N-CA 127.675 2.39 . . . . 0.0 108.894 -175.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 14.9 mt -112.14 115.32 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 166.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -75.93 87.98 2.9 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 125.004 1.321 . . . . 0.0 108.231 164.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 80.4 mt -70.44 93.85 0.91 Allowed 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.233 1.013 . . . . 0.0 109.527 -171.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 16.4 m -75.68 98.19 4.01 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 173.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 17.5 m -112.52 142.07 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 N-CA-C 104.363 -2.458 . . . . 0.0 104.363 172.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -104.39 91.61 3.98 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 103.831 -2.655 . . . . 0.0 103.831 -170.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.3 m -153.2 133.44 13.47 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 124.709 1.204 . . . . 0.0 111.447 -158.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 14.2 m -57.51 149.4 21.22 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.698 0.799 . . . . 0.0 110.365 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.3 -41.94 72.99 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.455 1.025 . . . . 0.0 113.435 -168.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -80.97 -22.28 39.66 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 121.679 -0.638 . . . . 0.0 112.636 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -74.28 -40.17 62.48 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 123.398 0.679 . . . . 0.0 109.207 173.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tt -58.28 -45.12 88.47 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 125.553 1.541 . . . . 0.0 109.472 169.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -58.6 -53.93 52.75 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 176.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 62.0 m -52.92 -52.86 56.29 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.578 1.551 . . . . 0.0 110.21 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.09 -31.81 73.21 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.708 -0.62 . . . . 0.0 110.61 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -69.77 -25.19 63.69 Favored 'General case' 0 CA--C 1.546 0.788 0 O-C-N 120.317 -1.489 . . . . 0.0 110.912 172.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -69.88 -35.23 74.5 Favored 'General case' 0 C--N 1.345 0.376 0 CA-C-N 119.854 1.206 . . . . 0.0 109.851 169.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 14.9 mt -57.4 -44.41 84.53 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.781 0.719 . . . . 0.0 110.239 167.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -60.55 -47.4 86.33 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 118.319 0.509 . . . . 0.0 110.825 176.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 16.6 mt -60.11 -30.85 69.54 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.707 0.803 . . . . 0.0 112.328 175.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 18.3 t -69.63 -65.22 0.74 Allowed 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.877 0.871 . . . . 0.0 109.743 174.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 65.6 p -150.3 -23.47 0.24 Allowed 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -176.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.73 152.7 42.55 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -159.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.1 p -138.07 173.28 11.79 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.165 1.786 . . . . 0.0 109.346 178.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -131.69 153.65 49.79 Favored 'General case' 0 C--O 1.237 0.431 0 O-C-N 121.188 -0.945 . . . . 0.0 109.22 178.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 13.0 t -139.51 96.47 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.062 0 C-N-CA 126.334 1.853 . . . . 0.0 106.158 -169.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 3.4 p -57.4 154.79 21.54 Favored Pre-proline 0 CA--C 1.539 0.524 0 C-N-CA 124.669 1.188 . . . . 0.0 111.118 -174.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.9 -24.19 71.38 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 122.393 2.062 . . . . 0.0 113.887 -175.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 26.1 t90 -57.51 -65.24 0.66 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.421 1.488 . . . . 0.0 110.44 171.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 14.0 p -70.21 -23.05 62.88 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 119.11 0.868 . . . . 0.0 112.523 175.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.67 -39.9 90.1 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 118.259 -1.376 . . . . 0.0 109.675 177.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 24.2 m -71.57 -54.38 10.67 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 127.28 2.232 . . . . 0.0 111.235 173.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -87.26 -12.55 46.33 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -166.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 . . . . . 0 C--O 1.249 1.042 0 C-N-CA 127.218 2.207 . . . . 0.0 109.937 -166.326 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . 1.127 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ' ZN' . . . . . 1.137 'ZN ' ' SG ' ' B' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.092 0 N-CA-C 110.05 -1.22 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 m -64.74 90.68 0.08 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.067 1.347 . . . . 0.0 110.354 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -130.97 -0.41 4.18 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.246 1.018 . . . . 0.0 112.441 -173.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 51.0 ttm -67.63 114.06 5.95 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.98 0.912 . . . . 0.0 108.742 173.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -146.91 136.14 22.62 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 105.795 -1.928 . . . . 0.0 105.795 166.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -136.22 159.18 71.84 Favored Pre-proline 0 C--O 1.237 0.433 0 CA-C-O 118.867 -0.587 . . . . 0.0 109.972 -158.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -75.84 60.25 5.98 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 124.141 3.228 . . . . 0.0 110.287 178.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -134.1 -72.63 0.49 Allowed 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.991 1.716 . . . . 0.0 107.906 -171.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.53 90.04 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 126.289 1.836 . . . . 0.0 111.253 -178.418 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 44.4 m170 -120.8 165.59 14.93 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 124.319 1.048 . . . . 0.0 109.912 -173.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.36 96.94 3.46 Favored 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 123.739 0.816 . . . . 0.0 109.172 -163.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.9 mt -85.89 101.39 10.17 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.242 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 173.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tt -67.67 113.82 5.77 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 120.889 -1.132 . . . . 0.0 108.634 172.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.7 t -125.04 -175.59 3.33 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 127.039 2.136 . . . . 0.0 107.697 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.3 m -113.43 158.5 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 159.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 14.7 t -72.09 129.72 39.19 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 168.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.3 t -57.38 -35.83 70.49 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -173.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -105.91 -11.14 16.3 Favored 'General case' 0 C--N 1.339 0.115 0 C-N-CA 124.731 1.213 . . . . 0.0 113.351 -170.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.0 m -105.03 -19.34 13.86 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.736 0.814 . . . . 0.0 112.631 173.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.6 t0 48.22 31.79 2.78 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.864 1.666 . . . . 0.0 111.985 -164.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.62 145.4 15.97 Favored Glycine 0 C--N 1.34 0.799 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 -175.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -60.99 113.71 2.69 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 126.75 2.02 . . . . 0.0 109.057 -174.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.4 mt -114.82 118.34 58.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 168.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -78.15 89.51 4.25 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 164.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.6 mt -68.65 95.58 0.66 Allowed 'General case' 0 C--N 1.344 0.341 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -171.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.4 m -80.23 101.82 9.1 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 177.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 m -118.18 134.36 62.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 104.521 -2.4 . . . . 0.0 104.521 177.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -98.92 88.52 4.02 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 102.916 -2.994 . . . . 0.0 102.916 -168.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.5 m -148.18 130.3 15.45 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 120.883 -1.136 . . . . 0.0 110.956 -158.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.5 m -60.32 143.43 52.95 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -174.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.31 -36.24 41.7 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -162.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -99.06 -14.31 19.48 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -176.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -71.24 -39.64 71.54 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 124.514 1.126 . . . . 0.0 108.357 162.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.2 tt -61.15 -46.51 90.26 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 125.66 1.584 . . . . 0.0 110.149 169.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -56.15 -50.67 70.5 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 123.981 0.912 . . . . 0.0 108.648 175.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.6 m -56.21 -52.32 64.85 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.164 0.986 . . . . 0.0 110.08 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.16 -30.28 71.46 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.834 -0.541 . . . . 0.0 111.02 178.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -71.01 -28.04 64.12 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 120.343 -1.473 . . . . 0.0 111.0 173.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -68.1 -36.17 79.36 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 119.697 1.135 . . . . 0.0 109.381 170.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.1 mt -56.83 -46.14 81.87 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 118.578 0.626 . . . . 0.0 110.442 166.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -60.14 -43.4 95.72 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.325 0.966 . . . . 0.0 111.433 177.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.5 mt -64.6 -28.87 69.92 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.841 0.856 . . . . 0.0 112.259 176.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.5 t -82.63 -57.18 3.44 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.626 1.17 . . . . 0.0 111.625 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 p -146.26 -24.55 0.44 Allowed 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.94 1.696 . . . . 0.0 115.478 -158.385 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.33 152.21 20.2 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 -158.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 p -138.74 173.84 11.15 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.46 1.904 . . . . 0.0 109.286 175.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -129.62 154.0 47.53 Favored 'General case' 0 C--O 1.238 0.48 0 O-C-N 121.108 -0.995 . . . . 0.0 109.145 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . 0.257 2.1 t -138.23 102.33 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 C-N-CA 125.508 1.523 . . . . 0.0 108.44 -175.557 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.4 p -57.03 145.82 63.21 Favored Pre-proline 0 CA--C 1.54 0.594 0 C-N-CA 124.353 1.061 . . . . 0.0 111.263 -174.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -61.7 -26.45 79.98 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 121.812 1.675 . . . . 0.0 113.515 -172.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 28.3 t90 -58.21 -62.5 1.79 Allowed 'General case' 0 C--O 1.235 0.31 0 C-N-CA 124.292 1.037 . . . . 0.0 110.317 171.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 4.3 p -68.68 -23.33 64.38 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 118.885 -0.579 . . . . 0.0 111.755 -176.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.55 -47.05 64.95 Favored 'General case' 0 N--CA 1.438 -1.043 0 O-C-N 123.904 0.752 . . . . 0.0 109.577 176.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.4 m -62.87 -43.91 97.54 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.42 1.088 . . . . 0.0 110.038 178.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -71.19 -44.4 65.52 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-O 118.872 -0.585 . . . . 0.0 111.903 -177.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 115.232 -2.318 . . . . 0.0 109.468 -159.298 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.671 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 10.6 t -156.76 -164.37 1.62 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.32 1.448 . . . . 0.0 110.08 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.93 142.43 46.25 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.466 0.707 . . . . 0.0 109.571 160.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 58.6 ttm -153.83 150.01 27.99 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 105.955 -1.869 . . . . 0.0 105.955 166.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.35 72.78 4.89 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.41 1.084 . . . . 0.0 109.48 174.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -85.89 150.6 53.32 Favored Pre-proline 0 CA--C 1.536 0.416 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -176.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -72.48 160.36 46.92 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 122.228 1.952 . . . . 0.0 108.504 162.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 74.54 -66.98 0.27 Allowed 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 126.453 1.901 . . . . 0.0 107.706 176.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -58.19 82.96 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.823 2.449 . . . . 0.0 112.805 -177.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -117.69 166.74 12.06 Favored 'General case' 0 CA--C 1.529 0.15 0 O-C-N 121.333 -0.854 . . . . 0.0 109.538 -174.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -137.22 93.78 2.86 Favored 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 123.559 0.744 . . . . 0.0 109.131 -158.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 27.0 mt -85.29 101.6 9.96 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.187 0 N-CA-C 105.919 -1.882 . . . . 0.0 105.919 173.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 tt -65.86 114.27 4.97 Favored 'General case' 0 N--CA 1.448 -0.533 0 O-C-N 121.006 -1.059 . . . . 0.0 108.21 170.339 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 17.5 t -119.71 -176.1 3.1 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 126.41 1.884 . . . . 0.0 107.76 172.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -111.61 159.08 11.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 159.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . 1.129 ' SG ' 'ZN ' ' B' ' 57' ' ' ' ZN' . 17.0 t -69.56 127.46 33.06 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 167.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 7.1 t -53.46 -34.91 59.71 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.633 0.773 . . . . 0.0 112.799 -174.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 4.6 ptpt -106.07 -22.01 12.99 Favored 'General case' 0 C--N 1.341 0.205 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -174.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.0 m -94.12 -17.5 22.74 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 118.758 0.708 . . . . 0.0 111.228 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 27.5 t0 46.76 36.13 3.61 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.108 1.763 . . . . 0.0 111.435 -166.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -110.01 146.02 17.1 Favored Glycine 0 C--N 1.34 0.785 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -176.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -60.08 117.31 4.96 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 126.136 1.774 . . . . 0.0 108.78 -174.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 15.9 mt -117.0 121.75 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 167.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -76.46 94.7 3.71 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 162.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 40.1 mt -72.52 93.78 1.61 Allowed 'General case' 0 C--O 1.235 0.309 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 8.2 m -81.74 93.5 6.82 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 178.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 10.7 m -109.53 128.47 65.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 104.161 -2.533 . . . . 0.0 104.161 -177.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -94.54 80.15 3.85 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 -169.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -145.57 123.65 12.13 Favored 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 125.473 1.509 . . . . 0.0 109.712 -158.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.6 m -57.83 147.53 28.08 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 125.171 1.388 . . . . 0.0 109.094 -171.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.91 -38.5 36.31 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 -162.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -98.83 -12.4 20.87 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -176.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -72.58 -40.58 66.48 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 125.451 1.5 . . . . 0.0 108.476 163.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.93 -46.12 91.98 Favored 'General case' 0 C--N 1.343 0.32 0 C-N-CA 125.99 1.716 . . . . 0.0 109.623 169.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -59.09 -50.31 74.55 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 124.021 0.928 . . . . 0.0 108.615 177.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 75.6 m -55.67 -51.02 68.68 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 122.95 0.5 . . . . 0.0 109.754 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.3 -28.26 68.55 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 121.78 -0.575 . . . . 0.0 111.839 178.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -66.96 -34.09 77.0 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 120.211 -1.556 . . . . 0.0 109.678 170.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -67.14 -35.72 80.31 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 119.536 1.062 . . . . 0.0 109.581 173.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 32.5 mt -57.14 -44.55 83.48 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 118.647 0.658 . . . . 0.0 110.593 168.002 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -61.95 -44.17 97.32 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.325 0.966 . . . . 0.0 111.382 177.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 38.1 mt -64.16 -28.51 69.81 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.639 0.775 . . . . 0.0 111.983 176.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 11.2 t -81.2 -63.2 1.45 Allowed 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.837 1.655 . . . . 0.0 112.298 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.41 -19.62 0.69 Allowed 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 116.192 1.923 . . . . 0.0 116.192 -158.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 mp -105.25 154.32 20.39 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 115.219 1.563 . . . . 0.0 115.219 -160.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.8 p -142.96 175.9 9.49 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.356 1.862 . . . . 0.0 109.42 178.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -133.46 153.88 51.26 Favored 'General case' 0 C--O 1.237 0.404 0 O-C-N 120.914 -1.116 . . . . 0.0 109.273 178.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 2.3 t -139.44 102.83 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.046 0 C-N-CA 125.968 1.707 . . . . 0.0 107.104 -173.348 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 4.3 p -56.67 146.66 55.35 Favored Pre-proline 0 N--CA 1.473 0.693 0 C-N-CA 124.62 1.168 . . . . 0.0 111.006 -173.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -59.59 -27.77 85.78 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 121.924 1.749 . . . . 0.0 114.002 -172.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -57.22 -65.14 0.67 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.581 1.152 . . . . 0.0 110.17 170.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.41 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 10.8 p -66.55 -26.81 67.3 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 118.585 0.629 . . . . 0.0 111.361 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.89 -39.76 90.49 Favored 'General case' 0 N--CA 1.438 -1.059 0 O-C-N 121.734 -0.604 . . . . 0.0 109.63 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 21.7 m -76.76 -47.38 21.89 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.802 1.641 . . . . 0.0 111.258 176.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . 0.433 ' N ' HD21 ' B' ' 55' ' ' ASN . 0.9 OUTLIER -78.58 -15.83 58.1 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.15 0.98 . . . . 0.0 113.466 -169.736 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.246 0.908 0 C-N-CA 127.666 2.386 . . . . 0.0 109.321 -163.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ' ZN' . . . . . 1.129 'ZN ' ' SG ' ' B' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.134 0 N-CA-C 109.056 -1.617 . . . . 0.0 109.056 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 t -65.82 164.99 13.69 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 117.869 0.835 . . . . 0.0 109.533 165.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -154.41 41.64 0.49 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.483 1.913 . . . . 0.0 108.603 -177.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 19.1 ttt -131.84 127.53 36.77 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 125.274 1.43 . . . . 0.0 107.913 -174.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -167.91 100.18 0.46 Allowed 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 126.764 2.026 . . . . 0.0 109.912 -169.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 -137.22 162.48 55.15 Favored Pre-proline 0 C--O 1.235 0.325 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -176.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -65.56 176.16 3.7 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 121.814 1.676 . . . . 0.0 110.938 173.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 61.47 -75.02 0.03 OUTLIER 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 127.674 2.39 . . . . 0.0 110.465 -171.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.09 83.59 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 127.933 2.493 . . . . 0.0 112.981 -177.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.9 m170 -121.93 165.78 15.44 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.997 1.319 . . . . 0.0 109.885 -171.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.24 102.57 4.53 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 123.617 0.767 . . . . 0.0 109.314 -166.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.5 mt -89.31 100.17 10.39 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.239 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 173.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 tt -68.11 114.54 6.71 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 120.73 -1.231 . . . . 0.0 109.02 171.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.0 t -126.79 -170.52 2.22 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.664 1.586 . . . . 0.0 109.188 173.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.6 m -125.43 155.79 34.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 C-N-CA 123.7 0.8 . . . . 0.0 109.849 172.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.135 ' SG ' 'ZN ' ' A' ' 57' ' ' ' ZN' . 9.1 t -78.92 123.36 27.19 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 125.001 1.32 . . . . 0.0 109.304 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.6 t -67.41 -28.28 67.78 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.678 1.126 . . . . 0.0 112.61 -172.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.25 -16.92 28.41 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-N 119.035 0.834 . . . . 0.0 111.67 -172.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.8 p -140.98 2.52 1.74 Allowed 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 -172.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.8 t0 51.06 25.8 2.48 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 127.709 2.404 . . . . 0.0 113.621 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.37 146.05 31.25 Favored Glycine 0 C--N 1.339 0.727 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -66.49 120.23 13.03 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 125.384 1.473 . . . . 0.0 108.7 176.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.5 mt -123.38 112.12 32.19 Favored 'Isoleucine or valine' 0 C--N 1.341 0.209 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 175.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -80.0 86.98 5.43 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 168.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.6 mt -68.42 96.07 0.66 Allowed 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -171.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.0 m -84.03 103.71 13.49 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 -178.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.3 m -119.33 148.82 22.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 105.682 -1.97 . . . . 0.0 105.682 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -120.99 82.21 1.89 Allowed 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 -161.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 t -155.66 169.02 25.29 Favored 'General case' 0 C--N 1.345 0.381 0 C-N-CA 123.118 0.567 . . . . 0.0 112.261 -170.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.4 m -62.39 150.95 38.33 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.117 0.567 . . . . 0.0 109.834 175.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.12 -44.6 87.82 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -171.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -69.52 -31.73 70.15 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -69.19 -47.25 65.41 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.544 1.138 . . . . 0.0 108.847 176.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.62 -42.6 67.9 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 126.909 2.084 . . . . 0.0 111.661 170.439 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -71.88 -45.5 61.06 Favored 'General case' 0 CA--C 1.507 -0.684 0 C-N-CA 126.814 2.045 . . . . 0.0 108.55 -175.222 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.5 m -55.39 -49.85 71.26 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 173.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.5 -40.07 68.17 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.727 1.211 . . . . 0.0 111.878 171.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -65.33 -35.03 79.73 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 120.78 -1.2 . . . . 0.0 109.48 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -69.54 -31.74 70.13 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 119.71 1.141 . . . . 0.0 110.735 175.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.6 mt -58.69 -49.63 76.85 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 119.164 0.893 . . . . 0.0 109.838 168.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.09 -42.54 94.86 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 122.635 0.374 . . . . 0.0 111.362 177.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.87 -38.5 85.81 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.004 1.322 . . . . 0.0 110.599 175.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.6 t -67.18 -62.44 1.43 Allowed 'General case' 0 C--N 1.342 0.24 0 C-N-CA 123.85 0.86 . . . . 0.0 110.443 177.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.3 p -151.78 -30.08 0.17 Allowed 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.834 1.254 . . . . 0.0 114.361 -167.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mp -76.24 151.61 36.77 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -162.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.9 p -146.3 172.59 13.25 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 122.43 1.109 . . . . 0.0 110.896 170.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -118.77 151.57 37.79 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 106.093 -1.817 . . . . 0.0 106.093 -178.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.438 ' HA ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -119.49 108.06 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 O-C-N 124.081 0.863 . . . . 0.0 108.913 169.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.5 p -52.42 147.51 14.05 Favored Pre-proline 0 CA--C 1.535 0.371 0 C-N-CA 125.087 1.355 . . . . 0.0 110.363 -175.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -58.59 -28.44 85.92 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 121.699 1.599 . . . . 0.0 112.932 -176.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -53.4 -61.44 2.3 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.225 1.01 . . . . 0.0 110.605 166.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.41 -30.76 69.74 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 118.897 -0.573 . . . . 0.0 111.558 -175.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.74 -33.89 76.63 Favored 'General case' 0 N--CA 1.446 -0.667 0 O-C-N 123.64 0.587 . . . . 0.0 110.839 176.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.1 m -77.11 -43.59 33.58 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.054 0.942 . . . . 0.0 110.816 176.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -68.3 -39.64 82.01 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 118.448 0.567 . . . . 0.0 111.357 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.163 0 C-N-CA 129.9 3.28 . . . . 0.0 113.287 -176.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.17 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 10.7 t -154.62 -177.02 6.19 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.927 1.291 . . . . 0.0 107.528 172.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -142.73 176.79 8.78 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.061 1.744 . . . . 0.0 108.498 177.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -158.7 -178.44 7.26 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.936 0.894 . . . . 0.0 110.892 -170.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . 59.05 20.78 8.64 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.599 1.96 . . . . 0.0 114.235 174.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -80.44 162.37 61.26 Favored Pre-proline 0 CA--C 1.537 0.472 0 C-N-CA 124.769 1.228 . . . . 0.0 110.063 173.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -73.22 63.32 4.29 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 124.315 3.344 . . . . 0.0 110.531 175.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -130.31 -76.75 0.54 Allowed 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 125.788 1.635 . . . . 0.0 108.249 -175.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -55.16 92.55 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.879 2.072 . . . . 0.0 111.474 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -120.2 168.55 11.11 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.392 1.077 . . . . 0.0 110.341 -174.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -136.53 87.43 2.29 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 124.39 1.076 . . . . 0.0 108.66 -163.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 27.9 mt -82.64 100.07 6.06 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 177.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 tt -68.72 110.72 4.44 Favored 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 121.137 -0.977 . . . . 0.0 108.906 173.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 89.0 m -120.43 -172.65 2.41 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.906 1.282 . . . . 0.0 109.089 170.144 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -115.0 152.94 16.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 164.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . 1.146 ' SG ' 'ZN ' ' B' ' 57' ' ' ' ZN' . 44.0 t -67.14 130.36 42.85 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 170.231 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 10.0 t -52.77 -33.18 47.36 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.939 0.896 . . . . 0.0 113.315 -177.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.71 -18.41 8.99 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -170.181 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 m -90.14 -19.01 24.77 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 118.549 -0.738 . . . . 0.0 111.597 168.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 26.9 t0 46.08 37.68 4.06 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.958 1.703 . . . . 0.0 111.488 -166.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -112.96 147.21 18.48 Favored Glycine 0 C--N 1.339 0.728 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 -176.053 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -61.18 111.59 1.78 Allowed 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 127.321 2.249 . . . . 0.0 109.714 -173.324 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 34.0 mt -107.99 116.62 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 169.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -80.09 88.45 5.4 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 165.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.4 mt -65.88 99.31 0.47 Allowed 'General case' 0 C--N 1.342 0.262 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -174.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . 0.256 1.2 m -86.69 88.13 7.6 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 -173.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 6.5 m -116.56 113.05 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 -172.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -69.54 97.58 1.04 Allowed 'General case' 0 C--O 1.233 0.226 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 170.334 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.0 m -160.25 117.54 2.51 Favored 'General case' 0 N--CA 1.435 -1.217 0 O-C-N 120.779 -1.201 . . . . 0.0 110.305 -159.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 11.2 m -61.99 140.01 58.37 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 124.874 1.27 . . . . 0.0 108.055 -170.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.75 -44.06 27.75 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -165.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -80.85 -28.16 36.17 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 122.02 0.914 . . . . 0.0 111.873 -172.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -73.02 -42.98 62.62 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 125.014 1.326 . . . . 0.0 108.956 172.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.67 -39.13 76.4 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 125.733 1.613 . . . . 0.0 111.034 172.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -68.0 -46.05 72.38 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 126.337 1.855 . . . . 0.0 108.727 177.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 33.8 m -56.61 -47.87 78.71 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 173.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.69 -39.84 71.56 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.572 1.549 . . . . 0.0 111.23 170.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -66.15 -31.13 71.8 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.513 -1.367 . . . . 0.0 109.495 177.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -72.45 -34.06 67.49 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 121.104 -0.998 . . . . 0.0 110.296 173.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 64.5 mt -61.06 -35.24 76.42 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.711 1.141 . . . . 0.0 110.59 167.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.65 -50.11 73.84 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 124.665 1.186 . . . . 0.0 109.871 175.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 58.0 mt -65.09 -31.68 73.01 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.006 0.922 . . . . 0.0 112.197 175.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 12.1 t -63.93 -55.26 23.88 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 125.34 1.456 . . . . 0.0 110.225 176.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 18.6 m -165.35 -31.16 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.145 0.978 . . . . 0.0 113.004 -175.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.3 tt -66.25 108.05 2.17 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 119.555 1.07 . . . . 0.0 112.17 -163.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.6 p -87.3 172.78 9.61 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 122.32 1.057 . . . . 0.0 108.291 160.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -131.21 147.62 52.62 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 124.103 0.961 . . . . 0.0 109.443 -177.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 10.5 t -142.44 102.09 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.93 0 C-N-CA 126.231 1.812 . . . . 0.0 106.794 -165.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 5.2 p -59.62 152.5 56.35 Favored Pre-proline 0 CA--C 1.54 0.567 0 C-N-CA 124.258 1.023 . . . . 0.0 110.996 -176.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -60.54 -25.76 81.36 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 122.471 2.114 . . . . 0.0 113.534 -173.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 21.9 t90 -57.06 -65.15 0.67 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.754 1.622 . . . . 0.0 110.085 172.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.425 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 30.4 p -70.45 -23.86 62.79 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 118.516 0.598 . . . . 0.0 111.966 177.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.35 94.27 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 119.262 -0.975 . . . . 0.0 109.181 178.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 23.2 m -73.91 -52.32 13.3 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.175 2.19 . . . . 0.0 111.374 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -102.72 -14.71 16.56 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -163.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 C--O 1.252 1.191 0 CA-C-O 115.246 -2.311 . . . . 0.0 110.438 -159.075 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . 1.135 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ' ZN' . . . . . 1.146 'ZN ' ' SG ' ' B' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.376 0 N-CA-C 109.712 -1.355 . . . . 0.0 109.712 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.3 p -66.93 -47.77 70.69 Favored 'General case' 0 C--N 1.343 0.284 0 CA-C-N 118.942 1.371 . . . . 0.0 109.667 172.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 61.69 -38.71 0.12 Allowed 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 128.898 2.879 . . . . 0.0 112.616 -167.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.1 ttt -59.45 136.65 58.04 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 158.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.34 166.22 33.9 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 128.976 2.91 . . . . 0.0 105.422 158.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.9 mp0 -89.87 148.45 39.79 Favored Pre-proline 0 CA--C 1.538 0.481 0 C-N-CA 123.284 0.633 . . . . 0.0 110.442 -164.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -77.64 58.96 6.6 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 124.495 3.463 . . . . 0.0 109.578 177.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -150.58 -65.65 0.2 Allowed 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.057 0.943 . . . . 0.0 109.253 -173.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -57.31 92.07 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.98 1.712 . . . . 0.0 110.505 178.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -126.09 144.4 50.74 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 124.475 1.11 . . . . 0.0 109.694 -168.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -125.35 89.9 3.13 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.356 0.663 . . . . 0.0 109.97 -158.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.0 mt -83.79 104.56 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 106.412 -1.699 . . . . 0.0 106.412 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.8 tt -65.91 113.33 4.31 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 120.815 -1.178 . . . . 0.0 108.674 168.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.3 t -117.49 -175.94 2.92 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.999 1.72 . . . . 0.0 108.729 172.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.3 m -118.87 162.45 16.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 C-N-CA 123.882 0.873 . . . . 0.0 108.933 161.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 1.13 ' SG ' 'ZN ' ' A' ' 57' ' ' ' ZN' . 14.7 t -88.45 113.65 24.26 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 125.038 1.335 . . . . 0.0 109.29 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -78.31 6.24 8.73 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -171.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.67 -21.75 12.55 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 170.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.4 p -136.29 4.28 2.91 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -173.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.9 t0 46.11 41.91 9.1 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 127.885 2.474 . . . . 0.0 113.236 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.75 148.65 19.06 Favored Glycine 0 C--N 1.338 0.645 0 N-CA-C 109.082 -1.607 . . . . 0.0 109.082 171.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -64.53 131.32 46.73 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 169.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.1 mt -127.63 119.77 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 171.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -77.69 109.91 12.09 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 159.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.4 mt -87.95 94.38 9.76 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.096 0.958 . . . . 0.0 108.919 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.0 m -74.73 115.41 14.28 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 165.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.7 m -126.0 137.82 56.51 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 103.666 -2.716 . . . . 0.0 103.666 170.202 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -100.52 96.28 7.28 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 104.449 -2.426 . . . . 0.0 104.449 -168.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.1 m -153.0 132.69 13.1 Favored 'General case' 0 N--CA 1.444 -0.764 0 O-C-N 120.991 -1.068 . . . . 0.0 112.39 -158.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.5 m -59.58 142.88 51.8 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.531 0.732 . . . . 0.0 109.114 176.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.21 -35.69 60.17 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 -163.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -100.44 -15.89 17.77 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -174.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -68.65 -41.03 79.95 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 160.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.81 -45.26 94.62 Favored 'General case' 0 C--N 1.345 0.37 0 C-N-CA 125.004 1.321 . . . . 0.0 110.439 172.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -56.68 -49.23 75.73 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.023 1.329 . . . . 0.0 108.768 175.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.4 m -56.81 -52.22 65.91 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 123.351 0.66 . . . . 0.0 109.887 177.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.93 -31.61 70.01 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-O 121.183 0.516 . . . . 0.0 111.015 176.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -72.74 -25.68 61.29 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 120.18 -1.575 . . . . 0.0 111.058 175.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -71.48 -32.76 68.64 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 119.947 1.248 . . . . 0.0 109.664 170.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.7 mt -55.43 -50.02 70.91 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.308 0.504 . . . . 0.0 110.68 163.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -57.88 -42.91 85.57 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 118.361 0.528 . . . . 0.0 111.411 177.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 tt -61.03 -30.59 70.4 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.855 1.262 . . . . 0.0 112.024 174.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.3 t -70.79 -70.3 0.31 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.024 0.829 . . . . 0.0 110.413 175.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.9 p -145.0 -14.67 0.52 Allowed 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.8 mp -76.86 147.04 37.34 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 121.829 0.823 . . . . 0.0 112.857 -158.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.6 p -145.7 176.59 9.52 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 124.785 1.234 . . . . 0.0 109.229 172.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -117.91 156.06 29.11 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 -178.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.472 ' HB ' ' SG ' ' A' ' 52' ' ' CYS . 1.9 m -126.73 102.5 9.68 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.305 0 C-N-CA 124.372 1.069 . . . . 0.0 108.287 173.492 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.5 p -48.31 149.24 2.79 Favored Pre-proline 0 CA--C 1.536 0.432 0 C-N-CA 127.749 2.42 . . . . 0.0 111.078 -175.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -57.38 -27.71 76.96 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.604 2.203 . . . . 0.0 114.241 -173.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -53.5 -60.72 2.94 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.435 1.094 . . . . 0.0 110.569 166.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.472 ' SG ' ' HB ' ' A' ' 48' ' ' VAL . 0.5 OUTLIER -76.86 -19.56 57.34 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.875 0.87 . . . . 0.0 111.685 -175.371 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.47 -50.81 72.07 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 168.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 20.4 m -71.43 -48.26 50.7 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.334 1.853 . . . . 0.0 111.63 -177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.92 -35.2 78.04 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.14 0.576 . . . . 0.0 110.879 -179.011 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 . . . . . 0 C--O 1.251 1.156 0 C-N-CA 125.576 1.55 . . . . 0.0 111.836 -176.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.412 ' C ' ' HG ' ' B' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.472 1.051 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.412 ' HG ' ' C ' ' B' ' 1' ' ' GLY . 48.7 m -165.58 177.14 7.57 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 120.456 -1.614 . . . . 0.0 111.075 -173.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 69.88 -48.72 0.62 Allowed 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 128.829 2.852 . . . . 0.0 112.562 175.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 40.2 tpp -66.63 143.29 57.09 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 160.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.33 77.16 1.86 Allowed 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 165.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -65.95 142.74 98.18 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-O 119.522 -0.275 . . . . 0.0 111.718 -168.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -78.98 39.08 0.77 Allowed 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 124.44 3.427 . . . . 0.0 109.72 168.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -143.48 -70.65 0.31 Allowed 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 117.526 -1.226 . . . . 0.0 109.668 -167.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -53.7 90.38 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.862 1.664 . . . . 0.0 112.317 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 54.5 m170 -126.29 176.39 7.13 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 126.088 1.755 . . . . 0.0 110.739 -168.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.16 103.5 4.15 Favored 'General case' 0 C--N 1.34 0.187 0 C-N-CA 124.404 1.082 . . . . 0.0 110.041 -164.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 56.3 mt -90.09 101.93 12.74 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.286 0 N-CA-C 106.708 -1.589 . . . . 0.0 106.708 168.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 tt -68.4 118.36 11.37 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 120.532 -1.355 . . . . 0.0 108.972 172.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 14.9 t -124.46 -177.25 3.74 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 127.082 2.153 . . . . 0.0 108.183 174.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.3 m -114.85 160.9 13.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 159.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' CYS . . . . . 1.144 ' SG ' 'ZN ' ' B' ' 57' ' ' ' ZN' . 20.9 t -72.15 131.98 43.53 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 123.598 0.759 . . . . 0.0 109.235 170.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 9.2 t -55.18 -37.48 67.1 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.66 1.184 . . . . 0.0 112.217 -177.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -107.59 -16.81 14.26 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -173.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.0 m -101.67 -17.72 16.18 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 119.112 0.869 . . . . 0.0 112.104 178.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 25.3 t0 49.59 27.46 2.14 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.706 1.602 . . . . 0.0 111.978 -165.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.54 145.0 17.64 Favored Glycine 0 C--N 1.339 0.726 0 N-CA-C 109.384 -1.486 . . . . 0.0 109.384 -175.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -62.23 113.96 3.18 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 126.418 1.887 . . . . 0.0 109.074 -175.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 10.7 mt -117.28 114.44 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 171.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -75.98 92.32 3.13 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 166.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.6 mt -70.29 96.8 1.15 Allowed 'General case' 0 C--N 1.343 0.313 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 -174.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' THR . . . . . . . . . . . . 0.262 10.3 m -90.39 98.77 11.97 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 105.285 -2.117 . . . . 0.0 105.285 -169.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 19.8 m -121.97 118.43 55.53 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 C-N-CA 126.625 1.97 . . . . 0.0 105.687 -171.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' GLU . . . . . 0.446 ' C ' ' HG ' ' B' ' 29' ' ' SER . 42.8 mt-10 -70.14 102.91 2.18 Favored 'General case' 0 C--O 1.231 0.106 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 169.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.446 ' HG ' ' C ' ' B' ' 28' ' ' GLU . 71.1 m -160.39 135.59 7.93 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 124.349 1.06 . . . . 0.0 109.858 -160.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 21.1 m -71.45 143.76 49.97 Favored 'General case' 0 C--O 1.223 -0.323 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -177.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.66 -39.42 36.3 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 -164.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -98.36 -12.84 21.05 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -174.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -36.9 67.68 Favored 'General case' 0 N--CA 1.442 -0.87 0 O-C-N 121.491 -0.755 . . . . 0.0 109.312 159.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.03 -41.83 97.29 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 125.027 1.331 . . . . 0.0 109.309 172.514 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -57.55 -51.7 68.39 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 124.585 1.154 . . . . 0.0 108.121 170.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 66.8 m -58.49 -48.62 80.18 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.321 0.51 . . . . 0.0 110.548 -179.013 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.78 -25.47 64.72 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.192 0.906 . . . . 0.0 111.502 178.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -67.02 -38.37 85.81 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.173 -0.954 . . . . 0.0 109.274 168.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -66.87 -30.25 70.37 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.652 173.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 48.8 mt -60.88 -49.1 78.81 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-N 119.696 1.134 . . . . 0.0 109.922 168.119 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -57.0 -41.09 77.82 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.587 1.085 . . . . 0.0 111.438 174.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 9.7 tt -65.01 -37.96 89.35 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.087 0.955 . . . . 0.0 111.884 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 8.8 t -73.66 -61.77 1.72 Allowed 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 126.922 2.089 . . . . 0.0 111.864 -178.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.65 -35.21 0.46 Allowed 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 125.116 1.366 . . . . 0.0 114.43 -158.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mp -91.36 160.89 15.25 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -160.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.5 p -140.82 175.68 9.42 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 125.449 1.499 . . . . 0.0 109.095 174.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -129.78 148.11 51.62 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 121.158 -0.964 . . . . 0.0 109.503 177.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 2.3 t -141.89 107.76 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.131 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 -174.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 1.6 p -57.32 141.44 77.66 Favored Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 123.946 0.899 . . . . 0.0 109.928 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -62.74 -24.75 74.74 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 121.369 1.379 . . . . 0.0 113.465 -171.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -54.09 -66.69 0.35 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.986 1.314 . . . . 0.0 109.807 167.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.415 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 3.1 p -66.54 -22.34 66.16 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 117.741 0.246 . . . . 0.0 111.491 -178.215 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.48 87.34 Favored 'General case' 0 N--CA 1.438 -1.063 0 C-N-CA 121.074 -0.251 . . . . 0.0 110.955 177.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 22.5 m -89.49 -37.75 14.53 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.314 1.846 . . . . 0.0 111.18 -174.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.45 -40.27 96.06 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.482 0.583 . . . . 0.0 109.495 169.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 129.74 3.216 . . . . 0.0 111.644 175.68 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ' ZN' . . . . . 1.13 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ' ZN' . . . . . 1.144 'ZN ' ' SG ' ' B' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 . . . . . 0 N--CA 1.449 -0.512 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.52 90.77 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 125.789 1.636 . . . . 0.0 111.216 178.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.0 m170 -121.51 162.8 19.9 Favored 'General case' 0 C--O 1.227 -0.119 0 C-N-CA 124.602 1.161 . . . . 0.0 109.112 -175.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -136.68 94.18 2.96 Favored 'General case' 0 N--CA 1.453 -0.325 0 O-C-N 122.15 -0.344 . . . . 0.0 110.664 -158.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.8 mt -83.79 95.51 3.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 105.39 -2.078 . . . . 0.0 105.39 171.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.79 100.0 3.91 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 173.768 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.3 t -112.91 -167.71 1.22 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.641 1.576 . . . . 0.0 109.588 -173.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.3 m -127.45 155.79 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.276 1.03 . . . . 0.0 109.284 171.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.443 ' SG ' ' HA ' ' A' ' 48' ' ' VAL . 16.4 t -83.62 131.33 34.97 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 124.889 1.276 . . . . 0.0 109.666 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.9 t -70.1 -29.97 67.06 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -171.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.44 -19.92 20.8 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-N 119.13 0.877 . . . . 0.0 111.88 -173.172 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.9 p -130.32 -0.89 4.52 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -173.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.6 t0 50.29 25.97 2.05 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.848 2.059 . . . . 0.0 113.021 -177.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.03 146.59 24.14 Favored Glycine 0 C--N 1.34 0.798 0 N-CA-C 108.343 -1.903 . . . . 0.0 108.343 178.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.43 135.11 54.81 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 107.621 -1.252 . . . . 0.0 107.621 176.059 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.7 mt -126.53 123.49 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 172.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.5 104.99 4.66 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 160.138 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.9 mt -89.23 87.14 7.03 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 172.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 92.8 m -71.11 103.63 2.81 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 119.136 -1.026 . . . . 0.0 108.358 164.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.466 HG12 ' CE2' ' B' ' 47' ' ' PHE . 6.7 m -112.71 124.84 69.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 N-CA-C 104.074 -2.565 . . . . 0.0 104.074 175.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -91.87 84.48 5.38 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 103.518 -2.771 . . . . 0.0 103.518 -169.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.9 m -147.98 129.95 15.33 Favored 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 124.215 1.006 . . . . 0.0 110.488 -158.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.6 m -58.5 144.89 40.88 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-O 118.471 -0.776 . . . . 0.0 109.017 -175.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.48 -38.61 44.91 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -163.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -96.33 -15.02 22.13 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -175.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -71.28 -40.23 71.05 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 162.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.453 ' HA ' HD23 ' A' ' 37' ' ' LEU . 3.2 tt -58.95 -46.9 86.9 Favored 'General case' 0 C--O 1.223 -0.298 0 C-N-CA 124.638 1.175 . . . . 0.0 109.432 171.074 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -56.24 -51.95 66.25 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.818 1.247 . . . . 0.0 108.53 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 91.3 m -54.82 -53.95 48.58 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.838 1.255 . . . . 0.0 110.077 178.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -64.44 -28.41 69.65 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 121.677 -0.639 . . . . 0.0 111.072 179.446 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -73.07 -24.63 60.69 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 120.517 -1.364 . . . . 0.0 111.134 172.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -69.59 -36.49 76.28 Favored 'General case' 0 N--CA 1.454 -0.275 0 O-C-N 120.889 -1.132 . . . . 0.0 109.523 166.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.6 mt -62.19 -34.99 77.51 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 118.852 0.751 . . . . 0.0 111.106 171.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -60.37 -54.6 43.67 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 118.891 0.769 . . . . 0.0 109.93 169.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.0 mt -61.16 -27.3 68.3 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.735 0.814 . . . . 0.0 112.406 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.2 t -68.54 -68.34 0.4 Allowed 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 126.07 1.748 . . . . 0.0 110.072 170.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.2 p -147.38 -34.04 0.26 Allowed 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -170.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.2 tt -69.28 137.38 52.99 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 117.997 0.362 . . . . 0.0 111.377 -161.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.5 p -118.89 171.03 8.52 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.561 0.744 . . . . 0.0 109.051 159.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.426 ' CE2' HG12 ' B' ' 27' ' ' VAL . 9.5 t80 -113.38 153.28 28.81 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 173.079 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.443 ' HA ' ' SG ' ' A' ' 16' ' ' CYS 0.322 0.4 OUTLIER -135.37 107.35 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 N-CA-C 107.599 -1.259 . . . . 0.0 107.599 179.129 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 p -56.27 143.49 64.64 Favored Pre-proline 0 CA--C 1.535 0.394 0 C-N-CA 125.15 1.38 . . . . 0.0 110.672 -167.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -61.98 -26.73 78.92 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 121.615 1.543 . . . . 0.0 112.856 -172.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -56.94 -63.93 1.04 Allowed 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.735 0.814 . . . . 0.0 109.564 169.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.5 p -65.61 -31.32 72.29 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 118.875 -0.583 . . . . 0.0 110.798 -174.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.11 -37.38 83.8 Favored 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 123.604 0.565 . . . . 0.0 110.408 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 30.3 m -71.95 -41.35 67.89 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.108 0.963 . . . . 0.0 110.678 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 m120 . . . . . 0 N--CA 1.471 0.624 0 C-N-CA 122.924 0.489 . . . . 0.0 111.257 178.778 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo . . . . . 0 CA--C 1.535 0.525 0 CA-C-O 121.357 0.482 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -129.47 -52.51 1.17 Allowed 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 125.615 1.566 . . . . 0.0 110.092 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -62.25 93.47 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 120.331 1.423 . . . . 0.0 111.4 -172.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 42.9 m170 -126.87 175.58 7.93 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 125.296 1.438 . . . . 0.0 110.697 -166.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -143.81 98.27 3.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.233 1.013 . . . . 0.0 109.752 -160.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 55.6 mt -86.58 96.63 5.54 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.216 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 169.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 tt -66.06 108.28 2.18 Favored 'General case' 0 N--CA 1.448 -0.562 0 O-C-N 121.041 -1.037 . . . . 0.0 108.519 168.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.82 -166.81 1.33 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.874 1.269 . . . . 0.0 108.251 173.114 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 19.4 m -125.22 153.81 32.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 171.297 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 21.8 t -71.14 132.14 44.61 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 171.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 49.6 t -54.2 -29.92 47.92 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.105 0.962 . . . . 0.0 112.934 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' LYS . . . . . 0.42 ' HE2' ' HB3' ' B' ' 18' ' ' LYS . 10.2 ptpt -127.43 -22.35 3.68 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -166.399 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.2 m -82.16 -16.77 48.67 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.242 164.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 27.9 t0 45.6 44.95 10.59 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 125.657 1.583 . . . . 0.0 110.737 -170.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.88 150.12 18.98 Favored Glycine 0 C--N 1.338 0.666 0 C-N-CA 124.919 1.247 . . . . 0.0 110.323 -171.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.73 113.92 2.5 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 127.581 2.352 . . . . 0.0 109.451 -176.377 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 9.6 mt -112.04 119.19 59.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 167.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -85.96 86.99 7.34 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 124.871 1.268 . . . . 0.0 108.621 173.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 60.8 mt -70.52 96.71 1.21 Allowed 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 -170.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 5.7 m -84.65 91.46 7.93 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 -176.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.426 HG12 ' CE2' ' A' ' 47' ' ' PHE . 5.0 m -119.36 135.11 60.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 105.303 -2.11 . . . . 0.0 105.303 -173.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -114.11 94.17 4.69 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 107.316 -1.364 . . . . 0.0 107.316 -160.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -160.8 160.56 31.33 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 21.1 m -53.72 147.05 12.25 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.828 0.851 . . . . 0.0 109.977 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.27 -38.88 55.2 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 -166.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -83.45 -21.74 32.81 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -175.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -73.5 -41.24 63.35 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.494 1.118 . . . . 0.0 108.982 170.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' B' ' 37' ' ' LEU . 0.5 OUTLIER -55.93 -47.45 77.52 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.957 0.884 . . . . 0.0 109.969 168.431 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -62.94 -47.38 83.46 Favored 'General case' 0 CA--C 1.509 -0.625 0 C-N-CA 125.723 1.609 . . . . 0.0 108.83 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 85.8 m -54.65 -51.57 65.03 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 123.814 0.846 . . . . 0.0 109.273 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -62.34 -32.77 73.59 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.985 -0.447 . . . . 0.0 111.36 175.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -66.46 -29.93 70.16 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 120.596 -1.315 . . . . 0.0 110.761 173.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -69.82 -35.81 75.11 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 119.385 0.993 . . . . 0.0 109.421 174.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 24.6 mt -56.12 -46.63 79.08 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 118.519 0.599 . . . . 0.0 110.777 168.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -61.44 -45.55 93.83 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 122.162 -0.336 . . . . 0.0 111.125 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 35.3 mt -64.55 -26.7 68.53 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.666 0.787 . . . . 0.0 112.213 176.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 10.7 t -72.58 -61.67 1.72 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 119.06 0.846 . . . . 0.0 109.889 174.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 38.8 p -151.06 -28.57 0.2 Allowed 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 -167.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.72 149.86 34.51 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -159.13 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.36 168.79 16.38 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.162 1.385 . . . . 0.0 109.35 173.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' PHE . . . . . 0.466 ' CE2' HG12 ' A' ' 27' ' ' VAL . 10.3 t80 -122.25 151.84 40.65 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 172.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . 0.259 2.8 t -138.22 94.93 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.219 0 N-CA-C 105.183 -2.155 . . . . 0.0 105.183 -170.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 4.0 p -57.97 150.83 47.91 Favored Pre-proline 0 CA--C 1.536 0.438 0 C-N-CA 124.845 1.258 . . . . 0.0 110.685 -170.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.84 -24.73 73.5 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 121.737 1.625 . . . . 0.0 114.106 -170.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 20.1 t90 -57.62 -67.97 0.28 Allowed 'General case' 0 C--O 1.236 0.376 0 C-N-CA 125.423 1.489 . . . . 0.0 110.542 171.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 26.1 p -65.06 -29.77 70.68 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 118.628 0.649 . . . . 0.0 111.441 177.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.27 -37.46 87.35 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 119.606 -0.838 . . . . 0.0 111.062 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 36.0 m -72.81 -52.02 16.58 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.89 1.676 . . . . 0.0 110.618 175.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -75.28 -26.74 59.01 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.729 0.641 . . . . 0.0 112.729 -171.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 . . . . . 0 C--O 1.253 1.244 0 C-N-CA 127.645 2.378 . . . . 0.0 110.624 -167.669 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 . . . . . 0 N--CA 1.449 -0.498 0 CA-C-O 118.054 -0.974 . . . . 0.0 109.841 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -63.37 91.75 0.05 Allowed 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 120.453 1.479 . . . . 0.0 111.067 -171.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.1 m170 -127.1 161.58 28.11 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 123.339 0.656 . . . . 0.0 110.849 -166.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -137.39 97.12 3.39 Favored 'General case' 0 C--N 1.339 0.123 0 C-N-CA 125.261 1.424 . . . . 0.0 109.08 -165.402 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.6 mt -89.75 101.01 11.74 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.26 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 176.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 tt -67.6 118.74 11.3 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 120.511 -1.368 . . . . 0.0 109.257 173.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.8 t -124.03 -173.4 2.75 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 125.963 1.705 . . . . 0.0 108.294 169.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.7 m -123.4 155.26 29.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 169.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.2 t -67.59 125.8 27.32 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.8 t -58.34 -22.99 55.34 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -174.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.507 ' HE2' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -121.79 -20.92 6.26 Favored 'General case' 0 C--N 1.343 0.289 0 N-CA-C 115.224 1.565 . . . . 0.0 115.224 -173.094 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.8 p -114.71 -0.45 13.57 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.936 1.244 . . . . 0.0 113.064 173.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.5 t0 54.23 25.0 5.37 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.373 1.869 . . . . 0.0 113.162 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.77 150.38 36.07 Favored Glycine 0 C--N 1.339 0.715 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -65.39 110.37 2.62 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 124.881 1.272 . . . . 0.0 108.626 176.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.6 mt -118.58 106.0 18.76 Favored 'Isoleucine or valine' 0 C--N 1.341 0.206 0 CA-C-O 122.609 1.195 . . . . 0.0 108.5 174.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -76.21 89.5 3.1 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.151 1.38 . . . . 0.0 108.654 170.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.5 mt -69.03 91.88 0.5 Allowed 'General case' 0 C--O 1.234 0.269 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 -172.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.9 m -86.95 108.8 18.98 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 105.503 -2.036 . . . . 0.0 105.503 -174.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.8 m -125.61 123.12 63.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 104.336 -2.468 . . . . 0.0 104.336 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.461 ' HG3' HG22 ' B' ' 48' ' ' VAL . 4.7 mt-10 -83.97 94.19 8.22 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 105.14 -2.17 . . . . 0.0 105.14 174.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.58 154.11 33.64 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 122.806 0.443 . . . . 0.0 111.303 177.273 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.2 m -53.78 147.23 12.15 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.223 1.409 . . . . 0.0 110.35 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.1 -43.42 82.21 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.777 -0.577 . . . . 0.0 112.543 -170.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.45 -30.96 66.64 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -68.33 -48.89 63.68 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 125.345 1.458 . . . . 0.0 108.383 176.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.76 -41.25 73.73 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 126.949 2.099 . . . . 0.0 111.896 171.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -69.57 -46.75 65.65 Favored 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 127.09 2.156 . . . . 0.0 108.542 -177.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.0 m -55.08 -50.59 68.78 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 174.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.42 -42.99 61.87 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.097 1.359 . . . . 0.0 111.462 169.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -66.64 -31.19 71.71 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 120.532 -1.355 . . . . 0.0 110.653 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -69.66 -35.43 75.16 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 118.734 0.697 . . . . 0.0 109.779 173.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.3 mt -57.36 -44.26 84.2 Favored 'General case' 0 C--N 1.344 0.34 0 CA-C-O 118.724 -0.655 . . . . 0.0 109.543 169.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -63.73 -41.72 98.01 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 119.178 0.899 . . . . 0.0 111.609 177.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.7 mt -64.85 -24.44 67.54 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.388 0.675 . . . . 0.0 112.285 174.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.6 t -88.68 -65.28 1.03 Allowed 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 126.041 1.737 . . . . 0.0 112.37 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.11 -18.21 0.4 Allowed 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 116.426 2.009 . . . . 0.0 116.426 -158.573 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.59 145.53 24.36 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.387 1.075 . . . . 0.0 113.265 -171.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.3 p -137.17 173.27 11.87 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.923 1.689 . . . . 0.0 109.505 167.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -128.03 158.31 38.28 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 122.253 1.025 . . . . 0.0 109.835 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.507 HG11 ' HE2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -149.05 109.03 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.127 0 C-N-CA 126.247 1.819 . . . . 0.0 107.588 -167.675 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.9 p -61.22 159.87 26.74 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 123.8 0.84 . . . . 0.0 110.995 -177.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -60.42 -25.52 80.62 Favored 'Trans proline' 0 CA--C 1.536 0.624 0 C-N-CA 122.34 2.027 . . . . 0.0 113.292 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -60.39 -48.6 81.04 Favored 'General case' 0 C--N 1.342 0.241 0 O-C-N 121.933 -0.479 . . . . 0.0 110.162 170.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 80.1 m -72.58 -28.18 62.64 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 123.275 0.63 . . . . 0.0 112.471 176.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.58 -34.73 73.09 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.1 0.864 . . . . 0.0 110.85 168.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.2 m -85.72 -44.12 12.81 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.151 1.38 . . . . 0.0 112.058 -177.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 . . . . . 0 N--CA 1.473 0.691 0 C-N-CA 124.462 1.105 . . . . 0.0 113.33 -165.725 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo . . . . . 0 CA--C 1.541 0.853 0 CA-C-O 121.677 0.616 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -123.93 -73.75 0.63 Allowed 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 127.983 2.513 . . . . 0.0 107.458 -177.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.72 93.4 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 126.543 1.937 . . . . 0.0 111.134 -173.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 47.8 m170 -125.85 162.57 24.85 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 126.009 1.723 . . . . 0.0 109.123 -171.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.41 93.5 2.82 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.653 0.781 . . . . 0.0 108.954 -165.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 35.9 mt -81.76 101.88 7.06 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.266 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 176.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.8 tt -67.91 113.1 5.35 Favored 'General case' 0 N--CA 1.447 -0.603 0 O-C-N 120.971 -1.081 . . . . 0.0 108.772 172.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 44.0 m -122.91 -171.46 2.3 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.654 1.582 . . . . 0.0 109.1 172.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 31.4 m -113.76 160.67 13.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 160.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' CYS . . . . . 0.464 ' HG ' ' HG ' ' B' ' 52' ' ' CYS . 38.9 t -64.84 134.11 53.37 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 168.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 44.7 t -51.47 -37.06 46.99 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.117 1.767 . . . . 0.0 112.008 175.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.26 -25.13 3.28 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -169.324 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.9 m -85.89 -11.28 53.64 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 118.364 -0.827 . . . . 0.0 111.617 171.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 30.7 t0 41.47 48.78 3.45 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 127.231 2.212 . . . . 0.0 112.167 -178.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.63 154.22 20.32 Favored Glycine 0 C--N 1.336 0.571 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -60.47 121.0 11.02 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 126.502 1.921 . . . . 0.0 109.169 -173.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 22.8 mt -120.37 127.1 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 168.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -88.87 87.76 7.35 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 170.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 61.7 mt -68.8 97.8 0.86 Allowed 'General case' 0 C--O 1.235 0.318 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -169.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 31.5 m -86.49 100.83 12.65 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 -173.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 15.1 m -122.94 137.23 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 N-CA-C 106.094 -1.817 . . . . 0.0 106.094 178.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -89.12 107.13 18.88 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 106.035 -1.839 . . . . 0.0 106.035 174.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 64.1 m -157.86 132.05 8.17 Favored 'General case' 0 N--CA 1.443 -0.79 0 O-C-N 121.529 -0.732 . . . . 0.0 109.813 -163.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 69.1 m -62.5 149.18 43.58 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 173.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.2 -44.38 71.55 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.189 0.904 . . . . 0.0 113.027 -169.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -78.89 -20.98 48.11 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.737 0.815 . . . . 0.0 112.087 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -75.0 -42.11 58.15 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.948 1.299 . . . . 0.0 108.546 173.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.448 ' HA ' HD23 ' B' ' 37' ' ' LEU . 0.6 OUTLIER -61.18 -38.69 87.4 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 126.756 2.022 . . . . 0.0 110.972 171.327 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -66.12 -45.9 79.48 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 127.043 2.137 . . . . 0.0 108.86 175.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 60.6 m -57.8 -49.49 76.44 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 174.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -55.74 -37.45 68.49 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.562 1.145 . . . . 0.0 111.662 170.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -68.28 -30.25 69.22 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 120.156 -1.59 . . . . 0.0 109.826 177.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -71.49 -35.67 70.86 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 120.877 -1.14 . . . . 0.0 109.89 172.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 79.7 mt -61.39 -32.28 72.21 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 118.284 0.493 . . . . 0.0 110.857 169.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -64.71 -48.57 74.17 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 125.131 1.373 . . . . 0.0 110.413 173.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 53.3 mt -64.47 -29.16 70.21 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.241 1.017 . . . . 0.0 112.255 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.5 t -63.62 -77.75 0.05 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.581 1.952 . . . . 0.0 109.739 169.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 24.0 p -141.24 -26.39 0.71 Allowed 'General case' 0 C--O 1.236 0.391 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 176.164 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.93 100.23 0.11 Allowed 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 123.829 0.852 . . . . 0.0 113.108 -159.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 14.2 m -107.36 153.21 23.1 Favored 'General case' 0 N--CA 1.434 -1.248 0 N-CA-C 105.966 -1.864 . . . . 0.0 105.966 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -115.15 152.84 31.89 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 123.044 1.402 . . . . 0.0 111.24 -166.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.461 HG22 ' HG3' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -141.52 101.1 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 C-N-CA 127.619 2.367 . . . . 0.0 105.171 -157.918 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 p -62.07 161.35 24.11 Favored Pre-proline 0 CA--C 1.542 0.671 0 C-N-CA 122.782 0.433 . . . . 0.0 110.268 176.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.24 -23.78 31.38 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 122.208 1.939 . . . . 0.0 115.308 -177.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 14.6 t90 -61.3 -65.69 0.65 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.05 0.94 . . . . 0.0 110.903 172.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.464 ' HG ' ' HG ' ' B' ' 16' ' ' CYS . 0.7 OUTLIER -64.78 -20.93 66.64 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 118.447 0.567 . . . . 0.0 112.48 175.772 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.96 93.13 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 118.274 -1.37 . . . . 0.0 109.573 171.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 17.2 m -77.2 -20.81 54.84 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.554 1.541 . . . . 0.0 112.735 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -119.57 -11.7 9.41 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 120.613 1.552 . . . . 0.0 114.228 -171.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 . . . . . 0 C--O 1.247 0.934 0 C-N-CA 125.363 1.465 . . . . 0.0 109.853 -159.318 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 . . . . . 0 N--CA 1.451 -0.415 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.39 91.93 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.359 1.464 . . . . 0.0 110.807 178.054 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.0 m170 -124.44 159.01 31.45 Favored 'General case' 0 C--O 1.227 -0.106 0 C-N-CA 124.857 1.263 . . . . 0.0 109.266 -171.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -135.82 93.28 2.92 Favored 'General case' 0 N--CA 1.456 -0.148 0 O-C-N 122.153 -0.342 . . . . 0.0 110.779 -158.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.6 mt -83.71 97.18 4.6 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 174.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 tt -65.44 112.36 3.51 Favored 'General case' 0 N--CA 1.448 -0.559 0 O-C-N 120.328 -1.482 . . . . 0.0 108.577 171.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.5 t -129.88 -164.84 1.45 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.983 0.913 . . . . 0.0 110.461 177.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.7 m -122.13 154.55 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 123.915 0.886 . . . . 0.0 108.721 166.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.4 t -71.92 120.21 17.2 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 170.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 18.8 t -51.32 -36.06 40.94 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.935 0.894 . . . . 0.0 112.917 -176.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.499 ' HE2' ' HB2' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -107.69 -8.19 16.17 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -170.28 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 m -104.01 -20.98 13.68 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.968 0.907 . . . . 0.0 112.324 171.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.4 t0 42.6 48.03 4.61 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.124 1.77 . . . . 0.0 111.478 -159.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -117.59 146.97 18.78 Favored Glycine 0 C--N 1.34 0.777 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 176.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -64.32 126.44 27.78 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 126.136 1.774 . . . . 0.0 109.288 -174.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.6 mt -119.5 148.6 22.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 168.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -115.54 83.88 2.0 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 175.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.3 mt -70.01 94.7 0.89 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.153 -1.385 . . . . 0.0 109.385 -161.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.3 m -85.64 85.82 7.39 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -175.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.1 m -100.27 137.18 28.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -103.7 97.78 7.75 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 103.309 -2.849 . . . . 0.0 103.309 -167.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.8 m -156.66 132.76 9.76 Favored 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 120.525 -1.36 . . . . 0.0 111.241 -158.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.4 m -59.47 144.57 46.74 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 177.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.92 -40.24 66.55 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 -166.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -81.64 -21.89 37.91 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.841 0.829 . . . . 0.0 112.115 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -80.3 -39.89 27.88 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.741 1.616 . . . . 0.0 108.622 176.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.495 ' HA ' HD23 ' A' ' 37' ' ' LEU . 2.9 tt -56.11 -46.21 79.2 Favored 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 126.548 1.939 . . . . 0.0 110.076 164.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -62.64 -44.15 97.0 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 124.457 1.103 . . . . 0.0 109.7 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.5 m -57.08 -49.79 74.76 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 175.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.495 HD23 ' HA ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -66.69 -25.35 66.51 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.254 -0.904 . . . . 0.0 112.371 176.097 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.404 ' HA ' ' HB2' ' A' ' 41' ' ' PHE . 6.5 tt0 -68.32 -31.8 71.47 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 120.275 -1.515 . . . . 0.0 109.875 170.237 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -70.32 -33.51 71.6 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.022 -1.049 . . . . 0.0 109.695 170.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.426 ' HA ' ' HB3' ' A' ' 43' ' ' SER . 77.4 mt -64.42 -28.96 70.04 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 118.882 0.765 . . . . 0.0 112.231 169.189 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.404 ' HB2' ' HA ' ' A' ' 38' ' ' GLN . 0.2 OUTLIER -61.93 -49.34 76.53 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.436 1.494 . . . . 0.0 109.644 169.571 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.6 mt -69.24 -23.36 63.86 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.126 0.97 . . . . 0.0 112.909 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.426 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . 7.0 t -67.89 -82.73 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.746 2.018 . . . . 0.0 109.188 170.217 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.5 p -139.79 -11.12 1.16 Allowed 'General case' 0 C--N 1.344 0.337 0 N-CA-C 115.454 1.65 . . . . 0.0 115.454 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.0 tt -76.82 108.3 9.75 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -166.139 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.65 176.39 6.89 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 158.545 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.03 148.12 50.53 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 121.194 -0.941 . . . . 0.0 109.735 178.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.538 HG13 ' SG ' ' A' ' 52' ' ' CYS . 6.3 t -142.59 96.71 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 C-N-CA 126.641 1.976 . . . . 0.0 106.796 -168.313 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.9 p -53.63 148.64 17.97 Favored Pre-proline 0 CA--C 1.542 0.64 0 C-N-CA 126.052 1.741 . . . . 0.0 111.894 -174.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -61.68 -25.51 79.03 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 121.992 1.795 . . . . 0.0 113.956 -174.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 34.7 t90 -56.78 -53.74 54.36 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.147 0.979 . . . . 0.0 110.735 169.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.538 ' SG ' HG13 ' A' ' 48' ' ' VAL . 9.6 p -80.12 -18.47 49.74 Favored 'General case' 0 CA--C 1.513 -0.448 0 O-C-N 121.63 -0.669 . . . . 0.0 112.281 178.072 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.38 -38.59 87.58 Favored 'General case' 0 N--CA 1.435 -1.219 0 C-N-CA 118.835 -1.146 . . . . 0.0 109.585 169.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 19.4 m -73.01 -53.53 10.93 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.348 1.859 . . . . 0.0 111.061 175.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 -168.556 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo . . . . . 0 CA--C 1.539 0.73 0 N-CA-C 112.115 0.006 . . . . 0.0 112.115 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 16.8 mp0 -128.1 -63.42 1.01 Allowed 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.694 1.198 . . . . 0.0 109.809 177.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -57.41 90.8 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.868 1.267 . . . . 0.0 111.864 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 60.7 m170 -126.32 168.64 13.86 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 125.54 1.536 . . . . 0.0 110.402 -167.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.09 101.92 4.27 Favored 'General case' 0 C--N 1.338 0.103 0 C-N-CA 124.052 0.941 . . . . 0.0 109.666 -165.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 52.7 mt -89.65 101.1 11.79 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 172.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 tt -68.03 120.72 14.72 Favored 'General case' 0 N--CA 1.447 -0.619 0 O-C-N 120.373 -1.454 . . . . 0.0 108.891 173.302 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 4.2 t -130.1 -173.21 2.98 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 126.507 1.923 . . . . 0.0 108.942 174.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.7 m -127.17 156.77 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 123.911 0.884 . . . . 0.0 109.062 169.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 11.4 t -73.74 130.82 40.76 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 123.138 0.575 . . . . 0.0 110.45 -178.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 5.8 t -60.98 -35.64 77.34 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -174.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' LYS . . . . . 0.423 ' HB2' ' HE2' ' B' ' 18' ' ' LYS . 0.0 OUTLIER -105.85 -11.65 16.15 Favored 'General case' 0 C--N 1.342 0.247 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -167.729 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.0 p -139.17 2.89 2.13 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 18.7 t0 55.91 21.37 4.84 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.721 2.008 . . . . 0.0 114.139 177.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.15 148.04 40.38 Favored Glycine 0 C--N 1.339 0.743 0 N-CA-C 109.939 -1.264 . . . . 0.0 109.939 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -67.48 119.03 11.62 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 125.047 1.339 . . . . 0.0 108.583 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 2.4 mt -125.3 114.17 38.66 Favored 'Isoleucine or valine' 0 C--N 1.342 0.257 0 CA-C-O 121.774 0.797 . . . . 0.0 109.403 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -81.67 87.32 6.3 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 170.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 50.0 mt -68.12 98.19 0.77 Allowed 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -169.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 49.3 m -90.95 104.88 17.41 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 -172.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 9.0 m -121.32 140.54 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 105.15 -2.167 . . . . 0.0 105.15 -176.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -110.76 79.63 1.22 Allowed 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 -166.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -151.63 155.2 37.89 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-O 121.406 0.622 . . . . 0.0 111.915 -174.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.2 m -49.91 142.11 9.52 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 127.01 2.124 . . . . 0.0 110.249 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.38 -38.71 63.61 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -168.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -81.58 -25.17 36.0 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -178.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -71.74 -42.95 66.63 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.809 1.243 . . . . 0.0 108.766 172.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' B' ' 37' ' ' LEU . 0.7 OUTLIER -55.84 -46.57 78.13 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.203 1.401 . . . . 0.0 110.451 168.49 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -62.77 -47.91 81.48 Favored 'General case' 0 CA--C 1.51 -0.559 0 C-N-CA 125.395 1.478 . . . . 0.0 108.302 -177.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 41.0 m -55.74 -47.78 76.36 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -65.6 -31.13 71.99 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.826 -0.546 . . . . 0.0 112.39 175.643 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -65.65 -34.25 77.78 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 120.848 -1.158 . . . . 0.0 109.18 172.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -69.18 -32.68 72.14 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 119.425 1.011 . . . . 0.0 110.224 174.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 52.5 mt -59.68 -46.14 89.96 Favored 'General case' 0 C--N 1.343 0.324 0 CA-C-N 119.082 0.855 . . . . 0.0 110.455 168.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -60.18 -43.63 95.72 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.168 0.895 . . . . 0.0 111.646 174.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.71 -37.62 82.31 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.846 1.258 . . . . 0.0 111.208 176.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 9.2 t -70.83 -63.31 1.12 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 126.191 1.797 . . . . 0.0 111.827 176.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.99 -35.74 0.32 Allowed 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 115.151 1.538 . . . . 0.0 115.151 -158.36 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.11 158.01 21.53 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 -159.009 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.3 p -142.19 176.81 8.69 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.03 1.732 . . . . 0.0 109.795 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -137.32 155.32 49.58 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 120.456 -1.403 . . . . 0.0 108.693 176.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . 0.272 1.8 t -137.47 100.23 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 C-N-CA 125.702 1.601 . . . . 0.0 106.872 -174.322 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 p -57.47 146.24 64.88 Favored Pre-proline 0 N--CA 1.47 0.543 0 C-N-CA 124.674 1.19 . . . . 0.0 110.723 -169.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -57.88 -30.3 89.13 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 121.915 1.743 . . . . 0.0 113.825 -172.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 19.0 t90 -56.24 -63.0 1.33 Allowed 'General case' 0 C--O 1.235 0.301 0 C-N-CA 124.513 1.125 . . . . 0.0 110.268 171.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 1.3 p -69.14 -28.21 66.23 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-O 119.59 -0.243 . . . . 0.0 110.539 -177.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.69 -37.76 88.55 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 117.996 0.362 . . . . 0.0 110.489 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 30.4 m -74.74 -49.58 20.51 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.012 1.725 . . . . 0.0 110.682 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -71.43 -25.69 62.42 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.111 0.564 . . . . 0.0 112.257 -176.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 . . . . . 0 C--O 1.252 1.188 0 C-N-CA 127.631 2.372 . . . . 0.0 111.002 -173.106 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 . . . . . 0 CA--C 1.532 0.278 0 CA-C-O 117.676 -1.154 . . . . 0.0 111.518 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.9 89.94 0.06 Allowed 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 120.752 1.614 . . . . 0.0 111.129 -173.026 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -123.99 164.88 18.44 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 123.781 0.832 . . . . 0.0 110.618 -166.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.1 100.74 4.23 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 124.502 1.121 . . . . 0.0 109.204 -164.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.2 mt -85.59 95.8 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 171.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.8 tt -63.64 115.72 5.0 Favored 'General case' 0 N--CA 1.445 -0.675 0 O-C-N 121.015 -1.053 . . . . 0.0 108.225 169.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.0 t -124.25 -169.69 2.01 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 124.505 1.122 . . . . 0.0 109.09 171.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.8 m -119.46 161.19 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 164.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.2 t -67.12 127.96 34.57 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 173.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.2 t -48.65 -35.82 14.59 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.538 1.935 . . . . 0.0 112.394 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.66 -7.45 10.08 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -172.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -115.62 -12.63 11.56 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.32 1.048 . . . . 0.0 113.566 177.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.9 t0 54.72 20.8 3.15 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.968 1.707 . . . . 0.0 113.248 -173.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.41 147.28 20.62 Favored Glycine 0 C--N 1.341 0.851 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 -178.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -64.75 122.4 16.8 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 125.093 1.357 . . . . 0.0 109.095 -175.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.5 mt -128.26 130.49 69.45 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.174 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 173.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -97.54 85.61 3.65 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 123.974 0.91 . . . . 0.0 108.743 175.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.5 mt -71.34 100.12 2.09 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.044 -166.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.1 m -90.97 113.21 25.39 Favored 'General case' 0 N--CA 1.436 -1.151 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 -172.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.4 m -121.68 121.66 64.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 N-CA-C 103.513 -2.773 . . . . 0.0 103.513 178.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.457 ' HG3' ' CG2' ' B' ' 48' ' ' VAL . 7.0 mt-10 -81.37 100.75 9.41 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 104.684 -2.339 . . . . 0.0 104.684 170.183 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -158.16 155.57 29.33 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 122.804 0.442 . . . . 0.0 109.834 173.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.5 m -54.84 145.67 19.24 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.984 0.914 . . . . 0.0 110.142 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.51 -39.33 64.53 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -168.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -92.67 -15.36 26.85 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -173.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -63.5 -46.15 87.43 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 159.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.65 -36.06 79.73 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.816 1.647 . . . . 0.0 112.416 174.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -72.06 -44.38 63.42 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 127.276 2.23 . . . . 0.0 109.78 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.7 m -56.28 -47.13 79.21 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 172.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.7 -37.94 74.36 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.324 1.45 . . . . 0.0 112.371 170.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -62.94 -34.36 77.31 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 119.943 -1.723 . . . . 0.0 110.609 173.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -69.7 -32.3 70.82 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 121.646 -0.659 . . . . 0.0 109.746 173.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.8 mt -64.88 -31.2 72.32 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 118.639 0.654 . . . . 0.0 112.612 169.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -64.73 -49.4 70.98 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.952 1.251 . . . . 0.0 110.175 167.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.9 mt -62.48 -26.13 68.37 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.067 0.547 . . . . 0.0 112.373 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.8 t -67.19 -81.78 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.939 2.496 . . . . 0.0 109.882 167.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.7 p -138.74 -19.81 1.03 Allowed 'General case' 0 C--N 1.346 0.434 0 N-CA-C 116.228 1.936 . . . . 0.0 116.228 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 tt -71.23 144.37 50.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 122.35 1.071 . . . . 0.0 113.464 -161.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.9 m -152.69 166.46 32.09 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 124.734 1.213 . . . . 0.0 107.827 158.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -109.8 160.38 16.39 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.981 0.896 . . . . 0.0 109.594 -167.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.494 ' CG2' ' HG3' ' B' ' 28' ' ' GLU . 2.3 t -138.89 90.76 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 N-CA-C 103.496 -2.779 . . . . 0.0 103.496 -158.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.9 p -53.59 149.9 14.39 Favored Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 115.078 -0.964 . . . . 0.0 109.293 -176.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -55.91 -30.41 77.27 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 121.817 1.678 . . . . 0.0 113.569 -173.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -55.63 -61.23 2.49 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.954 0.902 . . . . 0.0 110.965 168.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.459 ' SG ' ' CG1' ' A' ' 48' ' ' VAL . 0.5 OUTLIER -67.08 -30.25 70.24 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-O 118.988 -0.53 . . . . 0.0 111.692 -177.751 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.66 -36.6 84.79 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 118.313 0.506 . . . . 0.0 110.455 175.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.3 m -76.85 -45.03 29.92 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.152 0.981 . . . . 0.0 111.418 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.473 0.721 0 C-N-CA 123.699 0.8 . . . . 0.0 112.0 -174.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo . . . . . 0 CA--C 1.537 0.636 0 CA-C-O 121.508 0.545 . . . . 0.0 111.941 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -128.23 -52.26 1.3 Allowed 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 126.043 1.737 . . . . 0.0 109.21 172.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.47 91.88 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.561 1.145 . . . . 0.0 110.779 -178.147 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 50.7 m170 -126.8 166.95 16.48 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 123.805 0.842 . . . . 0.0 111.256 -168.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.36 105.7 5.52 Favored 'General case' 0 C--N 1.341 0.23 0 C-N-CA 124.967 1.307 . . . . 0.0 109.363 -170.3 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 72.8 mt -89.43 97.09 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 170.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 tt -64.13 114.84 4.44 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 120.971 -1.081 . . . . 0.0 108.4 168.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 2.8 t -123.03 -169.54 1.95 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.693 1.197 . . . . 0.0 109.134 170.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.3 m -118.24 162.51 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 164.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 27.1 t -66.34 127.76 33.49 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 170.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 43.5 t -47.98 -36.8 13.27 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.607 1.963 . . . . 0.0 112.345 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.59 -9.06 9.87 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -172.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -113.62 -11.15 13.04 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.905 0.882 . . . . 0.0 113.033 178.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 t0 53.81 21.55 2.79 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.165 1.786 . . . . 0.0 113.285 -174.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.34 146.91 19.25 Favored Glycine 0 C--N 1.34 0.794 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -177.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -65.12 121.64 15.2 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 125.34 1.456 . . . . 0.0 109.304 -175.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 8.5 mt -127.12 126.1 67.48 Favored 'Isoleucine or valine' 0 C--N 1.34 0.174 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 174.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -93.75 85.91 4.97 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 124.059 0.944 . . . . 0.0 108.824 175.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.3 mt -71.17 98.23 1.66 Allowed 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.063 -167.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 24.0 m -86.14 112.24 21.12 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 -175.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 m -122.76 120.16 60.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 103.301 -2.852 . . . . 0.0 103.301 178.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.494 ' HG3' ' CG2' ' A' ' 48' ' ' VAL . 5.9 mt-10 -83.65 99.37 10.16 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 104.526 -2.398 . . . . 0.0 104.526 172.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -157.69 155.53 30.14 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 123.038 0.535 . . . . 0.0 109.737 174.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.0 m -55.88 147.19 19.89 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.108 0.963 . . . . 0.0 110.133 -178.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.29 -40.83 65.02 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -168.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -92.41 -14.9 27.92 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -173.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -63.86 -45.89 87.46 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 160.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.25 -38.65 84.13 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.615 1.566 . . . . 0.0 111.919 174.277 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -70.84 -44.56 66.2 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 127.463 2.305 . . . . 0.0 109.734 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 29.5 m -57.0 -46.7 82.1 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 173.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.11 -37.87 75.39 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.327 1.451 . . . . 0.0 112.296 171.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -62.86 -34.98 78.49 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 120.101 -1.625 . . . . 0.0 110.137 173.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -70.26 -31.16 68.41 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.589 -0.694 . . . . 0.0 110.019 173.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 73.3 mt -65.95 -30.4 70.96 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 118.847 0.748 . . . . 0.0 112.398 170.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -64.26 -49.41 71.98 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.96 1.255 . . . . 0.0 109.914 167.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 70.8 mt -63.26 -27.15 69.15 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 5.2 t -64.31 -78.77 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 127.673 2.389 . . . . 0.0 109.678 167.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 40.4 p -143.22 -22.6 0.62 Allowed 'General case' 0 C--N 1.343 0.298 0 N-CA-C 115.931 1.826 . . . . 0.0 115.931 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 tt -69.81 145.13 52.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 122.24 1.019 . . . . 0.0 113.197 -161.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.8 m -152.23 164.91 36.41 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 158.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -105.54 160.7 14.96 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 122.177 0.989 . . . . 0.0 109.585 -168.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.457 ' CG2' ' HG3' ' A' ' 28' ' ' GLU . 2.6 t -138.83 90.82 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 N-CA-C 103.238 -2.875 . . . . 0.0 103.238 -158.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 p -53.08 148.29 14.95 Favored Pre-proline 0 CA--C 1.533 0.327 0 CA-C-N 114.957 -1.02 . . . . 0.0 108.962 -176.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -55.66 -28.84 67.91 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 122.239 1.959 . . . . 0.0 113.905 -170.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 21.4 t90 -54.41 -65.57 0.55 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.373 1.469 . . . . 0.0 110.711 166.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.448 ' SG ' ' CG1' ' B' ' 48' ' ' VAL . 0.5 OUTLIER -67.91 -26.74 66.13 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-N 118.801 0.728 . . . . 0.0 112.302 -178.925 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.37 -49.06 79.27 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 121.201 -0.937 . . . . 0.0 109.207 174.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 19.9 m -70.84 -51.42 26.68 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.729 1.612 . . . . 0.0 111.382 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -88.78 -12.19 42.79 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.07 0.948 . . . . 0.0 112.948 -167.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.766 2.026 . . . . 0.0 110.097 -167.123 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.3 mp0 . . . . . 0 N--CA 1.45 -0.463 0 CA-C-O 117.762 -1.113 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.51 93.47 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 120.524 1.511 . . . . 0.0 110.496 -175.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 44.0 m170 -127.1 166.37 17.77 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 118.53 0.605 . . . . 0.0 110.325 -169.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.1 mtpt -141.95 94.67 2.7 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.165 0.986 . . . . 0.0 109.304 -161.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.4 mt -83.74 94.4 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 172.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt -65.19 109.25 2.14 Favored 'General case' 0 N--CA 1.446 -0.636 0 O-C-N 120.652 -1.28 . . . . 0.0 108.546 166.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.7 t -117.42 -171.82 2.11 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.165 0.986 . . . . 0.0 109.235 171.108 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.8 m -120.81 155.01 24.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 124.157 0.983 . . . . 0.0 108.989 172.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.456 ' SG ' ' HA ' ' A' ' 48' ' ' VAL . 26.1 t -73.04 131.77 42.54 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.143 -177.598 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.5 t -61.44 -34.53 75.58 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.413 0.685 . . . . 0.0 112.09 -173.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.15 -17.0 15.07 Favored 'General case' 0 C--N 1.346 0.424 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -173.062 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.3 p -134.75 3.61 3.26 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -175.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.5 t0 57.06 15.07 2.21 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.892 2.077 . . . . 0.0 114.096 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.08 147.66 39.89 Favored Glycine 0 C--N 1.339 0.723 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 -177.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -63.23 116.28 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 125.369 1.467 . . . . 0.0 109.243 178.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.4 mt -118.81 112.32 37.4 Favored 'Isoleucine or valine' 0 C--N 1.341 0.208 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 175.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -84.45 85.1 7.44 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.859 1.263 . . . . 0.0 109.185 174.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.3 mt -73.07 94.65 1.93 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.445 -0.798 . . . . 0.0 108.892 -171.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.1 m -80.86 109.29 15.28 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 177.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.5 m -124.41 117.86 51.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 N-CA-C 103.951 -2.611 . . . . 0.0 103.951 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.56 ' HG3' ' CG2' ' B' ' 48' ' ' VAL . 5.5 mt-10 -86.2 102.97 14.39 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 178.379 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.566 ' HB2' HD12 ' B' ' 45' ' ' LEU . 1.5 t -163.82 157.5 18.95 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 123.851 0.86 . . . . 0.0 110.083 174.19 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.1 m -52.35 143.76 14.37 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.814 1.246 . . . . 0.0 110.542 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.44 -41.05 68.95 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -170.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -71.67 -32.47 67.92 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.855 0.862 . . . . 0.0 112.688 -178.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -67.89 -46.81 70.6 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.533 1.133 . . . . 0.0 108.673 174.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.79 -40.41 72.66 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 125.305 1.442 . . . . 0.0 111.88 172.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -73.49 -43.45 60.09 Favored 'General case' 0 CA--C 1.506 -0.717 0 C-N-CA 126.847 2.059 . . . . 0.0 109.351 -176.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 46.0 m -53.91 -51.86 62.38 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 170.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.56 -39.3 64.65 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.13 1.372 . . . . 0.0 111.936 170.402 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -67.76 -28.84 67.96 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 120.148 -1.595 . . . . 0.0 111.213 176.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -70.58 -35.61 73.14 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 119.064 0.847 . . . . 0.0 109.487 172.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.96 -37.71 83.35 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.572 0.624 . . . . 0.0 110.881 171.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -60.5 -53.5 56.81 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 118.698 0.681 . . . . 0.0 110.216 170.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.6 mt -62.55 -25.95 68.32 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.558 0.743 . . . . 0.0 112.282 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.5 t -72.82 -69.71 0.4 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 126.641 1.976 . . . . 0.0 110.236 173.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.8 p -145.22 -29.97 0.43 Allowed 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 114.511 1.301 . . . . 0.0 114.511 -172.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.6 tt -70.52 149.22 47.39 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 122.815 1.293 . . . . 0.0 111.54 -163.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 62.9 m -142.8 171.08 14.54 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 159.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -111.06 157.14 20.31 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 178.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.456 ' HA ' ' SG ' ' A' ' 16' ' ' CYS 0.332 0.4 OUTLIER -135.2 106.8 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.966 0 N-CA-C 107.316 -1.365 . . . . 0.0 107.316 177.947 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 p -57.38 146.51 62.89 Favored Pre-proline 0 C--N 1.344 0.339 0 C-N-CA 125.843 1.657 . . . . 0.0 110.691 -165.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -60.98 -29.71 88.49 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.121 1.88 . . . . 0.0 112.743 -172.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -54.05 -67.09 0.29 Allowed 'General case' 0 C--O 1.235 0.292 0 C-N-CA 124.534 1.134 . . . . 0.0 109.546 169.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.9 p -66.53 -29.78 69.95 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 118.888 -0.577 . . . . 0.0 110.732 -175.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.97 -33.21 74.21 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 118.585 0.63 . . . . 0.0 110.444 -179.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.4 m -77.43 -43.06 33.78 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.921 1.289 . . . . 0.0 111.002 175.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 m120 . . . . . 0 N--CA 1.476 0.856 0 CA-C-N 118.668 0.667 . . . . 0.0 111.461 177.874 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo . . . . . 0 CA--C 1.542 0.924 0 N-CA-C 110.342 -0.676 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -127.91 -62.76 1.05 Allowed 'General case' 0 C--N 1.344 0.355 0 CA-C-O 117.195 -1.384 . . . . 0.0 110.303 -178.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.96 96.32 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.646 1.566 . . . . 0.0 112.043 176.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 43.3 m170 -128.33 170.21 13.34 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.39 1.076 . . . . 0.0 110.237 -173.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -137.52 97.12 3.38 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 124.836 1.255 . . . . 0.0 108.785 -166.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 50.1 mt -83.68 98.51 5.48 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.197 0 N-CA-C 105.858 -1.904 . . . . 0.0 105.858 170.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.13 109.78 1.95 Allowed 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 166.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 6.2 t -114.45 -171.59 1.95 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.297 1.439 . . . . 0.0 108.162 170.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 21.5 m -122.09 158.35 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 166.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 22.0 t -68.69 125.98 28.27 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 174.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 31.8 t -46.79 -38.0 9.46 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.372 1.869 . . . . 0.0 112.484 178.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.16 -8.06 10.21 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 -170.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' CYS . . . . . 0.425 ' SG ' ' HB3' ' B' ' 52' ' ' CYS . 0.9 OUTLIER -112.41 -13.21 13.43 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.454 1.102 . . . . 0.0 113.117 175.602 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 23.0 t0 50.15 27.83 2.76 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.796 2.038 . . . . 0.0 113.1 -172.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.34 147.97 18.82 Favored Glycine 0 C--N 1.34 0.776 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -62.54 120.16 10.6 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 125.944 1.698 . . . . 0.0 109.312 -176.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 8.1 mt -122.33 118.72 56.23 Favored 'Isoleucine or valine' 0 C--N 1.341 0.197 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 172.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -82.82 88.61 6.77 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 124.789 1.236 . . . . 0.0 109.021 171.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.9 mt -72.61 99.72 2.61 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -174.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 11.5 m -82.48 97.76 8.57 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 2.5 m -116.58 130.05 72.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 N-CA-C 103.847 -2.649 . . . . 0.0 103.847 -177.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -105.9 102.13 11.59 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 -171.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.7 t -166.45 160.78 15.8 Favored 'General case' 0 C--N 1.341 0.211 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 177.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 16.6 m -52.33 143.66 14.49 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.321 1.049 . . . . 0.0 110.428 176.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.14 -42.15 69.23 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -169.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.75 -30.58 68.2 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -178.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -71.0 -46.53 62.1 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.465 1.106 . . . . 0.0 108.56 176.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.2 -36.54 66.05 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 126.312 1.845 . . . . 0.0 112.192 170.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -80.2 -39.9 28.24 Favored 'General case' 0 CA--C 1.508 -0.66 0 C-N-CA 127.285 2.234 . . . . 0.0 109.985 -175.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 49.2 m -55.25 -51.41 66.71 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 168.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tp -54.75 -35.62 63.94 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.442 1.497 . . . . 0.0 112.153 169.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -68.2 -31.35 70.8 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 119.892 -1.755 . . . . 0.0 111.298 174.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -69.82 -35.25 74.63 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 119.026 0.83 . . . . 0.0 109.235 173.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 42.7 mt -60.77 -38.33 84.9 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 118.848 -0.596 . . . . 0.0 110.787 169.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -62.94 -46.31 88.36 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.096 0.862 . . . . 0.0 110.72 173.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 68.8 mt -66.08 -23.96 66.62 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.334 0.654 . . . . 0.0 112.23 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 28.9 t -76.81 -71.55 0.39 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.14 1.776 . . . . 0.0 110.687 174.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 42.0 p -147.44 -32.28 0.29 Allowed 'General case' 0 C--O 1.235 0.319 0 C-N-CA 125.01 1.324 . . . . 0.0 113.607 -174.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.566 HD12 ' HB2' ' A' ' 29' ' ' SER . 28.7 tp -57.56 131.99 51.85 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.63 0.772 . . . . 0.0 109.6 -168.318 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.8 m -138.53 154.21 48.76 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 176.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -114.6 156.08 25.35 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.789 0.804 . . . . 0.0 109.346 -172.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.56 ' CG2' ' HG3' ' A' ' 28' ' ' GLU . 2.1 t -141.19 90.01 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 N-CA-C 102.793 -3.04 . . . . 0.0 102.793 -158.706 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 1.1 p -51.43 147.16 10.99 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 114.791 -1.095 . . . . 0.0 108.795 -175.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -56.76 -28.03 74.21 Favored 'Trans proline' 0 C--N 1.351 0.659 0 CA-C-N 120.74 1.3 . . . . 0.0 112.92 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -55.93 -59.61 4.65 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.379 1.072 . . . . 0.0 111.57 167.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.442 ' SG ' ' CG1' ' B' ' 48' ' ' VAL . 0.8 OUTLIER -66.59 -32.59 74.02 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 118.567 0.621 . . . . 0.0 111.434 -178.589 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.57 -40.8 98.03 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 117.653 0.206 . . . . 0.0 110.536 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 26.4 m -77.95 -52.09 9.36 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.109 1.364 . . . . 0.0 111.267 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.06 -49.05 25.82 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.62 0.768 . . . . 0.0 110.557 -174.522 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.254 1.329 0 C-N-CA 127.685 2.394 . . . . 0.0 111.751 -172.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 . . . . . 0 N--CA 1.448 -0.575 0 N-CA-C 107.192 -1.411 . . . . 0.0 107.192 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.47 96.8 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 125.853 1.661 . . . . 0.0 110.259 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 45.5 m170 -123.14 156.45 35.0 Favored 'General case' 0 CA--C 1.523 -0.081 0 C-N-CA 123.987 0.915 . . . . 0.0 109.974 -174.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -131.21 88.93 2.65 Favored 'General case' 0 N--CA 1.457 -0.097 0 C-N-CA 124.458 1.103 . . . . 0.0 108.648 -163.066 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.0 mt -83.54 100.23 6.88 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 176.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tt -68.26 114.77 7.01 Favored 'General case' 0 N--CA 1.447 -0.604 0 O-C-N 120.779 -1.201 . . . . 0.0 108.844 174.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.4 t -131.04 -166.56 1.72 Allowed 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.868 1.667 . . . . 0.0 108.584 175.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.4 m -121.24 154.81 25.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 167.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.429 ' HG ' ' HG ' ' A' ' 52' ' ' CYS . 19.3 t -69.97 126.81 30.8 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 171.066 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.1 t -51.62 -31.57 25.72 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.611 1.164 . . . . 0.0 113.025 -178.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.412 ' HE2' ' OE2' ' B' ' 28' ' ' GLU . 1.2 ptpm? -125.97 -2.74 7.1 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 125.119 1.368 . . . . 0.0 113.991 -162.179 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 m -108.68 -17.74 13.88 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.372 1.069 . . . . 0.0 112.061 165.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.0 t0 38.94 57.92 1.84 Allowed 'General case' 0 C--N 1.344 0.344 0 C-N-CA 126.114 1.766 . . . . 0.0 111.474 -160.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.3 149.71 19.29 Favored Glycine 0 C--N 1.338 0.658 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -61.81 115.57 4.11 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 127.062 2.145 . . . . 0.0 109.374 -173.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.4 mt -112.43 118.21 57.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 167.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -78.02 86.75 4.19 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 162.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.6 mt -65.03 96.67 0.2 Allowed 'General case' 0 C--N 1.344 0.346 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 -170.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.2 m -88.13 95.87 10.31 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 -177.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.0 m -113.47 143.43 23.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 N-CA-C 105.012 -2.218 . . . . 0.0 105.012 177.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -107.72 88.71 2.8 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 103.093 -2.928 . . . . 0.0 103.093 -169.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.3 m -151.21 128.3 11.13 Favored 'General case' 0 N--CA 1.443 -0.804 0 O-C-N 120.327 -1.483 . . . . 0.0 111.249 -158.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.0 m -60.72 140.36 57.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 118.027 -0.987 . . . . 0.0 108.631 -174.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.67 -37.67 29.53 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -162.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -97.53 -17.12 19.77 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 122.538 1.161 . . . . 0.0 113.645 -175.011 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -70.95 -39.24 72.71 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 124.573 1.149 . . . . 0.0 108.419 163.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.509 ' HA ' HD23 ' A' ' 37' ' ' LEU . 4.6 tt -64.05 -42.08 97.15 Favored 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 125.617 1.567 . . . . 0.0 110.697 172.109 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -58.68 -45.52 89.27 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 126.158 1.783 . . . . 0.0 109.567 172.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 33.4 m -57.5 -50.18 73.89 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -54.82 -36.78 65.35 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.265 1.026 . . . . 0.0 111.787 170.306 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -68.64 -30.0 68.61 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 120.286 -1.508 . . . . 0.0 110.492 177.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -69.88 -35.45 74.67 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 121.488 -0.758 . . . . 0.0 109.638 171.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.413 ' HA ' ' HB3' ' A' ' 43' ' ' SER . 71.4 mt -64.24 -27.91 69.37 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 118.648 0.658 . . . . 0.0 112.057 169.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -65.04 -47.9 75.76 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.834 1.254 . . . . 0.0 110.39 169.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 78.8 mt -67.76 -25.81 65.8 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.9 0.88 . . . . 0.0 112.859 176.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.413 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . 6.4 t -65.65 -81.96 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.822 2.049 . . . . 0.0 109.233 170.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.2 p -139.07 -14.88 1.15 Allowed 'General case' 0 C--N 1.345 0.38 0 N-CA-C 116.319 1.97 . . . . 0.0 116.319 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.2 tt -71.81 105.41 3.77 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -166.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.1 p -90.32 173.17 8.27 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 158.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -126.82 149.9 49.46 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 122.046 0.927 . . . . 0.0 111.18 -176.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.8 t -143.5 91.33 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 C-N-CA 128.176 2.591 . . . . 0.0 107.61 -162.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.2 p -58.19 157.58 16.47 Favored Pre-proline 0 CA--C 1.544 0.713 0 C-N-CA 125.237 1.415 . . . . 0.0 112.02 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.419 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 12.5 Cg_endo -56.6 -27.48 69.94 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 122.116 1.878 . . . . 0.0 115.597 -173.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -58.82 -67.09 0.4 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.775 1.23 . . . . 0.0 110.12 174.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.429 ' HG ' ' HG ' ' A' ' 16' ' ' CYS . 19.1 p -66.52 -25.25 66.58 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-O 118.645 -0.693 . . . . 0.0 111.996 177.05 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.419 ' HB3' ' HA ' ' A' ' 50' ' ' PRO . . . -62.77 -33.52 75.33 Favored 'General case' 0 N--CA 1.438 -1.071 0 C-N-CA 118.698 -1.201 . . . . 0.0 110.247 175.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.7 m -76.88 -48.57 17.92 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.469 1.508 . . . . 0.0 110.81 173.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 m120 . . . . . 0 N--CA 1.475 0.821 0 CA-C-O 118.429 -0.795 . . . . 0.0 112.642 -171.857 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 CA--C 1.54 0.81 0 CA-C-O 120.866 0.277 . . . . 0.0 112.644 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 -128.1 -56.33 1.26 Allowed 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 125.307 1.443 . . . . 0.0 109.589 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.7 89.73 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.844 1.657 . . . . 0.0 111.609 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 57.8 m170 -127.53 167.88 15.7 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.463 1.505 . . . . 0.0 110.062 -168.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.79 96.76 3.13 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 123.868 0.867 . . . . 0.0 109.482 -161.387 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 38.4 mt -88.13 99.57 9.07 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 173.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 tt -66.41 118.31 9.88 Favored 'General case' 0 N--CA 1.447 -0.595 0 O-C-N 120.651 -1.281 . . . . 0.0 108.698 171.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 t -126.64 -173.7 2.94 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 126.138 1.775 . . . . 0.0 108.348 171.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 15.3 m -125.39 154.76 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 169.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 12.7 t -72.01 131.58 43.09 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.146 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 7.5 t -59.45 -39.01 82.22 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -173.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.98 -15.13 18.4 Favored 'General case' 0 C--N 1.342 0.263 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -168.678 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 27.2 p -137.25 2.48 2.52 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -173.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 20.3 t0 55.14 20.37 3.31 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.606 1.963 . . . . 0.0 113.916 178.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.6 146.11 38.21 Favored Glycine 0 C--N 1.34 0.75 0 N-CA-C 109.624 -1.391 . . . . 0.0 109.624 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -66.23 116.65 7.51 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 124.968 1.307 . . . . 0.0 108.558 178.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 3.1 mt -122.42 111.26 29.6 Favored 'Isoleucine or valine' 0 C--N 1.341 0.22 0 CA-C-N 118.819 0.736 . . . . 0.0 109.113 176.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -77.86 87.04 4.08 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 167.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 48.9 mt -66.54 96.31 0.37 Allowed 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 -173.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 38.9 m -88.98 101.72 14.36 Favored 'General case' 0 N--CA 1.438 -1.058 0 N-CA-C 106.566 -1.642 . . . . 0.0 106.566 -174.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 7.6 m -120.69 140.85 43.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 105.021 -2.214 . . . . 0.0 105.021 -176.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.412 ' OE2' ' HE2' ' A' ' 18' ' ' LYS . 4.1 tt0 -112.23 80.25 1.31 Allowed 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 104.931 -2.248 . . . . 0.0 104.931 -160.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -152.19 155.69 38.29 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.343 0.592 . . . . 0.0 111.537 -173.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.0 m -52.42 143.54 15.06 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.364 1.865 . . . . 0.0 109.935 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.61 -36.03 61.55 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -165.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.64 -16.06 23.48 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -176.06 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.51 -42.62 82.52 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 123.86 0.864 . . . . 0.0 108.721 162.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.446 ' HA ' HD23 ' B' ' 37' ' ' LEU . 0.7 OUTLIER -60.4 -45.22 94.36 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.513 1.125 . . . . 0.0 110.42 172.628 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -60.69 -48.12 83.21 Favored 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 126.296 1.839 . . . . 0.0 108.463 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 36.0 m -56.92 -47.26 81.01 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -67.49 -28.74 68.1 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.782 0.719 . . . . 0.0 112.602 176.121 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -65.13 -35.62 81.67 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.087 -1.008 . . . . 0.0 108.953 171.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -67.8 -36.37 80.31 Favored 'General case' 0 C--N 1.343 0.307 0 CA-C-N 119.203 0.91 . . . . 0.0 109.983 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 60.1 mt -57.95 -44.96 87.28 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.823 0.738 . . . . 0.0 110.354 169.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -62.57 -42.74 99.74 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.104 0.865 . . . . 0.0 111.153 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 45.1 mt -64.94 -30.05 71.02 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.557 0.743 . . . . 0.0 112.1 176.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 22.0 t -79.5 -56.14 4.54 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.865 1.266 . . . . 0.0 111.572 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.9 p -149.48 -30.64 0.23 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.652 1.581 . . . . 0.0 115.265 -158.455 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 tp -93.68 155.86 17.02 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -158.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.8 p -140.91 176.5 8.75 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.77 1.628 . . . . 0.0 110.176 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -137.46 155.46 49.29 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 120.817 -1.177 . . . . 0.0 109.101 178.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . 0.256 1.5 t -139.46 103.31 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.828 0 C-N-CA 125.606 1.563 . . . . 0.0 107.543 -174.625 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 p -60.11 147.23 81.17 Favored Pre-proline 0 N--CA 1.47 0.563 0 C-N-CA 125.311 1.444 . . . . 0.0 110.538 -172.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -59.75 -30.93 93.24 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.386 2.058 . . . . 0.0 113.88 -171.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 20.2 t90 -58.79 -59.74 4.95 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 123.85 0.86 . . . . 0.0 109.875 173.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.94 -29.41 67.64 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 119.126 -0.464 . . . . 0.0 110.681 -178.197 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.34 -33.53 76.19 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 123.196 0.599 . . . . 0.0 111.075 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 39.5 m -73.92 -47.05 40.49 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.379 1.471 . . . . 0.0 110.331 174.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -70.16 -44.89 67.89 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.21 0.604 . . . . 0.0 111.898 -175.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.254 1.313 0 C-N-CA 129.854 3.262 . . . . 0.0 114.081 173.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . 0.253 1.0 OUTLIER . . . . . 0 N--CA 1.438 -1.041 0 CA-C-O 117.982 -1.008 . . . . 0.0 109.412 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.06 87.92 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 126.638 1.975 . . . . 0.0 112.633 -174.142 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -121.73 162.05 21.5 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.464 1.105 . . . . 0.0 109.79 -173.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.63 96.22 3.3 Favored 'General case' 0 CA--C 1.523 -0.075 0 C-N-CA 123.48 0.712 . . . . 0.0 109.802 -161.341 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.4 mt -87.51 101.36 11.28 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.253 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 174.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 tt -65.55 115.22 5.53 Favored 'General case' 0 N--CA 1.447 -0.599 0 O-C-N 120.811 -1.181 . . . . 0.0 108.392 171.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.5 t -133.58 -166.37 1.77 Allowed 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 126.393 1.877 . . . . 0.0 108.228 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.3 m -118.73 157.72 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 166.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.1 t -65.33 130.73 44.37 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 167.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 18.0 t -49.73 -36.01 24.11 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.289 1.436 . . . . 0.0 112.545 -178.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.37 -16.09 7.95 Favored 'General case' 0 C--N 1.343 0.291 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 -172.35 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 m -92.12 -17.62 24.69 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 119.375 0.989 . . . . 0.0 112.057 170.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.1 t0 49.13 34.55 6.02 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.443 1.497 . . . . 0.0 111.815 -169.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -106.96 147.34 16.19 Favored Glycine 0 C--N 1.34 0.788 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 -178.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -59.53 112.8 1.92 Allowed 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 126.371 1.868 . . . . 0.0 108.827 -174.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.9 mt -113.18 122.84 68.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 167.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -79.74 86.7 5.3 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 107.653 -1.239 . . . . 0.0 107.653 162.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.1 mt -64.08 95.95 0.13 Allowed 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.573 1.149 . . . . 0.0 108.034 -170.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 56.8 m -89.63 87.39 7.0 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 -172.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.7 m -106.31 145.07 14.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 104.949 -2.241 . . . . 0.0 104.949 -179.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . 0.269 1.7 tt0 -111.76 103.84 12.13 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 101.458 -3.534 . . . . 0.0 101.458 -169.052 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . 0.284 31.7 m -157.68 142.15 16.32 Favored 'General case' 0 C--O 1.221 -0.424 0 O-C-N 118.796 -2.44 . . . . 0.0 110.397 -158.041 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.3 m -67.68 147.16 53.05 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 121.131 1.787 . . . . 0.0 107.105 173.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.34 -32.51 64.76 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 -163.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -101.45 -16.54 16.81 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -177.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -65.81 -41.41 91.91 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 161.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.428 ' HA ' HD23 ' A' ' 37' ' ' LEU . 5.9 tt -61.26 -51.68 67.91 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 125.906 1.683 . . . . 0.0 110.781 172.281 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -52.17 -48.54 64.91 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 125.721 1.608 . . . . 0.0 108.654 177.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.7 m -57.54 -50.96 71.37 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 178.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -50.83 -41.37 57.56 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.552 1.141 . . . . 0.0 111.409 171.644 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -70.73 -31.55 68.42 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.262 1.425 . . . . 0.0 109.83 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -69.51 -33.85 73.42 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 119.388 0.994 . . . . 0.0 109.86 172.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.29 -49.62 76.49 Favored 'General case' 0 C--N 1.343 0.31 0 CA-C-N 118.732 0.696 . . . . 0.0 109.954 167.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -58.49 -42.21 87.09 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.472 0.578 . . . . 0.0 111.622 177.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.1 tt -61.05 -35.75 77.73 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.63 1.172 . . . . 0.0 111.639 174.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.4 t -85.52 -55.88 3.79 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.417 1.087 . . . . 0.0 112.479 -174.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.0 p -141.26 -19.06 0.79 Allowed 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.103 1.761 . . . . 0.0 115.605 -158.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mp -115.92 164.12 14.87 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 115.902 1.816 . . . . 0.0 115.902 -158.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.1 m -159.32 174.25 15.04 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.009 1.324 . . . . 0.0 110.496 171.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.21 152.71 35.16 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 125.194 1.398 . . . . 0.0 108.718 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 8.6 t -136.11 100.34 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.045 0 C-N-CA 127.692 2.397 . . . . 0.0 105.832 -171.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.3 p -58.76 156.62 23.56 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 125.346 1.458 . . . . 0.0 111.656 -170.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.434 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 19.1 Cg_endo -58.36 -27.15 80.33 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.555 2.17 . . . . 0.0 114.361 -173.38 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 16.6 t90 -59.41 -66.77 0.46 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.335 1.054 . . . . 0.0 110.315 173.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 18.8 p -65.01 -27.89 69.13 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 118.97 0.805 . . . . 0.0 111.588 176.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.434 ' HB3' ' HA ' ' A' ' 50' ' ' PRO . . . -60.54 -33.76 73.15 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 118.717 -1.193 . . . . 0.0 110.108 177.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 20.6 m -78.52 -46.71 18.9 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.667 1.587 . . . . 0.0 111.904 172.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.483 1.181 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -166.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo . . . . . 0 CA--C 1.537 0.67 0 N-CA-C 109.658 -0.939 . . . . 0.0 109.658 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -139.36 -65.81 0.47 Allowed 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 125.362 1.465 . . . . 0.0 108.526 -159.17 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.42 87.1 0.02 OUTLIER 'General case' 0 C--O 1.231 0.128 0 C-N-CA 125.613 1.565 . . . . 0.0 113.072 -174.086 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -122.76 165.97 15.71 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.056 0.942 . . . . 0.0 110.182 -169.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -142.65 96.74 2.99 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 122.903 0.481 . . . . 0.0 110.013 -158.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 39.6 mt -84.0 103.44 11.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 175.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 tt -66.84 116.55 7.84 Favored 'General case' 0 N--CA 1.45 -0.466 0 O-C-N 120.509 -1.369 . . . . 0.0 108.587 173.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 13.6 t -124.98 -174.25 3.0 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.898 1.679 . . . . 0.0 108.864 175.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 28.9 m -113.77 162.23 12.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 158.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 49.5 t -65.29 126.09 27.09 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 161.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 4.7 t -58.46 -28.58 65.46 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -178.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.87 -19.92 6.01 Favored 'General case' 0 C--N 1.343 0.287 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -170.027 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 18.5 m -89.36 -15.32 33.6 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 119.358 0.981 . . . . 0.0 112.064 166.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 32.0 t0 42.58 56.23 3.91 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.468 1.907 . . . . 0.0 111.924 -172.262 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -127.38 151.48 18.45 Favored Glycine 0 C--N 1.337 0.6 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 174.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -64.8 129.69 40.71 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 126.073 1.749 . . . . 0.0 109.298 -174.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 13.2 mt -129.45 143.82 39.98 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.19 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 171.029 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -110.48 86.95 2.41 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 76.0 mt -69.58 98.51 1.16 Allowed 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 114.5 -1.227 . . . . 0.0 108.715 -162.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 57.8 m -88.22 93.49 9.52 Favored 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 -169.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 29.8 m -106.1 123.16 60.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 104.843 -2.28 . . . . 0.0 104.843 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -88.42 98.28 11.53 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 103.088 -2.931 . . . . 0.0 103.088 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 45.3 m -153.25 138.92 17.86 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 124.104 0.962 . . . . 0.0 111.032 -158.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 47.5 m -60.44 141.61 56.17 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 175.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.41 -40.05 58.54 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -167.13 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -92.46 -10.88 36.28 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.958 0.885 . . . . 0.0 113.368 -175.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -79.63 -35.96 38.65 Favored 'General case' 0 N--CA 1.44 -0.964 0 C-N-CA 124.969 1.308 . . . . 0.0 108.429 167.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.469 ' HA ' HD23 ' B' ' 37' ' ' LEU . 1.2 tt -59.2 -47.09 86.6 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.426 1.091 . . . . 0.0 109.705 165.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -57.69 -49.96 74.78 Favored 'General case' 0 CA--C 1.514 -0.405 0 C-N-CA 125.304 1.442 . . . . 0.0 108.027 177.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 88.4 m -55.77 -52.06 65.26 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.325 0.65 . . . . 0.0 109.677 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.2 OUTLIER -64.94 -28.32 69.45 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 118.47 0.577 . . . . 0.0 111.977 178.113 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -67.9 -32.82 73.56 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 120.581 -1.324 . . . . 0.0 109.715 171.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -68.32 -34.55 76.33 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 119.594 1.088 . . . . 0.0 109.597 172.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 23.9 mt -59.83 -41.07 90.52 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.822 167.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -59.65 -45.13 92.95 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.8 1.182 . . . . 0.0 110.425 174.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 60.8 mt -65.35 -20.32 66.34 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 175.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 8.4 t -80.8 -77.64 0.2 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.17 1.788 . . . . 0.0 110.906 172.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.3 p -143.68 1.64 1.18 Allowed 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 -172.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.01 148.31 22.29 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 122.303 1.049 . . . . 0.0 112.609 -172.024 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.7 p -147.87 178.53 8.43 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 130.025 3.33 . . . . 0.0 107.776 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -135.86 158.29 44.76 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 120.137 -1.602 . . . . 0.0 110.12 176.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.453 HG13 ' SG ' ' B' ' 52' ' ' CYS . 5.1 t -140.32 104.89 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.162 0 C-N-CA 126.407 1.883 . . . . 0.0 107.138 -171.053 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 2.7 p -58.01 156.33 20.32 Favored Pre-proline 0 CA--C 1.538 0.509 0 C-N-CA 124.142 0.977 . . . . 0.0 112.221 -173.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' PRO . . . . . 0.437 ' HA ' ' HB3' ' B' ' 53' ' ' ALA . 18.3 Cg_endo -58.41 -22.44 58.65 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 122.169 1.912 . . . . 0.0 113.974 178.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -57.22 -67.69 0.3 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.763 1.225 . . . . 0.0 110.035 170.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.453 ' SG ' HG13 ' B' ' 48' ' ' VAL . 1.8 p -66.54 -23.89 66.29 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 119.121 0.873 . . . . 0.0 112.535 177.301 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.437 ' HB3' ' HA ' ' B' ' 50' ' ' PRO . . . -60.88 -41.09 95.31 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 118.35 -1.34 . . . . 0.0 109.767 174.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 22.0 m -76.9 -47.38 21.3 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.984 1.713 . . . . 0.0 111.627 178.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.69 -55.28 5.12 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.406 1.082 . . . . 0.0 111.69 -173.455 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 . . . . . 0 C--O 1.252 1.235 1 C-N-CA 134.22 5.008 . . . . 0.0 108.225 -160.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 . . . . . 0 N--CA 1.431 -1.393 0 CA-C-O 116.529 -1.7 . . . . 0.0 111.948 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.8 ttm-85 -59.13 84.98 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 121.158 1.799 . . . . 0.0 111.785 -176.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -120.89 165.7 14.83 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.298 1.039 . . . . 0.0 109.321 -169.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.26 97.67 3.54 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.428 0.691 . . . . 0.0 109.523 -164.264 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.4 mt -83.51 96.6 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 172.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.9 tt -64.47 113.33 3.6 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 169.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.1 t -122.69 -169.66 1.95 Allowed 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 124.953 1.301 . . . . 0.0 108.534 171.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.2 m -121.07 156.38 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 165.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 30.6 t -66.72 125.29 25.36 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 170.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 37.3 t -48.89 -35.79 15.61 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.192 1.397 . . . . 0.0 112.78 -177.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -115.51 -11.3 11.8 Favored 'General case' 0 C--N 1.342 0.269 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -173.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.8 m -103.27 -15.1 16.08 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 119.6 1.091 . . . . 0.0 112.397 173.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.7 t0 49.47 29.01 2.67 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.481 1.912 . . . . 0.0 112.454 -168.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.57 143.46 16.73 Favored Glycine 0 C--N 1.34 0.785 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 -177.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -62.45 115.87 4.6 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 126.615 1.966 . . . . 0.0 109.259 -175.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.7 mt -118.65 119.12 60.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 172.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -84.1 85.78 7.3 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.991 0.916 . . . . 0.0 108.609 170.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.2 mt -68.85 97.48 0.84 Allowed 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 123.827 0.851 . . . . 0.0 108.891 -170.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.402 HG22 ' CG2' ' B' ' 48' ' ' VAL . 9.9 m -82.51 108.33 15.83 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 -177.435 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.5 m -125.1 120.43 58.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 N-CA-C 104.512 -2.403 . . . . 0.0 104.512 177.127 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -77.99 95.27 4.78 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 172.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -154.57 157.68 38.63 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 121.191 0.52 . . . . 0.0 110.732 169.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.9 m -54.51 148.63 11.83 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.482 1.513 . . . . 0.0 110.495 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.58 -43.74 76.27 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.676 -0.64 . . . . 0.0 112.245 -171.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -82.18 -20.56 37.58 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.628 -0.67 . . . . 0.0 112.695 -176.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -67.54 -46.33 73.09 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 168.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.48 -36.72 74.18 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.159 1.783 . . . . 0.0 111.705 172.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -73.24 -44.38 59.57 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 127.305 2.242 . . . . 0.0 109.525 -178.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.2 m -56.71 -46.31 81.32 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 172.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.81 -37.19 75.82 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.495 1.518 . . . . 0.0 112.412 171.456 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -64.03 -33.67 76.28 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 119.851 -1.78 . . . . 0.0 110.085 172.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -70.88 -30.14 66.43 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.413 -0.805 . . . . 0.0 110.245 172.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.3 mt -65.21 -32.82 74.69 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.095 0.861 . . . . 0.0 112.167 169.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -62.91 -48.51 78.66 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.444 1.02 . . . . 0.0 110.181 168.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.8 mt -64.18 -24.87 67.83 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.5 t -68.42 -83.56 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 127.578 2.351 . . . . 0.0 109.594 167.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.0 p -139.86 -15.03 1.04 Allowed 'General case' 0 C--N 1.344 0.348 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -177.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 tt -72.79 144.72 47.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 122.801 1.286 . . . . 0.0 112.81 -163.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.6 m -147.33 164.76 32.25 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 158.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -109.94 149.93 29.21 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -173.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . 0.301 2.2 t -138.84 103.49 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.093 0 C-N-CA 126.03 1.732 . . . . 0.0 107.375 -171.412 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.8 p -56.67 142.55 71.02 Favored Pre-proline 0 CA--C 1.534 0.358 0 C-N-CA 125.328 1.451 . . . . 0.0 109.808 -171.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -59.45 -28.1 86.67 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 121.595 1.53 . . . . 0.0 113.449 -168.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 37.7 t90 -56.59 -64.5 0.85 Allowed 'General case' 0 C--O 1.235 0.323 0 C-N-CA 124.874 1.269 . . . . 0.0 110.583 171.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 14.1 p -66.01 -30.68 71.27 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 118.24 0.473 . . . . 0.0 110.592 -178.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.37 -37.61 88.11 Favored 'General case' 0 N--CA 1.442 -0.851 0 O-C-N 123.139 0.274 . . . . 0.0 111.165 -177.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 31.3 m -75.83 -47.02 27.33 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.71 1.604 . . . . 0.0 110.397 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 . . . . . 0 N--CA 1.468 0.469 0 C-N-CA 123.052 0.541 . . . . 0.0 111.165 -176.144 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo . . . . . 0 CA--C 1.541 0.855 0 CA-C-O 121.201 0.417 . . . . 0.0 112.85 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 15.5 mp0 -127.52 -52.43 1.37 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.958 1.703 . . . . 0.0 109.872 176.012 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.54 91.39 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.558 1.526 . . . . 0.0 110.539 -176.525 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 47.9 m170 -124.95 162.6 24.12 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.953 0.901 . . . . 0.0 109.543 -170.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.42 96.93 3.26 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -161.409 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 57.7 mt -83.16 95.32 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 105.665 -1.976 . . . . 0.0 105.665 170.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt -62.93 111.89 2.34 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 167.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 t -120.83 -172.22 2.34 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 124.981 1.313 . . . . 0.0 108.156 171.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 15.4 m -123.34 156.97 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 167.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 26.9 t -64.3 121.78 15.11 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 168.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 5.5 t -56.47 -19.15 13.92 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.507 1.123 . . . . 0.0 113.318 -171.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -125.83 -19.07 4.97 Favored 'General case' 0 C--N 1.342 0.27 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -171.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 14.5 p -114.99 0.38 13.66 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 120.224 1.375 . . . . 0.0 112.841 171.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 23.1 t0 56.61 21.48 5.81 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.589 1.956 . . . . 0.0 113.07 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.22 142.01 26.72 Favored Glycine 0 C--N 1.34 0.758 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -66.84 118.08 9.84 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 125.814 1.646 . . . . 0.0 109.294 -176.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 2.2 mt -125.17 112.76 32.66 Favored 'Isoleucine or valine' 0 C--N 1.341 0.203 0 CA-C-N 118.604 0.638 . . . . 0.0 109.498 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -83.52 83.96 7.7 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 171.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 46.6 mt -67.89 96.75 0.61 Allowed 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.05 0.94 . . . . 0.0 108.54 -170.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 33.5 m -87.01 100.1 12.37 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -175.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 m -106.73 117.14 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 103.085 -2.931 . . . . 0.0 103.085 176.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -84.59 96.77 9.28 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 104.715 -2.328 . . . . 0.0 104.715 175.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.6 t -157.31 156.55 32.59 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 123.199 0.6 . . . . 0.0 110.14 176.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.1 m -51.75 143.4 13.0 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 125.426 1.491 . . . . 0.0 110.093 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.36 -37.42 64.91 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -168.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -92.85 -15.43 26.47 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -175.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.93 -44.06 90.71 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 161.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.444 ' HA ' HD23 ' B' ' 37' ' ' LEU . 0.2 OUTLIER -61.6 -40.51 95.08 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.959 1.304 . . . . 0.0 111.838 173.615 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -65.73 -45.3 83.15 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 126.668 1.987 . . . . 0.0 109.06 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 27.9 m -56.49 -46.56 80.42 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 173.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -59.29 -35.62 74.08 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.959 1.304 . . . . 0.0 112.586 172.175 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -66.72 -31.67 72.48 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 119.955 -1.716 . . . . 0.0 110.331 172.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -71.42 -30.14 65.72 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.098 -1.001 . . . . 0.0 109.846 171.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.416 ' HA ' ' HB3' ' B' ' 43' ' ' SER . 81.6 mt -67.52 -30.61 70.32 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.726 0.694 . . . . 0.0 111.974 170.552 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -62.53 -50.89 69.57 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.459 1.027 . . . . 0.0 109.937 166.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 54.6 mt -62.76 -25.75 68.36 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' SER . . . . . 0.416 ' HB3' ' HA ' ' B' ' 40' ' ' LEU . 5.7 t -67.74 -83.56 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 127.284 2.234 . . . . 0.0 109.625 167.224 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 69.8 p -139.5 -15.81 1.06 Allowed 'General case' 0 C--N 1.345 0.389 0 N-CA-C 115.902 1.816 . . . . 0.0 115.902 -177.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 tt -69.92 143.14 52.81 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 122.86 1.314 . . . . 0.0 112.479 -164.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.0 m -147.6 168.43 22.03 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 125.289 1.436 . . . . 0.0 107.655 159.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -115.32 157.32 23.99 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 122.242 1.02 . . . . 0.0 108.672 -171.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.402 ' CG2' HG22 ' A' ' 26' ' ' THR . 0.0 OUTLIER -136.08 116.65 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.999 0 C-N-CA 126.098 1.759 . . . . 0.0 107.419 -179.636 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 14.0 p -60.01 155.73 41.85 Favored Pre-proline 0 CA--C 1.536 0.42 0 C-N-CA 123.497 0.719 . . . . 0.0 110.165 -175.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -59.06 -26.08 80.32 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 121.72 1.614 . . . . 0.0 113.153 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 81.9 t90 -61.84 -48.22 81.53 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 118.763 -0.637 . . . . 0.0 111.249 171.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 32.0 m -73.05 -29.49 63.02 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 118.833 0.742 . . . . 0.0 112.117 175.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.25 -32.57 73.28 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.342 0.974 . . . . 0.0 110.866 170.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 28.1 m -84.46 -43.03 15.0 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.64 1.176 . . . . 0.0 111.912 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -121.32 -16.65 7.85 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -165.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 C--O 1.253 1.277 0 C-N-CA 126.865 2.066 . . . . 0.0 111.866 -158.794 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . 0.256 1.4 mp0 . . . . . 0 N--CA 1.441 -0.897 0 CA-C-O 117.615 -1.183 . . . . 0.0 109.919 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.73 92.17 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.38 1.872 . . . . 0.0 111.518 177.2 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -127.37 150.59 49.54 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 121.326 -0.859 . . . . 0.0 109.731 -174.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -131.06 95.3 3.77 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 122.908 0.483 . . . . 0.0 111.318 -158.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.5 mt -86.39 99.0 7.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tt -66.34 112.93 4.26 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 120.185 -1.572 . . . . 0.0 108.835 173.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.5 t -131.63 -162.15 1.2 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.183 0.993 . . . . 0.0 110.656 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.0 m -125.8 155.01 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.537 1.135 . . . . 0.0 108.923 170.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.422 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 38.5 t -73.17 133.41 44.05 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 124.055 0.942 . . . . 0.0 108.826 170.391 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.3 t -51.01 -41.12 59.57 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.0 0.92 . . . . 0.0 112.272 171.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.09 -12.34 2.85 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -159.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.0 m -82.23 -16.71 48.64 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.94 158.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.2 t0 43.34 64.14 1.32 Allowed 'General case' 0 C--N 1.346 0.429 0 C-N-CA 126.35 1.86 . . . . 0.0 111.108 -169.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.84 156.59 26.77 Favored Glycine 0 C--N 1.337 0.584 0 N-CA-C 110.421 -1.072 . . . . 0.0 110.421 -175.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.0 133.6 52.05 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 125.551 1.54 . . . . 0.0 109.394 -178.32 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.3 mt -123.3 151.08 27.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 167.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -116.15 84.28 2.09 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 175.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.7 mt -70.59 90.68 0.76 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.212 -1.358 . . . . 0.0 109.491 -161.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.2 m -86.98 88.27 7.66 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 -175.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.5 m -92.69 174.19 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 169.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -134.04 94.56 3.27 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 103.942 -2.614 . . . . 0.0 103.942 -172.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.4 m -151.2 150.6 30.81 Favored 'General case' 0 C--O 1.22 -0.496 0 O-C-N 120.08 -1.637 . . . . 0.0 110.417 -158.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.0 m -70.6 156.26 39.66 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 121.726 2.057 . . . . 0.0 108.7 171.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.1 -45.38 87.3 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.615 1.098 . . . . 0.0 113.025 -171.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -76.75 -19.42 57.65 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 121.659 0.742 . . . . 0.0 111.776 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -81.91 -38.36 25.43 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.457 1.503 . . . . 0.0 108.966 178.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.487 ' HA ' HD23 ' A' ' 37' ' ' LEU . 1.3 tt -57.99 -44.41 87.17 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 126.068 1.747 . . . . 0.0 109.775 164.681 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -64.31 -43.43 94.71 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 123.852 0.861 . . . . 0.0 109.933 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 85.3 m -56.7 -50.11 73.13 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 175.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -68.34 -23.69 64.73 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.295 -0.878 . . . . 0.0 112.516 176.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -67.7 -32.35 72.94 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 120.461 -1.399 . . . . 0.0 109.912 168.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -69.81 -35.42 74.81 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.066 -1.021 . . . . 0.0 109.781 171.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.9 mt -62.49 -29.38 70.5 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 118.762 0.71 . . . . 0.0 112.105 169.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.59 -50.13 68.41 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.033 1.733 . . . . 0.0 110.123 171.097 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 70.5 mt -66.71 -25.74 66.67 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.157 0.983 . . . . 0.0 112.43 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.9 t -66.81 -82.36 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 127.037 2.135 . . . . 0.0 109.557 170.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.9 p -138.93 -15.59 1.14 Allowed 'General case' 0 C--N 1.344 0.334 0 N-CA-C 116.137 1.903 . . . . 0.0 116.137 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.9 tt -72.28 109.06 5.76 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -166.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 p -96.7 176.44 6.0 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.249 1.02 . . . . 0.0 108.597 159.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -127.96 142.54 51.22 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.229 1.011 . . . . 0.0 110.733 -173.116 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.8 t -141.63 83.98 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.933 0 C-N-CA 126.493 1.917 . . . . 0.0 106.776 -163.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.0 p -55.37 159.21 4.71 Favored Pre-proline 0 N--CA 1.474 0.751 0 C-N-CA 127.047 2.139 . . . . 0.0 112.22 -176.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.439 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 14.4 Cg_endo -58.5 -25.77 75.5 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 122.379 2.053 . . . . 0.0 115.107 -170.193 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -58.47 -63.68 1.19 Allowed 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.325 1.05 . . . . 0.0 110.302 172.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.422 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 5.6 p -69.54 -24.13 63.68 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 119.161 0.891 . . . . 0.0 112.268 174.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.439 ' HB3' ' HA ' ' A' ' 50' ' ' PRO . . . -58.35 -39.18 78.83 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 118.192 -1.403 . . . . 0.0 109.612 176.172 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.7 m -74.62 -61.86 1.73 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 127.094 2.158 . . . . 0.0 111.357 173.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 m120 . . . . . 0 N--CA 1.477 0.889 0 C-N-CA 124.948 1.299 . . . . 0.0 113.341 -167.549 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo . . . . . 0 CA--C 1.538 0.724 0 CA-C-O 121.489 0.537 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 17.5 mp0 -127.78 -57.52 1.26 Allowed 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 126.126 1.771 . . . . 0.0 109.02 172.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.36 88.37 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 126.051 1.74 . . . . 0.0 112.101 179.455 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 58.6 m170 -124.62 161.26 26.63 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 125.136 1.374 . . . . 0.0 110.189 -167.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -136.79 90.18 2.52 Favored 'General case' 0 C--N 1.337 0.062 0 C-N-CA 124.134 0.974 . . . . 0.0 108.976 -160.3 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 18.9 mt -84.8 101.83 9.87 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.22 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 175.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 tt -65.69 116.35 6.82 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 120.597 -1.315 . . . . 0.0 108.355 171.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 3.7 t -131.25 -166.75 1.75 Allowed 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 126.734 2.014 . . . . 0.0 108.043 176.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 19.7 m -126.51 157.91 36.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-O 121.464 0.65 . . . . 0.0 110.093 169.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' CYS . . . . . 0.433 ' HB3' ' SG ' ' B' ' 19' ' ' CYS . 47.7 t -66.62 102.63 0.94 Allowed 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 161.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 15.0 t -50.19 -34.07 21.38 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.636 1.174 . . . . 0.0 112.934 -171.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' LYS . . . . . 0.464 ' HD3' ' CG1' ' B' ' 48' ' ' VAL . 21.5 ptmt -87.54 -16.96 33.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 125.248 1.419 . . . . 0.0 113.616 -174.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' B' ' 16' ' ' CYS . 1.4 p -129.21 -0.55 5.14 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -179.315 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 21.8 t0 55.27 19.02 2.74 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 128.257 2.623 . . . . 0.0 113.576 -174.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.0 142.3 26.25 Favored Glycine 0 C--N 1.34 0.777 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 -177.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -64.36 122.27 16.29 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 125.798 1.639 . . . . 0.0 108.934 -176.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 5.8 mt -127.29 120.27 54.61 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 171.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -81.32 87.4 6.15 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 107.559 -1.275 . . . . 0.0 107.559 166.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 56.4 mt -65.33 97.31 0.27 Allowed 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 -172.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 81.7 m -92.75 92.31 7.9 Favored 'General case' 0 N--CA 1.435 -1.21 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 -171.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.437 HG21 HD21 ' B' ' 37' ' ' LEU . 11.4 m -115.52 139.11 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 -175.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -112.33 79.89 1.27 Allowed 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 105.899 -1.889 . . . . 0.0 105.899 -159.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -150.71 154.59 37.69 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.229 0.538 . . . . 0.0 111.176 -174.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.9 m -50.2 141.4 11.43 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 126.316 1.846 . . . . 0.0 109.665 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.54 -37.57 65.56 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -166.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -84.3 -25.53 29.22 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.619 0.645 . . . . 0.0 112.725 -176.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -67.41 -45.5 75.97 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.587 1.155 . . . . 0.0 108.249 169.566 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.531 ' HA ' HD23 ' B' ' 37' ' ' LEU . 1.3 tt -59.5 -44.22 93.15 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 125.131 1.372 . . . . 0.0 111.321 172.141 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -60.7 -46.11 91.65 Favored 'General case' 0 CA--C 1.51 -0.559 0 C-N-CA 127.006 2.122 . . . . 0.0 108.983 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 33.8 m -56.75 -50.47 72.17 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 175.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.531 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -52.7 -40.84 63.34 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.657 1.183 . . . . 0.0 111.457 170.805 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -68.89 -30.55 69.07 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 120.453 -1.404 . . . . 0.0 110.589 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -67.85 -36.61 80.62 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 119.08 0.855 . . . . 0.0 109.511 172.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 17.6 mt -57.1 -45.6 83.25 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-O 118.843 -0.599 . . . . 0.0 109.953 169.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -63.03 -42.65 99.83 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.02 0.827 . . . . 0.0 111.314 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 41.7 mt -64.6 -27.43 68.94 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.657 0.783 . . . . 0.0 111.866 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 7.3 t -83.08 -65.34 1.02 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.902 1.681 . . . . 0.0 112.298 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -143.93 -16.03 0.61 Allowed 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 -158.003 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mp -104.19 152.8 21.72 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -163.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -141.4 178.17 7.61 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.544 2.338 . . . . 0.0 109.657 174.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -133.68 164.54 26.97 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 124.337 1.055 . . . . 0.0 108.756 178.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.464 ' CG1' ' HD3' ' B' ' 18' ' ' LYS . 0.4 OUTLIER -133.93 118.38 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.123 0 C-N-CA 125.89 1.676 . . . . 0.0 109.061 -174.691 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 23.7 p -65.22 150.01 96.17 Favored Pre-proline 0 CA--C 1.538 0.482 0 O-C-N 121.494 -0.754 . . . . 0.0 109.686 178.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.16 -29.31 45.43 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.397 2.065 . . . . 0.0 114.62 -178.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 19.9 t90 -58.52 -69.65 0.18 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.144 1.378 . . . . 0.0 110.013 172.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 69.6 m -66.59 -26.91 67.33 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.506 0.722 . . . . 0.0 112.879 -175.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.48 -53.98 51.9 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 124.312 1.045 . . . . 0.0 110.502 171.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 28.9 m -69.73 -47.52 62.78 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.737 1.215 . . . . 0.0 110.485 -177.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -75.03 -29.73 60.88 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 118.15 -0.929 . . . . 0.0 111.867 -172.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.251 1.137 0 CA-C-O 115.298 -2.286 . . . . 0.0 109.801 -159.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 . . . . . 0 N--CA 1.45 -0.44 0 CA-C-O 118.218 -0.896 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.451 ' HE ' ' CG2' ' A' ' 26' ' ' THR . 0.1 OUTLIER -57.35 100.81 0.05 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.714 1.143 . . . . 0.0 108.981 177.745 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -133.44 147.24 51.69 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.849 0.86 . . . . 0.0 110.395 -170.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -129.87 95.95 4.09 Favored 'General case' 0 CA--C 1.509 -0.628 0 C-N-CA 123.582 0.753 . . . . 0.0 111.129 -158.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.0 mt -87.08 94.59 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 N-CA-C 105.482 -2.044 . . . . 0.0 105.482 167.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.0 tt -63.66 104.61 0.68 Allowed 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 162.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -116.2 -170.06 1.73 Allowed 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.25 1.02 . . . . 0.0 109.27 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.3 m -124.2 155.07 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 124.077 0.951 . . . . 0.0 109.453 175.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.417 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 16.7 t -75.33 136.12 40.84 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.934 -174.336 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.7 t -50.75 -48.99 58.99 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 124.889 1.276 . . . . 0.0 111.688 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -101.77 -17.24 16.33 Favored 'General case' 0 C--N 1.341 0.207 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -164.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.6 p -133.08 2.26 3.6 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -174.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.4 t0 55.27 16.07 1.55 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.615 1.966 . . . . 0.0 113.734 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.64 148.33 38.37 Favored Glycine 0 C--N 1.339 0.706 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 -176.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -61.75 125.99 25.76 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 177.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.6 mt -125.1 111.58 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 171.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.41 102.77 2.72 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 163.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.2 mt -84.09 82.75 8.22 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 176.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.451 ' CG2' ' HE ' ' A' ' 9' ' ' ARG . 96.7 m -69.57 93.42 0.69 Allowed 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 159.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 m -88.58 162.6 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 N-CA-C 103.695 -2.706 . . . . 0.0 103.695 158.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -127.08 101.06 6.37 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 119.938 -1.727 . . . . 0.0 106.647 176.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -167.57 162.7 14.42 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 122.909 0.483 . . . . 0.0 110.492 169.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.4 m -49.41 145.97 4.29 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.627 1.571 . . . . 0.0 110.894 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.29 -37.26 67.1 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -166.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -79.53 -25.67 41.65 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.914 0.886 . . . . 0.0 113.103 -178.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -68.6 -45.98 70.52 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 171.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' ' 37' ' ' LEU . 1.1 tt -57.41 -44.59 84.7 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 124.439 1.096 . . . . 0.0 111.032 171.007 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -62.33 -42.72 99.61 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 125.421 1.488 . . . . 0.0 109.377 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.4 m -59.48 -47.47 85.37 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 174.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -53.31 -40.0 64.45 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.497 1.119 . . . . 0.0 111.442 169.748 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -70.11 -30.15 67.27 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 120.609 -1.307 . . . . 0.0 110.158 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -70.28 -35.32 73.66 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 119.152 0.887 . . . . 0.0 109.681 172.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.9 mt -64.44 -30.79 71.82 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 118.396 0.543 . . . . 0.0 111.304 169.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.3 -47.18 74.41 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.079 1.352 . . . . 0.0 110.59 172.204 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.3 mt -68.0 -26.96 66.16 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.39 1.076 . . . . 0.0 112.185 176.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.9 t -65.62 -77.9 0.06 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 127.562 2.345 . . . . 0.0 109.87 171.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.2 p -139.49 -25.37 0.84 Allowed 'General case' 0 C--N 1.343 0.297 0 N-CA-C 115.413 1.634 . . . . 0.0 115.413 176.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 tt -63.92 114.17 3.92 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 120.839 0.352 . . . . 0.0 111.811 -163.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.0 m -101.24 167.86 9.93 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 160.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -124.08 149.6 45.97 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 -178.157 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.567 HG21 ' CD ' ' B' ' 28' ' ' GLU 0.277 2.1 t -139.48 108.41 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 C-N-CA 124.827 1.251 . . . . 0.0 109.005 -169.405 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 p -61.17 146.35 88.51 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 125.751 1.62 . . . . 0.0 110.092 -172.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -59.59 -26.95 83.72 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.21 1.94 . . . . 0.0 113.846 -170.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -56.79 -66.02 0.52 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.986 1.314 . . . . 0.0 110.37 170.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.417 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 3.0 p -71.82 -16.77 62.17 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 118.17 0.441 . . . . 0.0 112.02 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.77 -42.79 76.94 Favored 'General case' 0 N--CA 1.436 -1.127 0 C-N-CA 119.743 -0.783 . . . . 0.0 109.074 173.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.2 m -70.89 -46.53 62.42 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.694 1.597 . . . . 0.0 110.775 177.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 . . . . . 0 N--CA 1.471 0.605 0 C-N-CA 123.127 0.571 . . . . 0.0 112.52 -175.1 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo . . . . . 0 CA--C 1.541 0.871 0 CA-C-O 120.449 0.104 . . . . 0.0 112.225 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 16.4 mp0 -129.33 -53.48 1.18 Allowed 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 125.117 1.367 . . . . 0.0 110.083 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.28 95.55 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.142 1.377 . . . . 0.0 110.714 -175.665 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 42.4 m170 -128.57 163.46 24.96 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.8 0.84 . . . . 0.0 109.42 -168.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.59 94.63 2.94 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 123.985 0.914 . . . . 0.0 109.061 -165.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 33.0 mt -83.05 95.21 3.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.283 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 172.268 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 tt -63.1 109.1 1.4 Allowed 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 166.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 3.4 t -120.75 -172.88 2.47 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.023 0.929 . . . . 0.0 108.609 169.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.0 m -119.14 152.96 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 171.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' CYS . . . . . 0.5 ' SG ' ' HA ' ' B' ' 48' ' ' VAL . 11.9 t -69.05 132.59 46.87 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.057 -178.352 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 29.0 t -55.57 -40.48 72.01 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.373 1.069 . . . . 0.0 112.138 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.48 -11.7 15.44 Favored 'General case' 0 C--N 1.345 0.405 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -169.412 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 31.1 p -135.46 3.81 3.09 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 20.2 t0 57.06 16.82 3.08 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.31 1.844 . . . . 0.0 113.907 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.16 147.54 39.57 Favored Glycine 0 C--N 1.34 0.764 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 -177.108 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -66.69 114.83 5.9 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 125.387 1.475 . . . . 0.0 109.202 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 16.8 mt -120.89 109.64 25.91 Favored 'Isoleucine or valine' 0 C--N 1.34 0.171 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 176.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -78.65 82.41 4.89 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 124.231 1.013 . . . . 0.0 108.71 168.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 24.4 mt -64.45 96.49 0.17 Allowed 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.735 1.214 . . . . 0.0 108.13 -172.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 24.5 m -85.57 95.87 9.46 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 -177.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 m -114.57 124.96 71.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 103.146 -2.909 . . . . 0.0 103.146 -178.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' GLU . . . . . 0.567 ' CD ' HG21 ' A' ' 48' ' ' VAL . 19.4 mt-10 -103.87 91.0 3.8 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 104.808 -2.293 . . . . 0.0 104.808 -169.242 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.7 t -153.18 156.37 38.44 Favored 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 124.322 1.049 . . . . 0.0 110.248 -176.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.9 m -51.87 141.56 17.19 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.953 1.301 . . . . 0.0 109.916 176.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.12 -34.49 63.77 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -165.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -97.16 -16.56 20.38 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -174.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -62.52 -45.21 94.04 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 159.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.47 ' HA ' HD23 ' B' ' 37' ' ' LEU . 0.5 OUTLIER -62.0 -42.15 98.84 Favored 'General case' 0 C--O 1.222 -0.358 0 C-N-CA 125.156 1.382 . . . . 0.0 111.915 174.514 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -63.95 -45.46 89.05 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 126.47 1.908 . . . . 0.0 109.222 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 30.3 m -56.14 -48.63 75.89 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 174.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -55.45 -38.49 69.11 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.753 1.221 . . . . 0.0 111.953 171.132 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -68.09 -30.12 69.23 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 120.224 -1.548 . . . . 0.0 110.312 176.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -70.56 -33.95 71.68 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 118.941 0.791 . . . . 0.0 109.837 172.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 40.7 mt -61.26 -39.53 90.72 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 118.478 0.581 . . . . 0.0 110.693 170.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' PHE . . . . . 0.422 ' CE1' ' HA ' ' B' ' 46' ' ' SER . 3.0 m-85 -61.09 -51.75 67.8 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.472 0.709 . . . . 0.0 110.142 172.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 37.4 mt -62.17 -30.45 71.07 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.934 0.894 . . . . 0.0 111.976 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 13.8 t -67.02 -66.88 0.5 Allowed 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 125.513 1.525 . . . . 0.0 110.536 170.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -152.15 -38.93 0.11 Allowed 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -158.441 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.8 tt -71.93 152.77 42.28 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 122.5 1.143 . . . . 0.0 112.511 -163.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' SER . . . . . 0.422 ' HA ' ' CE1' ' B' ' 41' ' ' PHE . 57.9 m -145.2 -179.19 6.47 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.029 -1.044 . . . . 0.0 109.368 164.101 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -127.13 156.72 41.32 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.391 1.076 . . . . 0.0 108.242 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.5 ' HA ' ' SG ' ' B' ' 16' ' ' CYS 0.325 0.5 OUTLIER -141.11 109.29 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -179.666 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 3.1 p -60.18 144.1 87.76 Favored Pre-proline 0 CA--C 1.535 0.37 0 C-N-CA 125.627 1.571 . . . . 0.0 110.532 -169.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.51 -28.53 86.84 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 121.688 1.592 . . . . 0.0 113.933 -167.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -57.04 -64.23 0.95 Allowed 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 172.094 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 1.3 p -65.97 -27.5 68.2 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 122.929 0.492 . . . . 0.0 110.971 -175.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.51 -18.24 55.05 Favored 'General case' 0 N--CA 1.442 -0.834 0 O-C-N 124.394 1.059 . . . . 0.0 111.827 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 27.7 m -90.48 -38.58 13.14 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.059 1.344 . . . . 0.0 110.783 169.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -62.59 -36.9 84.19 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.018 0.826 . . . . 0.0 110.488 172.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.256 1.406 0 C-N-CA 128.75 2.82 . . . . 0.0 115.963 158.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.3 mp0 . . . . . 0 N--CA 1.451 -0.382 0 CA-C-O 118.263 -0.875 . . . . 0.0 109.213 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.54 94.9 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.578 1.151 . . . . 0.0 110.602 -176.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 45.4 m170 -127.1 167.64 15.71 Favored 'General case' 0 C--N 1.34 0.159 0 CA-C-N 118.429 0.559 . . . . 0.0 110.567 -170.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -142.85 97.52 3.12 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 124.805 1.242 . . . . 0.0 109.189 -161.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.9 mt -85.5 94.25 3.97 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.319 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 168.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 tt -66.62 111.82 3.84 Favored 'General case' 0 N--CA 1.446 -0.643 0 O-C-N 120.438 -1.414 . . . . 0.0 108.69 169.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 t -120.11 -173.24 2.51 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 123.81 0.844 . . . . 0.0 109.124 167.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.8 m -121.24 153.45 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 167.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.0 t -69.0 131.0 44.37 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.002 -175.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.3 t -57.67 -36.14 71.51 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.082 0.553 . . . . 0.0 111.96 -173.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -111.12 -11.15 14.29 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -166.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 30.5 p -139.45 4.11 2.16 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.3 t0 57.74 17.4 4.11 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.941 2.097 . . . . 0.0 114.302 175.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.64 148.02 39.55 Favored Glycine 0 C--N 1.339 0.749 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -66.39 113.6 4.78 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 124.785 1.234 . . . . 0.0 108.98 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.3 mt -116.7 105.66 18.72 Favored 'Isoleucine or valine' 0 C--N 1.341 0.232 0 CA-C-O 121.914 0.864 . . . . 0.0 109.209 177.054 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -80.01 84.75 5.7 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.341 1.056 . . . . 0.0 108.803 169.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.8 mt -68.86 93.5 0.55 Allowed 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.572 0.749 . . . . 0.0 109.116 -171.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.455 HG22 HG23 ' B' ' 48' ' ' VAL . 8.4 m -87.7 98.84 11.67 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 -173.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.3 m -121.04 117.37 52.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 N-CA-C 104.205 -2.517 . . . . 0.0 104.205 -178.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -79.14 105.87 10.77 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 174.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.406 ' OG ' ' OD1' ' A' ' 33' ' ' ASP . 0.9 OUTLIER -159.69 155.76 26.61 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 118.213 0.46 . . . . 0.0 111.449 168.383 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.2 m -51.86 141.55 17.19 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.929 1.292 . . . . 0.0 109.903 176.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.53 -35.47 63.24 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -166.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -85.13 -25.52 27.44 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.406 ' OD1' ' OG ' ' A' ' 29' ' ' SER . 10.2 t70 -67.18 -44.21 80.23 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 169.219 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.599 ' HA ' HD23 ' A' ' 37' ' ' LEU . 2.8 tt -57.6 -48.97 77.94 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 124.681 1.193 . . . . 0.0 110.677 170.442 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -56.67 -47.35 80.0 Favored 'General case' 0 CA--C 1.51 -0.568 0 C-N-CA 125.417 1.487 . . . . 0.0 109.191 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.7 m -57.01 -48.28 78.85 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 124.177 0.923 . . . . 0.0 109.248 177.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.599 HD23 ' HA ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -58.62 -36.04 73.42 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.969 -0.457 . . . . 0.0 110.986 172.808 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -71.63 -24.93 61.96 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.82 -1.175 . . . . 0.0 111.12 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -71.88 -37.85 70.09 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 119.066 0.848 . . . . 0.0 109.45 170.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.7 mt -60.59 -35.1 75.27 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.669 0.668 . . . . 0.0 110.607 169.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.67 -48.44 77.19 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 125.13 1.372 . . . . 0.0 110.415 174.609 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.4 mt -63.47 -33.16 74.97 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.735 0.814 . . . . 0.0 112.063 176.093 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.1 t -74.78 -62.21 1.61 Allowed 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 125.881 1.672 . . . . 0.0 112.106 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.18 -35.11 0.44 Allowed 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -158.36 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.5 tt -89.36 143.56 26.73 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.638 0.775 . . . . 0.0 112.222 -161.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 p -127.97 -179.6 5.06 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 128.578 2.751 . . . . 0.0 108.38 168.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.426 ' CZ ' HG12 ' B' ' 27' ' ' VAL . 0.2 OUTLIER -139.48 155.27 47.66 Favored 'General case' 0 C--O 1.237 0.417 0 O-C-N 120.881 -1.137 . . . . 0.0 111.751 -177.83 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.9 t -145.66 98.73 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 C-N-CA 126.814 2.045 . . . . 0.0 107.493 -162.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.5 p -58.92 153.79 41.83 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 125.776 1.631 . . . . 0.0 110.486 -175.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -60.81 -25.24 80.8 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 122.155 1.903 . . . . 0.0 113.812 -174.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 14.4 t90 -56.59 -68.23 0.23 Allowed 'General case' 0 C--N 1.341 0.237 0 C-N-CA 125.076 1.35 . . . . 0.0 109.805 172.263 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.2 p -66.63 -27.19 67.49 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 118.41 0.55 . . . . 0.0 111.555 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.4 -38.19 86.18 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 118.77 -1.172 . . . . 0.0 110.255 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.9 m -75.35 -48.78 21.48 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.361 1.865 . . . . 0.0 111.329 175.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 . . . . . 0 N--CA 1.474 0.774 0 C-N-CA 124.157 0.983 . . . . 0.0 113.006 -170.878 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo . . . . . 0 CA--C 1.539 0.76 0 CA-C-O 121.125 0.386 . . . . 0.0 111.919 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -127.38 -58.95 1.25 Allowed 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.465 1.506 . . . . 0.0 109.593 176.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.17 95.99 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.198 1.399 . . . . 0.0 110.294 177.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 56.9 m170 -131.35 144.4 51.21 Favored 'General case' 0 C--O 1.227 -0.107 0 C-N-CA 124.495 1.118 . . . . 0.0 109.398 -165.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -124.02 88.49 2.92 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 124.668 1.187 . . . . 0.0 109.76 -158.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 14.5 mt -84.35 102.27 10.06 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.207 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt -68.39 115.07 7.4 Favored 'General case' 0 N--CA 1.446 -0.653 0 O-C-N 120.942 -1.099 . . . . 0.0 108.817 175.19 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 14.5 t -125.73 -172.79 2.68 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.568 1.947 . . . . 0.0 108.555 178.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 20.6 m -109.65 162.22 7.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 158.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 38.4 t -64.28 131.85 48.53 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 161.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 35.9 t -51.31 -38.11 51.21 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.552 1.541 . . . . 0.0 111.828 178.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.18 -17.67 4.72 Favored 'General case' 0 C--N 1.343 0.314 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -171.007 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.1 m -83.76 -13.94 52.7 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.51 1.05 . . . . 0.0 110.95 167.068 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 25.9 t0 47.52 36.75 5.53 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.19 1.796 . . . . 0.0 111.994 -176.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -116.86 150.45 18.54 Favored Glycine 0 C--N 1.339 0.72 0 N-CA-C 108.804 -1.718 . . . . 0.0 108.804 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.36 132.16 47.72 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.78 0.832 . . . . 0.0 108.895 -172.527 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 44.2 mt -125.95 128.46 71.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 170.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -78.19 97.2 5.42 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 162.229 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.8 mt -73.03 90.99 1.54 Allowed 'General case' 0 C--O 1.234 0.263 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -178.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 22.0 m -79.63 97.16 6.41 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 172.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.426 HG12 ' CZ ' ' A' ' 47' ' ' PHE . 1.3 m -93.79 176.69 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 N-CA-C 104.725 -2.324 . . . . 0.0 104.725 164.19 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -135.74 88.31 2.39 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 6.1 t -159.11 155.47 27.35 Favored 'General case' 0 C--N 1.343 0.298 0 O-C-N 121.135 -0.978 . . . . 0.0 111.48 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 18.3 m -53.33 144.48 16.26 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 125.127 1.371 . . . . 0.0 110.128 177.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.11 -33.37 57.54 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -163.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -99.21 -19.26 17.22 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -173.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -64.41 -42.97 95.79 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 159.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.468 ' HA ' HD23 ' B' ' 37' ' ' LEU . 2.1 tt -61.89 -43.81 98.09 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 123.574 0.749 . . . . 0.0 111.55 174.219 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -56.9 -45.9 82.32 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 126.429 1.892 . . . . 0.0 109.015 175.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 22.2 m -58.3 -47.11 84.72 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 122.964 0.506 . . . . 0.0 109.652 174.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -55.31 -38.6 68.89 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.24 1.016 . . . . 0.0 111.516 170.12 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -70.16 -28.58 65.45 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 120.279 -1.513 . . . . 0.0 110.807 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -70.45 -34.41 72.41 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.179 -0.95 . . . . 0.0 109.58 171.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 67.6 mt -65.13 -30.13 71.03 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 118.84 -0.6 . . . . 0.0 111.354 169.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -64.26 -45.56 87.58 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.525 1.057 . . . . 0.0 110.622 169.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 64.7 mt -63.46 -25.81 68.44 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 175.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 6.4 t -69.56 -81.26 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.19 1.796 . . . . 0.0 109.937 168.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 35.5 p -144.69 -23.54 0.52 Allowed 'General case' 0 C--O 1.236 0.353 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 30.3 tp -54.86 113.73 1.45 Allowed 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 124.724 1.21 . . . . 0.0 110.449 -167.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 20.1 m -125.77 158.13 35.7 Favored 'General case' 0 N--CA 1.439 -0.991 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -116.32 145.22 43.35 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -172.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' VAL . . . . . 0.455 HG23 HG22 ' A' ' 26' ' ' THR . 0.5 OUTLIER -131.48 118.3 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.204 0 C-N-CA 125.888 1.675 . . . . 0.0 108.521 175.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 p -63.43 158.68 56.25 Favored Pre-proline 0 CA--C 1.54 0.564 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.117 -177.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.79 -27.4 26.88 Favored 'Trans proline' 0 CA--C 1.545 1.048 0 C-N-CA 121.303 1.335 . . . . 0.0 115.49 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 15.7 t90 -61.51 -65.82 0.63 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.173 0.989 . . . . 0.0 110.874 175.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.83 -35.0 73.82 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 118.658 0.663 . . . . 0.0 111.08 177.035 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.43 -39.01 78.66 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 119.328 -0.368 . . . . 0.0 111.43 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 25.6 m -80.95 -50.07 10.19 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.983 1.313 . . . . 0.0 111.098 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.43 -44.95 49.53 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.739 0.816 . . . . 0.0 111.97 -172.455 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 . . . . . 0 C--O 1.251 1.16 0 C-N-CA 126.454 1.902 . . . . 0.0 110.494 -159.752 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . 0.296 2.0 mp0 . . . . . 0 N--CA 1.442 -0.838 0 CA-C-O 116.464 -1.731 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.2 83.65 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 127.48 2.312 . . . . 0.0 112.507 179.326 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.9 m170 -121.62 161.0 23.22 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 123.981 0.913 . . . . 0.0 109.395 -173.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.01 94.31 2.8 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.505 0.722 . . . . 0.0 109.38 -163.109 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.7 mt -83.82 102.28 9.58 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.258 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 175.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 tt -66.68 108.92 2.64 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 120.954 -1.091 . . . . 0.0 108.934 170.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.2 t -117.37 -175.84 2.89 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 127.675 2.39 . . . . 0.0 107.4 176.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.4 m -109.7 159.55 9.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 158.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.7 t -66.88 138.33 57.22 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 164.128 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.1 t -49.32 -45.71 45.77 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.384 0.674 . . . . 0.0 112.321 173.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.28 -18.33 8.64 Favored 'General case' 0 C--O 1.226 -0.139 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -161.496 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 m -81.8 -18.87 42.53 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 118.44 -0.791 . . . . 0.0 111.173 163.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.3 t0 40.99 52.48 3.32 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 126.029 1.732 . . . . 0.0 110.869 -166.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.71 151.4 20.37 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 125.01 1.29 . . . . 0.0 110.308 -172.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -59.56 119.45 7.56 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 127.234 2.214 . . . . 0.0 109.329 -171.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 32.1 mt -123.34 119.63 58.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 167.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -77.56 88.47 3.88 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.064 1.346 . . . . 0.0 108.49 167.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.9 mt -67.58 97.13 0.58 Allowed 'General case' 0 C--O 1.235 0.319 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -173.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.5 m -85.47 94.2 8.94 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 -176.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 m -114.81 141.74 30.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 105.212 -2.144 . . . . 0.0 105.212 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -109.79 88.7 2.81 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 103.314 -2.847 . . . . 0.0 103.314 -166.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.2 m -146.4 153.8 40.89 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.359 -158.294 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.0 m -68.16 159.29 31.34 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 120.459 1.482 . . . . 0.0 109.209 176.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.19 -47.94 83.85 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.705 1.139 . . . . 0.0 112.046 -175.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -78.73 -24.48 44.83 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.064 0.459 . . . . 0.0 111.727 -176.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -70.84 -40.86 72.14 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.105 0.962 . . . . 0.0 109.446 171.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.432 ' HA ' HD23 ' A' ' 37' ' ' LEU . 3.4 tt -60.45 -43.48 96.83 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 124.972 1.309 . . . . 0.0 109.888 171.524 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -58.46 -53.54 57.19 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 175.433 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.0 m -53.55 -53.25 54.28 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 125.526 1.531 . . . . 0.0 110.258 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -64.97 -30.59 71.59 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.738 -0.601 . . . . 0.0 110.766 179.528 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -70.58 -27.27 63.98 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 120.88 -1.137 . . . . 0.0 110.882 172.083 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -67.36 -35.65 79.79 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 120.305 1.411 . . . . 0.0 110.119 169.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.1 mt -58.09 -47.66 82.53 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 118.832 0.742 . . . . 0.0 110.053 168.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -57.19 -45.77 83.46 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.093 0.406 . . . . 0.0 111.265 173.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.74 -32.83 69.6 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.976 1.31 . . . . 0.0 111.911 175.667 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.9 t -72.25 -65.88 0.72 Allowed 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.32 1.048 . . . . 0.0 109.898 176.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.3 p -147.74 -24.82 0.37 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 -175.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.84 153.94 40.83 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -160.529 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 p -140.29 175.18 9.8 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 125.599 1.56 . . . . 0.0 109.552 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -128.62 153.44 47.26 Favored 'General case' 0 C--O 1.238 0.46 0 O-C-N 121.331 -0.856 . . . . 0.0 109.033 175.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.1 t -141.8 99.16 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.197 0 N-CA-C 106.129 -1.804 . . . . 0.0 106.129 -169.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 p -58.08 150.63 50.14 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-O 118.628 -0.701 . . . . 0.0 110.926 -173.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.21 -27.09 79.25 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 121.799 1.666 . . . . 0.0 113.073 -178.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 29.4 t90 -56.64 -63.07 1.32 Allowed 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.489 1.516 . . . . 0.0 110.875 171.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.8 p -70.63 -24.41 62.71 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 119.021 0.828 . . . . 0.0 112.326 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.04 -35.38 80.98 Favored 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 119.182 -1.007 . . . . 0.0 110.04 178.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.7 m -79.19 -51.44 9.49 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.65 1.58 . . . . 0.0 110.988 177.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 . . . . . 0 N--CA 1.47 0.553 0 N-CA-C 113.04 0.755 . . . . 0.0 113.04 -166.822 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo . . . . . 0 N--CA 1.455 -0.788 0 N-CA-C 108.75 -1.288 . . . . 0.0 108.75 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -142.47 -64.22 0.42 Allowed 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -58.44 91.19 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.885 1.274 . . . . 0.0 110.756 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 56.0 m170 -124.36 163.37 21.87 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 125.433 1.493 . . . . 0.0 109.485 -170.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -138.69 93.06 2.68 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 121.982 -0.449 . . . . 0.0 110.243 -158.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 41.3 mt -83.23 101.71 8.25 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 177.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 5.7 tt -69.45 105.56 2.66 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 120.65 -1.282 . . . . 0.0 109.153 172.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 28.5 t -117.72 -173.11 2.37 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 128.175 2.59 . . . . 0.0 107.595 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 25.5 m -114.62 160.44 14.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 159.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' B' ' 52' ' ' CYS . 45.0 t -68.68 135.69 51.75 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 165.117 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 9.2 t -56.97 -37.5 71.67 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 178.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.02 -20.8 8.57 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -166.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 5.9 m -85.02 -16.42 40.81 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 118.347 -0.835 . . . . 0.0 111.622 166.204 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 30.4 t0 42.21 50.69 4.5 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 126.084 1.753 . . . . 0.0 111.283 -170.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.86 149.03 18.68 Favored Glycine 0 C--N 1.337 0.612 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -176.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.19 112.58 1.41 Allowed 'General case' 0 C--O 1.232 0.136 0 C-N-CA 127.675 2.39 . . . . 0.0 108.894 -175.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 14.9 mt -112.14 115.32 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 166.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -75.93 87.98 2.9 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 125.004 1.321 . . . . 0.0 108.231 164.507 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 80.4 mt -70.44 93.85 0.91 Allowed 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.233 1.013 . . . . 0.0 109.527 -171.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 16.4 m -75.68 98.19 4.01 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 173.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 17.5 m -112.52 142.07 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 N-CA-C 104.363 -2.458 . . . . 0.0 104.363 172.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -104.39 91.61 3.98 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 103.831 -2.655 . . . . 0.0 103.831 -170.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.3 m -153.2 133.44 13.47 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 124.709 1.204 . . . . 0.0 111.447 -158.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 14.2 m -57.51 149.4 21.22 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.698 0.799 . . . . 0.0 110.365 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.3 -41.94 72.99 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.455 1.025 . . . . 0.0 113.435 -168.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -80.97 -22.28 39.66 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 121.679 -0.638 . . . . 0.0 112.636 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -74.28 -40.17 62.48 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 123.398 0.679 . . . . 0.0 109.207 173.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' B' ' 37' ' ' LEU . 3.3 tt -58.28 -45.12 88.47 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 125.553 1.541 . . . . 0.0 109.472 169.003 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -58.6 -53.93 52.75 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 176.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 62.0 m -52.92 -52.86 56.29 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.578 1.551 . . . . 0.0 110.21 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.2 OUTLIER -65.09 -31.81 73.21 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.708 -0.62 . . . . 0.0 110.61 179.377 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -69.77 -25.19 63.69 Favored 'General case' 0 CA--C 1.546 0.788 0 O-C-N 120.317 -1.489 . . . . 0.0 110.912 172.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -69.88 -35.23 74.5 Favored 'General case' 0 C--N 1.345 0.376 0 CA-C-N 119.854 1.206 . . . . 0.0 109.851 169.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 14.9 mt -57.4 -44.41 84.53 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.781 0.719 . . . . 0.0 110.239 167.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -60.55 -47.4 86.33 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 118.319 0.509 . . . . 0.0 110.825 176.062 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 16.6 mt -60.11 -30.85 69.54 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.707 0.803 . . . . 0.0 112.328 175.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 18.3 t -69.63 -65.22 0.74 Allowed 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.877 0.871 . . . . 0.0 109.743 174.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 65.6 p -150.3 -23.47 0.24 Allowed 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -176.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.73 152.7 42.55 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -159.754 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.1 p -138.07 173.28 11.79 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.165 1.786 . . . . 0.0 109.346 178.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -131.69 153.65 49.79 Favored 'General case' 0 C--O 1.237 0.431 0 O-C-N 121.188 -0.945 . . . . 0.0 109.22 178.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 13.0 t -139.51 96.47 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.062 0 C-N-CA 126.334 1.853 . . . . 0.0 106.158 -169.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 3.4 p -57.4 154.79 21.54 Favored Pre-proline 0 CA--C 1.539 0.524 0 C-N-CA 124.669 1.188 . . . . 0.0 111.118 -174.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' PRO . . . . . 0.445 ' HA ' ' HB3' ' B' ' 53' ' ' ALA . 18.3 Cg_endo -58.9 -24.19 71.38 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 122.393 2.062 . . . . 0.0 113.887 -175.377 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 26.1 t90 -57.51 -65.24 0.66 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.421 1.488 . . . . 0.0 110.44 171.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 14.0 p -70.21 -23.05 62.88 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 119.11 0.868 . . . . 0.0 112.523 175.369 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.445 ' HB3' ' HA ' ' B' ' 50' ' ' PRO . . . -60.67 -39.9 90.1 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 118.259 -1.376 . . . . 0.0 109.675 177.307 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 24.2 m -71.57 -54.38 10.67 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 127.28 2.232 . . . . 0.0 111.235 173.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -87.26 -12.55 46.33 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -166.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 . . . . . 0 C--O 1.249 1.042 0 C-N-CA 127.218 2.207 . . . . 0.0 109.937 -166.326 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 . . . . . 0 N--CA 1.448 -0.553 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.53 90.04 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 126.289 1.836 . . . . 0.0 111.253 -178.418 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 44.4 m170 -120.8 165.59 14.93 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 124.319 1.048 . . . . 0.0 109.912 -173.313 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.36 96.94 3.46 Favored 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 123.739 0.816 . . . . 0.0 109.172 -163.324 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.9 mt -85.89 101.39 10.17 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.242 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 173.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tt -67.67 113.82 5.77 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 120.889 -1.132 . . . . 0.0 108.634 172.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.7 t -125.04 -175.59 3.33 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 127.039 2.136 . . . . 0.0 107.697 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.3 m -113.43 158.5 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 159.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 14.7 t -72.09 129.72 39.19 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 168.721 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.3 t -57.38 -35.83 70.49 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -173.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -105.91 -11.14 16.3 Favored 'General case' 0 C--N 1.339 0.115 0 C-N-CA 124.731 1.213 . . . . 0.0 113.351 -170.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.0 m -105.03 -19.34 13.86 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.736 0.814 . . . . 0.0 112.631 173.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.6 t0 48.22 31.79 2.78 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.864 1.666 . . . . 0.0 111.985 -164.024 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.62 145.4 15.97 Favored Glycine 0 C--N 1.34 0.799 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 -175.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -60.99 113.71 2.69 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 126.75 2.02 . . . . 0.0 109.057 -174.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.4 mt -114.82 118.34 58.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 168.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -78.15 89.51 4.25 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 164.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.6 mt -68.65 95.58 0.66 Allowed 'General case' 0 C--N 1.344 0.341 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -171.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.4 m -80.23 101.82 9.1 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 177.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 m -118.18 134.36 62.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 104.521 -2.4 . . . . 0.0 104.521 177.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -98.92 88.52 4.02 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 102.916 -2.994 . . . . 0.0 102.916 -168.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.5 m -148.18 130.3 15.45 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 120.883 -1.136 . . . . 0.0 110.956 -158.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.5 m -60.32 143.43 52.95 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -174.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.31 -36.24 41.7 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -162.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -99.06 -14.31 19.48 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -176.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -71.24 -39.64 71.54 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 124.514 1.126 . . . . 0.0 108.357 162.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.547 ' HA ' HD23 ' A' ' 37' ' ' LEU . 4.2 tt -61.15 -46.51 90.26 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 125.66 1.584 . . . . 0.0 110.149 169.508 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -56.15 -50.67 70.5 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 123.981 0.912 . . . . 0.0 108.648 175.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.6 m -56.21 -52.32 64.85 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.164 0.986 . . . . 0.0 110.08 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.547 HD23 ' HA ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -63.16 -30.28 71.46 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.834 -0.541 . . . . 0.0 111.02 178.221 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -71.01 -28.04 64.12 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 120.343 -1.473 . . . . 0.0 111.0 173.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -68.1 -36.17 79.36 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 119.697 1.135 . . . . 0.0 109.381 170.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.1 mt -56.83 -46.14 81.87 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 118.578 0.626 . . . . 0.0 110.442 166.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -60.14 -43.4 95.72 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.325 0.966 . . . . 0.0 111.433 177.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.5 mt -64.6 -28.87 69.92 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.841 0.856 . . . . 0.0 112.259 176.127 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.5 t -82.63 -57.18 3.44 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.626 1.17 . . . . 0.0 111.625 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 p -146.26 -24.55 0.44 Allowed 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.94 1.696 . . . . 0.0 115.478 -158.385 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.33 152.21 20.2 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 -158.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 p -138.74 173.84 11.15 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.46 1.904 . . . . 0.0 109.286 175.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -129.62 154.0 47.53 Favored 'General case' 0 C--O 1.238 0.48 0 O-C-N 121.108 -0.995 . . . . 0.0 109.145 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . 0.257 2.1 t -138.23 102.33 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 C-N-CA 125.508 1.523 . . . . 0.0 108.44 -175.557 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.4 p -57.03 145.82 63.21 Favored Pre-proline 0 CA--C 1.54 0.594 0 C-N-CA 124.353 1.061 . . . . 0.0 111.263 -174.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -61.7 -26.45 79.98 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 121.812 1.675 . . . . 0.0 113.515 -172.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 28.3 t90 -58.21 -62.5 1.79 Allowed 'General case' 0 C--O 1.235 0.31 0 C-N-CA 124.292 1.037 . . . . 0.0 110.317 171.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 4.3 p -68.68 -23.33 64.38 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 118.885 -0.579 . . . . 0.0 111.755 -176.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.55 -47.05 64.95 Favored 'General case' 0 N--CA 1.438 -1.043 0 O-C-N 123.904 0.752 . . . . 0.0 109.577 176.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.4 m -62.87 -43.91 97.54 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.42 1.088 . . . . 0.0 110.038 178.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 . . . . . 0 C--N 1.34 0.185 0 CA-C-O 118.872 -0.585 . . . . 0.0 111.903 -177.9 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 108.504 -1.383 . . . . 0.0 108.504 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 74.54 -66.98 0.27 Allowed 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 126.453 1.901 . . . . 0.0 107.706 176.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -58.19 82.96 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.823 2.449 . . . . 0.0 112.805 -177.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -117.69 166.74 12.06 Favored 'General case' 0 CA--C 1.529 0.15 0 O-C-N 121.333 -0.854 . . . . 0.0 109.538 -174.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -137.22 93.78 2.86 Favored 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 123.559 0.744 . . . . 0.0 109.131 -158.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 27.0 mt -85.29 101.6 9.96 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.187 0 N-CA-C 105.919 -1.882 . . . . 0.0 105.919 173.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 tt -65.86 114.27 4.97 Favored 'General case' 0 N--CA 1.448 -0.533 0 O-C-N 121.006 -1.059 . . . . 0.0 108.21 170.339 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 17.5 t -119.71 -176.1 3.1 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 126.41 1.884 . . . . 0.0 107.76 172.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -111.61 159.08 11.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 159.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 17.0 t -69.56 127.46 33.06 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 167.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 7.1 t -53.46 -34.91 59.71 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.633 0.773 . . . . 0.0 112.799 -174.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 4.6 ptpt -106.07 -22.01 12.99 Favored 'General case' 0 C--N 1.341 0.205 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -174.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.0 m -94.12 -17.5 22.74 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 118.758 0.708 . . . . 0.0 111.228 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 27.5 t0 46.76 36.13 3.61 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.108 1.763 . . . . 0.0 111.435 -166.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -110.01 146.02 17.1 Favored Glycine 0 C--N 1.34 0.785 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -176.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -60.08 117.31 4.96 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 126.136 1.774 . . . . 0.0 108.78 -174.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 15.9 mt -117.0 121.75 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 167.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -76.46 94.7 3.71 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 162.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 40.1 mt -72.52 93.78 1.61 Allowed 'General case' 0 C--O 1.235 0.309 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 8.2 m -81.74 93.5 6.82 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 178.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 10.7 m -109.53 128.47 65.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 104.161 -2.533 . . . . 0.0 104.161 -177.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -94.54 80.15 3.85 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 -169.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -145.57 123.65 12.13 Favored 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 125.473 1.509 . . . . 0.0 109.712 -158.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.6 m -57.83 147.53 28.08 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 125.171 1.388 . . . . 0.0 109.094 -171.209 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.91 -38.5 36.31 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 -162.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -98.83 -12.4 20.87 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -176.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -72.58 -40.58 66.48 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 125.451 1.5 . . . . 0.0 108.476 163.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' B' ' 37' ' ' LEU . 1.3 tt -60.93 -46.12 91.98 Favored 'General case' 0 C--N 1.343 0.32 0 C-N-CA 125.99 1.716 . . . . 0.0 109.623 169.513 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -59.09 -50.31 74.55 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 124.021 0.928 . . . . 0.0 108.615 177.011 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 75.6 m -55.67 -51.02 68.68 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 122.95 0.5 . . . . 0.0 109.754 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.2 OUTLIER -66.3 -28.26 68.55 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 121.78 -0.575 . . . . 0.0 111.839 178.826 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -66.96 -34.09 77.0 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 120.211 -1.556 . . . . 0.0 109.678 170.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -67.14 -35.72 80.31 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 119.536 1.062 . . . . 0.0 109.581 173.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 32.5 mt -57.14 -44.55 83.48 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 118.647 0.658 . . . . 0.0 110.593 168.002 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -61.95 -44.17 97.32 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.325 0.966 . . . . 0.0 111.382 177.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 38.1 mt -64.16 -28.51 69.81 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.639 0.775 . . . . 0.0 111.983 176.381 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 11.2 t -81.2 -63.2 1.45 Allowed 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.837 1.655 . . . . 0.0 112.298 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.41 -19.62 0.69 Allowed 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 116.192 1.923 . . . . 0.0 116.192 -158.347 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 mp -105.25 154.32 20.39 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 115.219 1.563 . . . . 0.0 115.219 -160.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.8 p -142.96 175.9 9.49 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.356 1.862 . . . . 0.0 109.42 178.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -133.46 153.88 51.26 Favored 'General case' 0 C--O 1.237 0.404 0 O-C-N 120.914 -1.116 . . . . 0.0 109.273 178.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 2.3 t -139.44 102.83 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.046 0 C-N-CA 125.968 1.707 . . . . 0.0 107.104 -173.348 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 4.3 p -56.67 146.66 55.35 Favored Pre-proline 0 N--CA 1.473 0.693 0 C-N-CA 124.62 1.168 . . . . 0.0 111.006 -173.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -59.59 -27.77 85.78 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 121.924 1.749 . . . . 0.0 114.002 -172.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -57.22 -65.14 0.67 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.581 1.152 . . . . 0.0 110.17 170.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 10.8 p -66.55 -26.81 67.3 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 118.585 0.629 . . . . 0.0 111.361 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.89 -39.76 90.49 Favored 'General case' 0 N--CA 1.438 -1.059 0 O-C-N 121.734 -0.604 . . . . 0.0 109.63 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 21.7 m -76.76 -47.38 21.89 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.802 1.641 . . . . 0.0 111.258 176.205 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.425 HD22 ' N ' ' B' ' 55' ' ' ASN . 0.9 OUTLIER -78.58 -15.83 58.1 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.15 0.98 . . . . 0.0 113.466 -169.736 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.246 0.908 0 C-N-CA 127.666 2.386 . . . . 0.0 109.321 -163.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 N--CA 1.439 -1.011 0 CA-C-O 117.683 -1.151 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.09 83.59 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 127.933 2.493 . . . . 0.0 112.981 -177.72 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.9 m170 -121.93 165.78 15.44 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.997 1.319 . . . . 0.0 109.885 -171.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.24 102.57 4.53 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 123.617 0.767 . . . . 0.0 109.314 -166.269 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.5 mt -89.31 100.17 10.39 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.239 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 173.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 tt -68.11 114.54 6.71 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 120.73 -1.231 . . . . 0.0 109.02 171.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.0 t -126.79 -170.52 2.22 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.664 1.586 . . . . 0.0 109.188 173.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.6 m -125.43 155.79 34.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 C-N-CA 123.7 0.8 . . . . 0.0 109.849 172.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.486 ' SG ' ' HA ' ' A' ' 48' ' ' VAL . 9.1 t -78.92 123.36 27.19 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 125.001 1.32 . . . . 0.0 109.304 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.6 t -67.41 -28.28 67.78 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.678 1.126 . . . . 0.0 112.61 -172.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.25 -16.92 28.41 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-N 119.035 0.834 . . . . 0.0 111.67 -172.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.476 ' HG ' ' HG ' ' A' ' 16' ' ' CYS . 16.8 p -140.98 2.52 1.74 Allowed 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 -172.007 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.8 t0 51.06 25.8 2.48 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 127.709 2.404 . . . . 0.0 113.621 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.37 146.05 31.25 Favored Glycine 0 C--N 1.339 0.727 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -66.49 120.23 13.03 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 125.384 1.473 . . . . 0.0 108.7 176.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.5 mt -123.38 112.12 32.19 Favored 'Isoleucine or valine' 0 C--N 1.341 0.209 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 175.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -80.0 86.98 5.43 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 168.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.6 mt -68.42 96.07 0.66 Allowed 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -171.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.0 m -84.03 103.71 13.49 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 -178.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.467 HG12 ' CZ ' ' B' ' 47' ' ' PHE . 3.3 m -119.33 148.82 22.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 105.682 -1.97 . . . . 0.0 105.682 178.176 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -120.99 82.21 1.89 Allowed 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 -161.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 t -155.66 169.02 25.29 Favored 'General case' 0 C--N 1.345 0.381 0 C-N-CA 123.118 0.567 . . . . 0.0 112.261 -170.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.4 m -62.39 150.95 38.33 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.117 0.567 . . . . 0.0 109.834 175.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.12 -44.6 87.82 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -171.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -69.52 -31.73 70.15 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -69.19 -47.25 65.41 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.544 1.138 . . . . 0.0 108.847 176.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.62 -42.6 67.9 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 126.909 2.084 . . . . 0.0 111.661 170.439 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -71.88 -45.5 61.06 Favored 'General case' 0 CA--C 1.507 -0.684 0 C-N-CA 126.814 2.045 . . . . 0.0 108.55 -175.222 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.5 m -55.39 -49.85 71.26 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 173.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.5 -40.07 68.17 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.727 1.211 . . . . 0.0 111.878 171.001 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -65.33 -35.03 79.73 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 120.78 -1.2 . . . . 0.0 109.48 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -69.54 -31.74 70.13 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 119.71 1.141 . . . . 0.0 110.735 175.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.6 mt -58.69 -49.63 76.85 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 119.164 0.893 . . . . 0.0 109.838 168.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.09 -42.54 94.86 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 122.635 0.374 . . . . 0.0 111.362 177.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.87 -38.5 85.81 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.004 1.322 . . . . 0.0 110.599 175.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.6 t -67.18 -62.44 1.43 Allowed 'General case' 0 C--N 1.342 0.24 0 C-N-CA 123.85 0.86 . . . . 0.0 110.443 177.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.3 p -151.78 -30.08 0.17 Allowed 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.834 1.254 . . . . 0.0 114.361 -167.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mp -76.24 151.61 36.77 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -162.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.9 p -146.3 172.59 13.25 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 122.43 1.109 . . . . 0.0 110.896 170.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.447 ' CD2' HG12 ' B' ' 27' ' ' VAL . 16.5 t80 -118.77 151.57 37.79 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 106.093 -1.817 . . . . 0.0 106.093 -178.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.523 ' HB ' ' SG ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -119.49 108.06 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 O-C-N 124.081 0.863 . . . . 0.0 108.913 169.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.5 p -52.42 147.51 14.05 Favored Pre-proline 0 CA--C 1.535 0.371 0 C-N-CA 125.087 1.355 . . . . 0.0 110.363 -175.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -58.59 -28.44 85.92 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 121.699 1.599 . . . . 0.0 112.932 -176.215 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -53.4 -61.44 2.3 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.225 1.01 . . . . 0.0 110.605 166.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.523 ' SG ' ' HB ' ' A' ' 48' ' ' VAL . 0.5 OUTLIER -68.41 -30.76 69.74 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 118.897 -0.573 . . . . 0.0 111.558 -175.45 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.74 -33.89 76.63 Favored 'General case' 0 N--CA 1.446 -0.667 0 O-C-N 123.64 0.587 . . . . 0.0 110.839 176.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.1 m -77.11 -43.59 33.58 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.054 0.942 . . . . 0.0 110.816 176.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.4 m120 . . . . . 0 N--CA 1.473 0.708 0 CA-C-N 118.448 0.567 . . . . 0.0 111.357 179.479 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo . . . . . 0 CA--C 1.538 0.686 0 CA-C-O 121.72 0.633 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -130.31 -76.75 0.54 Allowed 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 125.788 1.635 . . . . 0.0 108.249 -175.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -55.16 92.55 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.879 2.072 . . . . 0.0 111.474 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -120.2 168.55 11.11 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.392 1.077 . . . . 0.0 110.341 -174.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -136.53 87.43 2.29 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 124.39 1.076 . . . . 0.0 108.66 -163.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 27.9 mt -82.64 100.07 6.06 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 177.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 tt -68.72 110.72 4.44 Favored 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 121.137 -0.977 . . . . 0.0 108.906 173.092 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 89.0 m -120.43 -172.65 2.41 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.906 1.282 . . . . 0.0 109.089 170.144 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -115.0 152.94 16.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 164.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 44.0 t -67.14 130.36 42.85 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 170.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 10.0 t -52.77 -33.18 47.36 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.939 0.896 . . . . 0.0 113.315 -177.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.71 -18.41 8.99 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -170.181 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 m -90.14 -19.01 24.77 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 118.549 -0.738 . . . . 0.0 111.597 168.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 26.9 t0 46.08 37.68 4.06 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.958 1.703 . . . . 0.0 111.488 -166.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -112.96 147.21 18.48 Favored Glycine 0 C--N 1.339 0.728 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 -176.053 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -61.18 111.59 1.78 Allowed 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 127.321 2.249 . . . . 0.0 109.714 -173.324 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 34.0 mt -107.99 116.62 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 169.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -80.09 88.45 5.4 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 165.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.4 mt -65.88 99.31 0.47 Allowed 'General case' 0 C--N 1.342 0.262 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -174.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.435 HG22 HG23 ' A' ' 48' ' ' VAL 0.256 1.2 m -86.69 88.13 7.6 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 -173.91 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.447 HG12 ' CD2' ' A' ' 47' ' ' PHE . 6.5 m -116.56 113.05 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 -172.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -69.54 97.58 1.04 Allowed 'General case' 0 C--O 1.233 0.226 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 170.334 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.0 m -160.25 117.54 2.51 Favored 'General case' 0 N--CA 1.435 -1.217 0 O-C-N 120.779 -1.201 . . . . 0.0 110.305 -159.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 11.2 m -61.99 140.01 58.37 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 124.874 1.27 . . . . 0.0 108.055 -170.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.75 -44.06 27.75 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -165.075 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -80.85 -28.16 36.17 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 122.02 0.914 . . . . 0.0 111.873 -172.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -73.02 -42.98 62.62 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 125.014 1.326 . . . . 0.0 108.956 172.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.434 ' HA ' HD23 ' B' ' 37' ' ' LEU . 0.3 OUTLIER -57.67 -39.13 76.4 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 125.733 1.613 . . . . 0.0 111.034 172.225 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -68.0 -46.05 72.38 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 126.337 1.855 . . . . 0.0 108.727 177.238 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 33.8 m -56.61 -47.87 78.71 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 173.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -55.69 -39.84 71.56 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.572 1.549 . . . . 0.0 111.23 170.725 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -66.15 -31.13 71.8 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.513 -1.367 . . . . 0.0 109.495 177.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -72.45 -34.06 67.49 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 121.104 -0.998 . . . . 0.0 110.296 173.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 64.5 mt -61.06 -35.24 76.42 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.711 1.141 . . . . 0.0 110.59 167.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.65 -50.11 73.84 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 124.665 1.186 . . . . 0.0 109.871 175.32 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 58.0 mt -65.09 -31.68 73.01 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.006 0.922 . . . . 0.0 112.197 175.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 12.1 t -63.93 -55.26 23.88 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 125.34 1.456 . . . . 0.0 110.225 176.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 18.6 m -165.35 -31.16 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.145 0.978 . . . . 0.0 113.004 -175.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.3 tt -66.25 108.05 2.17 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 119.555 1.07 . . . . 0.0 112.17 -163.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.6 p -87.3 172.78 9.61 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 122.32 1.057 . . . . 0.0 108.291 160.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' PHE . . . . . 0.467 ' CZ ' HG12 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -131.21 147.62 52.62 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 124.103 0.961 . . . . 0.0 109.443 -177.119 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 10.5 t -142.44 102.09 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.93 0 C-N-CA 126.231 1.812 . . . . 0.0 106.794 -165.023 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 5.2 p -59.62 152.5 56.35 Favored Pre-proline 0 CA--C 1.54 0.567 0 C-N-CA 124.258 1.023 . . . . 0.0 110.996 -176.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -60.54 -25.76 81.36 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 122.471 2.114 . . . . 0.0 113.534 -173.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 21.9 t90 -57.06 -65.15 0.67 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.754 1.622 . . . . 0.0 110.085 172.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 30.4 p -70.45 -23.86 62.79 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 118.516 0.598 . . . . 0.0 111.966 177.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.35 94.27 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 119.262 -0.975 . . . . 0.0 109.181 178.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 23.2 m -73.91 -52.32 13.3 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.175 2.19 . . . . 0.0 111.374 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -102.72 -14.71 16.56 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -163.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 C--O 1.252 1.191 0 CA-C-O 115.246 -2.311 . . . . 0.0 110.438 -159.075 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 . . . . . 0 N--CA 1.451 -0.421 0 CA-C-O 118.536 -0.745 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -57.31 92.07 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.98 1.712 . . . . 0.0 110.505 178.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -126.09 144.4 50.74 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 124.475 1.11 . . . . 0.0 109.694 -168.026 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -125.35 89.9 3.13 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.356 0.663 . . . . 0.0 109.97 -158.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.0 mt -83.79 104.56 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 106.412 -1.699 . . . . 0.0 106.412 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.8 tt -65.91 113.33 4.31 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 120.815 -1.178 . . . . 0.0 108.674 168.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.3 t -117.49 -175.94 2.92 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.999 1.72 . . . . 0.0 108.729 172.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.3 m -118.87 162.45 16.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 C-N-CA 123.882 0.873 . . . . 0.0 108.933 161.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.463 ' HG ' ' HG ' ' A' ' 52' ' ' CYS . 14.7 t -88.45 113.65 24.26 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 125.038 1.335 . . . . 0.0 109.29 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -78.31 6.24 8.73 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -171.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.67 -21.75 12.55 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 170.306 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.45 ' HG ' ' HG ' ' A' ' 16' ' ' CYS . 13.4 p -136.29 4.28 2.91 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -173.589 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.9 t0 46.11 41.91 9.1 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 127.885 2.474 . . . . 0.0 113.236 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.75 148.65 19.06 Favored Glycine 0 C--N 1.338 0.645 0 N-CA-C 109.082 -1.607 . . . . 0.0 109.082 171.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -64.53 131.32 46.73 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 169.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.1 mt -127.63 119.77 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 171.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -77.69 109.91 12.09 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 159.62 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.4 mt -87.95 94.38 9.76 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.096 0.958 . . . . 0.0 108.919 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.0 m -74.73 115.41 14.28 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 165.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.412 HG12 ' CE2' ' B' ' 47' ' ' PHE . 3.7 m -126.0 137.82 56.51 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 103.666 -2.716 . . . . 0.0 103.666 170.202 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -100.52 96.28 7.28 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 104.449 -2.426 . . . . 0.0 104.449 -168.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.1 m -153.0 132.69 13.1 Favored 'General case' 0 N--CA 1.444 -0.764 0 O-C-N 120.991 -1.068 . . . . 0.0 112.39 -158.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.5 m -59.58 142.88 51.8 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.531 0.732 . . . . 0.0 109.114 176.088 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.21 -35.69 60.17 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 -163.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -100.44 -15.89 17.77 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -174.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -68.65 -41.03 79.95 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 160.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.585 ' HA ' HD23 ' A' ' 37' ' ' LEU . 6.5 tt -61.81 -45.26 94.62 Favored 'General case' 0 C--N 1.345 0.37 0 C-N-CA 125.004 1.321 . . . . 0.0 110.439 172.256 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -56.68 -49.23 75.73 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.023 1.329 . . . . 0.0 108.768 175.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.4 m -56.81 -52.22 65.91 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 123.351 0.66 . . . . 0.0 109.887 177.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.585 HD23 ' HA ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -59.93 -31.61 70.01 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-O 121.183 0.516 . . . . 0.0 111.015 176.184 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -72.74 -25.68 61.29 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 120.18 -1.575 . . . . 0.0 111.058 175.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -71.48 -32.76 68.64 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 119.947 1.248 . . . . 0.0 109.664 170.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.7 mt -55.43 -50.02 70.91 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.308 0.504 . . . . 0.0 110.68 163.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -57.88 -42.91 85.57 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 118.361 0.528 . . . . 0.0 111.411 177.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 tt -61.03 -30.59 70.4 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.855 1.262 . . . . 0.0 112.024 174.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.3 t -70.79 -70.3 0.31 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.024 0.829 . . . . 0.0 110.413 175.077 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.9 p -145.0 -14.67 0.52 Allowed 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.443 HD11 ' OD2' ' B' ' 33' ' ' ASP . 5.8 mp -76.86 147.04 37.34 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 121.829 0.823 . . . . 0.0 112.857 -158.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.6 p -145.7 176.59 9.52 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 124.785 1.234 . . . . 0.0 109.229 172.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -117.91 156.06 29.11 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 -178.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.713 HG23 HG22 ' B' ' 26' ' ' THR . 1.9 m -126.73 102.5 9.68 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.305 0 C-N-CA 124.372 1.069 . . . . 0.0 108.287 173.492 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.5 p -48.31 149.24 2.79 Favored Pre-proline 0 CA--C 1.536 0.432 0 C-N-CA 127.749 2.42 . . . . 0.0 111.078 -175.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -57.38 -27.71 76.96 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.604 2.203 . . . . 0.0 114.241 -173.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -53.5 -60.72 2.94 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.435 1.094 . . . . 0.0 110.569 166.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.597 ' SG ' ' HB ' ' A' ' 48' ' ' VAL . 0.5 OUTLIER -76.86 -19.56 57.34 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.875 0.87 . . . . 0.0 111.685 -175.371 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.47 -50.81 72.07 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 168.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 20.4 m -71.43 -48.26 50.7 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.334 1.853 . . . . 0.0 111.63 -177.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.474 0.73 0 C-N-CA 123.14 0.576 . . . . 0.0 110.879 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo . . . . . 0 CA--C 1.542 0.898 0 N-CA-C 109.72 -0.915 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -143.48 -70.65 0.31 Allowed 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 117.526 -1.226 . . . . 0.0 109.668 -167.645 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -53.7 90.38 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.862 1.664 . . . . 0.0 112.317 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 54.5 m170 -126.29 176.39 7.13 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 126.088 1.755 . . . . 0.0 110.739 -168.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.515 ' HG3' HG23 ' B' ' 26' ' ' THR . 0.0 OUTLIER -143.16 103.5 4.15 Favored 'General case' 0 C--N 1.34 0.187 0 C-N-CA 124.404 1.082 . . . . 0.0 110.041 -164.466 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 56.3 mt -90.09 101.93 12.74 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.286 0 N-CA-C 106.708 -1.589 . . . . 0.0 106.708 168.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 tt -68.4 118.36 11.37 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 120.532 -1.355 . . . . 0.0 108.972 172.057 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 14.9 t -124.46 -177.25 3.74 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 127.082 2.153 . . . . 0.0 108.183 174.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.3 m -114.85 160.9 13.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 159.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' CYS . . . . . 0.415 ' SG ' ' SG ' ' B' ' 52' ' ' CYS . 20.9 t -72.15 131.98 43.53 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 123.598 0.759 . . . . 0.0 109.235 170.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 9.2 t -55.18 -37.48 67.1 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.66 1.184 . . . . 0.0 112.217 -177.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -107.59 -16.81 14.26 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -173.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.0 m -101.67 -17.72 16.18 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 119.112 0.869 . . . . 0.0 112.104 178.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 25.3 t0 49.59 27.46 2.14 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.706 1.602 . . . . 0.0 111.978 -165.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.54 145.0 17.64 Favored Glycine 0 C--N 1.339 0.726 0 N-CA-C 109.384 -1.486 . . . . 0.0 109.384 -175.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -62.23 113.96 3.18 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 126.418 1.887 . . . . 0.0 109.074 -175.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 10.7 mt -117.28 114.44 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 171.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -75.98 92.32 3.13 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 166.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.6 mt -70.29 96.8 1.15 Allowed 'General case' 0 C--N 1.343 0.313 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 -174.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' THR . . . . . 0.713 HG22 HG23 ' A' ' 48' ' ' VAL 0.262 10.3 m -90.39 98.77 11.97 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 105.285 -2.117 . . . . 0.0 105.285 -169.912 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 19.8 m -121.97 118.43 55.53 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 C-N-CA 126.625 1.97 . . . . 0.0 105.687 -171.071 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.14 102.91 2.18 Favored 'General case' 0 C--O 1.231 0.106 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 169.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 71.1 m -160.39 135.59 7.93 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 124.349 1.06 . . . . 0.0 109.858 -160.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 21.1 m -71.45 143.76 49.97 Favored 'General case' 0 C--O 1.223 -0.323 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -177.165 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.66 -39.42 36.3 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 -164.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -98.36 -12.84 21.05 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -174.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' ASP . . . . . 0.443 ' OD2' HD11 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -72.8 -36.9 67.68 Favored 'General case' 0 N--CA 1.442 -0.87 0 O-C-N 121.491 -0.755 . . . . 0.0 109.312 159.506 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.438 ' HA ' HD23 ' B' ' 37' ' ' LEU . 1.0 OUTLIER -64.03 -41.83 97.29 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 125.027 1.331 . . . . 0.0 109.309 172.514 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -57.55 -51.7 68.39 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 124.585 1.154 . . . . 0.0 108.121 170.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 66.8 m -58.49 -48.62 80.18 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.321 0.51 . . . . 0.0 110.548 -179.013 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.2 OUTLIER -68.78 -25.47 64.72 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.192 0.906 . . . . 0.0 111.502 178.889 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -67.02 -38.37 85.81 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.173 -0.954 . . . . 0.0 109.274 168.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -66.87 -30.25 70.37 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.652 173.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 48.8 mt -60.88 -49.1 78.81 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-N 119.696 1.134 . . . . 0.0 109.922 168.119 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -57.0 -41.09 77.82 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.587 1.085 . . . . 0.0 111.438 174.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 9.7 tt -65.01 -37.96 89.35 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.087 0.955 . . . . 0.0 111.884 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 8.8 t -73.66 -61.77 1.72 Allowed 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 126.922 2.089 . . . . 0.0 111.864 -178.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.65 -35.21 0.46 Allowed 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 125.116 1.366 . . . . 0.0 114.43 -158.258 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mp -91.36 160.89 15.25 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -160.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.5 p -140.82 175.68 9.42 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 125.449 1.499 . . . . 0.0 109.095 174.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' PHE . . . . . 0.412 ' CE2' HG12 ' A' ' 27' ' ' VAL . 5.0 t80 -129.78 148.11 51.62 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 121.158 -0.964 . . . . 0.0 109.503 177.369 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 2.3 t -141.89 107.76 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.131 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 -174.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 1.6 p -57.32 141.44 77.66 Favored Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 123.946 0.899 . . . . 0.0 109.928 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -62.74 -24.75 74.74 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 121.369 1.379 . . . . 0.0 113.465 -171.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -54.09 -66.69 0.35 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.986 1.314 . . . . 0.0 109.807 167.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.415 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 3.1 p -66.54 -22.34 66.16 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 117.741 0.246 . . . . 0.0 111.491 -178.215 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.48 87.34 Favored 'General case' 0 N--CA 1.438 -1.063 0 C-N-CA 121.074 -0.251 . . . . 0.0 110.955 177.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 22.5 m -89.49 -37.75 14.53 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.314 1.846 . . . . 0.0 111.18 -174.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.45 -40.27 96.06 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.482 0.583 . . . . 0.0 109.495 169.162 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 129.74 3.216 . . . . 0.0 111.644 175.68 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.209 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -69.19 158.41 34.99 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 117.765 0.782 . . . . 0.0 109.403 168.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -158.02 166.85 31.49 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.25 1.82 . . . . 0.0 106.753 170.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 58.5 ttp -79.49 154.2 29.04 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.2 -0.666 . . . . 0.0 109.2 168.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.57 160.61 39.64 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 106.665 -1.605 . . . . 0.0 106.665 160.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -140.97 154.46 68.43 Favored Pre-proline 0 C--O 1.239 0.507 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 -177.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -76.55 64.36 7.36 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.726 2.951 . . . . 0.0 110.739 -178.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -129.58 -71.46 0.62 Allowed 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.311 1.444 . . . . 0.0 107.996 -176.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.52 90.77 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 125.789 1.636 . . . . 0.0 111.216 178.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.0 m170 -121.51 162.8 19.9 Favored 'General case' 0 C--O 1.227 -0.119 0 C-N-CA 124.602 1.161 . . . . 0.0 109.112 -175.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -136.68 94.18 2.96 Favored 'General case' 0 N--CA 1.453 -0.325 0 O-C-N 122.15 -0.344 . . . . 0.0 110.664 -158.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.8 mt -83.79 95.51 3.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 105.39 -2.078 . . . . 0.0 105.39 171.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.79 100.0 3.91 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 173.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.3 t -112.91 -167.71 1.22 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.641 1.576 . . . . 0.0 109.588 -173.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.3 m -127.45 155.79 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.276 1.03 . . . . 0.0 109.284 171.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.443 ' SG ' ' HA ' ' A' ' 48' ' ' VAL . 16.4 t -83.62 131.33 34.97 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 124.889 1.276 . . . . 0.0 109.666 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.9 t -70.1 -29.97 67.06 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -171.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.44 -19.92 20.8 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-N 119.13 0.877 . . . . 0.0 111.88 -173.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.9 p -130.32 -0.89 4.52 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -173.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.6 t0 50.29 25.97 2.05 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.848 2.059 . . . . 0.0 113.021 -177.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.03 146.59 24.14 Favored Glycine 0 C--N 1.34 0.798 0 N-CA-C 108.343 -1.903 . . . . 0.0 108.343 178.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.43 135.11 54.81 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 107.621 -1.252 . . . . 0.0 107.621 176.059 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.7 mt -126.53 123.49 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 172.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.5 104.99 4.66 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 160.138 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.9 mt -89.23 87.14 7.03 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 172.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 92.8 m -71.11 103.63 2.81 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 119.136 -1.026 . . . . 0.0 108.358 164.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.466 HG12 ' CE2' ' B' ' 47' ' ' PHE . 6.7 m -112.71 124.84 69.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 N-CA-C 104.074 -2.565 . . . . 0.0 104.074 175.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -91.87 84.48 5.38 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 103.518 -2.771 . . . . 0.0 103.518 -169.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.9 m -147.98 129.95 15.33 Favored 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 124.215 1.006 . . . . 0.0 110.488 -158.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.6 m -58.5 144.89 40.88 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-O 118.471 -0.776 . . . . 0.0 109.017 -175.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.48 -38.61 44.91 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -163.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -96.33 -15.02 22.13 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -175.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -71.28 -40.23 71.05 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 162.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.453 ' HA ' HD23 ' A' ' 37' ' ' LEU . 3.2 tt -58.95 -46.9 86.9 Favored 'General case' 0 C--O 1.223 -0.298 0 C-N-CA 124.638 1.175 . . . . 0.0 109.432 171.074 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -56.24 -51.95 66.25 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.818 1.247 . . . . 0.0 108.53 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 91.3 m -54.82 -53.95 48.58 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.838 1.255 . . . . 0.0 110.077 178.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -64.44 -28.41 69.65 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 121.677 -0.639 . . . . 0.0 111.072 179.446 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -73.07 -24.63 60.69 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 120.517 -1.364 . . . . 0.0 111.134 172.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -69.59 -36.49 76.28 Favored 'General case' 0 N--CA 1.454 -0.275 0 O-C-N 120.889 -1.132 . . . . 0.0 109.523 166.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.6 mt -62.19 -34.99 77.51 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 118.852 0.751 . . . . 0.0 111.106 171.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -60.37 -54.6 43.67 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 118.891 0.769 . . . . 0.0 109.93 169.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.0 mt -61.16 -27.3 68.3 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.735 0.814 . . . . 0.0 112.406 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.2 t -68.54 -68.34 0.4 Allowed 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 126.07 1.748 . . . . 0.0 110.072 170.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.2 p -147.38 -34.04 0.26 Allowed 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -170.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.2 tt -69.28 137.38 52.99 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 117.997 0.362 . . . . 0.0 111.377 -161.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.5 p -118.89 171.03 8.52 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.561 0.744 . . . . 0.0 109.051 159.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.426 ' CE2' HG12 ' B' ' 27' ' ' VAL . 9.5 t80 -113.38 153.28 28.81 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 173.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.443 ' HA ' ' SG ' ' A' ' 16' ' ' CYS 0.322 0.4 OUTLIER -135.37 107.35 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 N-CA-C 107.599 -1.259 . . . . 0.0 107.599 179.129 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 p -56.27 143.49 64.64 Favored Pre-proline 0 CA--C 1.535 0.394 0 C-N-CA 125.15 1.38 . . . . 0.0 110.672 -167.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -61.98 -26.73 78.92 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 121.615 1.543 . . . . 0.0 112.856 -172.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -56.94 -63.93 1.04 Allowed 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.735 0.814 . . . . 0.0 109.564 169.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.5 p -65.61 -31.32 72.29 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 118.875 -0.583 . . . . 0.0 110.798 -174.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.11 -37.38 83.8 Favored 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 123.604 0.565 . . . . 0.0 110.408 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 30.3 m -71.95 -41.35 67.89 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.108 0.963 . . . . 0.0 110.678 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -66.97 -41.98 85.92 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 122.924 0.489 . . . . 0.0 111.257 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 C--O 1.25 1.115 0 C-N-CA 128.131 2.572 . . . . 0.0 111.255 -166.686 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.985 0 N-CA-C 109.037 -1.625 . . . . 0.0 109.037 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 51.0 p -121.94 172.53 8.14 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 106.466 -1.679 . . . . 0.0 106.466 158.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 36.9 t60 57.57 -154.68 0.35 Allowed 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -158.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 32.3 ttp -153.78 -176.03 5.64 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.905 1.282 . . . . 0.0 107.567 177.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . 62.19 56.59 2.18 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 126.356 1.862 . . . . 0.0 111.508 176.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -95.2 145.49 29.63 Favored Pre-proline 0 CA--C 1.542 0.658 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -172.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -76.83 58.47 6.05 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 124.881 3.721 . . . . 0.0 112.459 -167.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -129.47 -52.51 1.17 Allowed 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 125.615 1.566 . . . . 0.0 110.092 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -62.25 93.47 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 120.331 1.423 . . . . 0.0 111.4 -172.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 42.9 m170 -126.87 175.58 7.93 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 125.296 1.438 . . . . 0.0 110.697 -166.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -143.81 98.27 3.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.233 1.013 . . . . 0.0 109.752 -160.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 55.6 mt -86.58 96.63 5.54 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.216 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 169.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 tt -66.06 108.28 2.18 Favored 'General case' 0 N--CA 1.448 -0.562 0 O-C-N 121.041 -1.037 . . . . 0.0 108.519 168.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.82 -166.81 1.33 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.874 1.269 . . . . 0.0 108.251 173.114 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 19.4 m -125.22 153.81 32.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 171.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' CYS . . . . . 1.13 ' SG ' 'ZN ' ' B' ' 57' ' ' ' ZN' . 21.8 t -71.14 132.14 44.61 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 171.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 49.6 t -54.2 -29.92 47.92 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.105 0.962 . . . . 0.0 112.934 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LYS . . . . . 0.42 ' HE2' ' HB3' ' B' ' 18' ' ' LYS . 10.2 ptpt -127.43 -22.35 3.68 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -166.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.2 m -82.16 -16.77 48.67 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.242 164.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 27.9 t0 45.6 44.95 10.59 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 125.657 1.583 . . . . 0.0 110.737 -170.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.88 150.12 18.98 Favored Glycine 0 C--N 1.338 0.666 0 C-N-CA 124.919 1.247 . . . . 0.0 110.323 -171.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.73 113.92 2.5 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 127.581 2.352 . . . . 0.0 109.451 -176.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 9.6 mt -112.04 119.19 59.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 167.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -85.96 86.99 7.34 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 124.871 1.268 . . . . 0.0 108.621 173.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 60.8 mt -70.52 96.71 1.21 Allowed 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 -170.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 5.7 m -84.65 91.46 7.93 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 -176.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.426 HG12 ' CE2' ' A' ' 47' ' ' PHE . 5.0 m -119.36 135.11 60.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 105.303 -2.11 . . . . 0.0 105.303 -173.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -114.11 94.17 4.69 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 107.316 -1.364 . . . . 0.0 107.316 -160.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -160.8 160.56 31.33 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 21.1 m -53.72 147.05 12.25 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.828 0.851 . . . . 0.0 109.977 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.27 -38.88 55.2 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 -166.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -83.45 -21.74 32.81 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -175.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -73.5 -41.24 63.35 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.494 1.118 . . . . 0.0 108.982 170.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' B' ' 37' ' ' LEU . 0.5 OUTLIER -55.93 -47.45 77.52 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.957 0.884 . . . . 0.0 109.969 168.431 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -62.94 -47.38 83.46 Favored 'General case' 0 CA--C 1.509 -0.625 0 C-N-CA 125.723 1.609 . . . . 0.0 108.83 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 85.8 m -54.65 -51.57 65.03 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 123.814 0.846 . . . . 0.0 109.273 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -62.34 -32.77 73.59 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.985 -0.447 . . . . 0.0 111.36 175.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -66.46 -29.93 70.16 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 120.596 -1.315 . . . . 0.0 110.761 173.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -69.82 -35.81 75.11 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 119.385 0.993 . . . . 0.0 109.421 174.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 24.6 mt -56.12 -46.63 79.08 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 118.519 0.599 . . . . 0.0 110.777 168.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -61.44 -45.55 93.83 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 122.162 -0.336 . . . . 0.0 111.125 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 35.3 mt -64.55 -26.7 68.53 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.666 0.787 . . . . 0.0 112.213 176.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 10.7 t -72.58 -61.67 1.72 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 119.06 0.846 . . . . 0.0 109.889 174.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 38.8 p -151.06 -28.57 0.2 Allowed 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 -167.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.72 149.86 34.51 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -159.13 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.36 168.79 16.38 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.162 1.385 . . . . 0.0 109.35 173.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' PHE . . . . . 0.466 ' CE2' HG12 ' A' ' 27' ' ' VAL . 10.3 t80 -122.25 151.84 40.65 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 172.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . 0.259 2.8 t -138.22 94.93 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.219 0 N-CA-C 105.183 -2.155 . . . . 0.0 105.183 -170.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 4.0 p -57.97 150.83 47.91 Favored Pre-proline 0 CA--C 1.536 0.438 0 C-N-CA 124.845 1.258 . . . . 0.0 110.685 -170.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.84 -24.73 73.5 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 121.737 1.625 . . . . 0.0 114.106 -170.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 20.1 t90 -57.62 -67.97 0.28 Allowed 'General case' 0 C--O 1.236 0.376 0 C-N-CA 125.423 1.489 . . . . 0.0 110.542 171.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.402 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 26.1 p -65.06 -29.77 70.68 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 118.628 0.649 . . . . 0.0 111.441 177.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.27 -37.46 87.35 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 119.606 -0.838 . . . . 0.0 111.062 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 36.0 m -72.81 -52.02 16.58 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.89 1.676 . . . . 0.0 110.618 175.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -75.28 -26.74 59.01 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.729 0.641 . . . . 0.0 112.729 -171.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 . . . . . 0 C--O 1.253 1.244 0 C-N-CA 127.645 2.378 . . . . 0.0 110.624 -167.669 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ' ZN' . . . . . 1.13 'ZN ' ' SG ' ' B' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.29 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -65.58 85.51 0.07 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.993 0.917 . . . . 0.0 109.291 168.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -147.12 35.46 0.9 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.511 1.124 . . . . 0.0 110.51 174.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 10.9 ttp -162.38 28.23 0.11 Allowed 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 159.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.413 ' H ' ' CD ' ' A' ' 6' ' ' GLU . . . -139.67 24.25 2.43 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.549 1.539 . . . . 0.0 112.46 179.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.413 ' CD ' ' H ' ' A' ' 5' ' ' ALA . 18.9 mp0 -97.58 154.23 38.02 Favored Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 123.585 0.754 . . . . 0.0 110.089 -168.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -74.77 58.07 4.61 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 124.703 3.602 . . . . 0.0 111.888 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -127.56 -52.02 1.37 Allowed 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 126.441 1.897 . . . . 0.0 109.841 174.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -63.37 91.75 0.05 Allowed 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 120.453 1.479 . . . . 0.0 111.067 -171.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.1 m170 -127.1 161.58 28.11 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 123.339 0.656 . . . . 0.0 110.849 -166.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -137.39 97.12 3.39 Favored 'General case' 0 C--N 1.339 0.123 0 C-N-CA 125.261 1.424 . . . . 0.0 109.08 -165.402 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.6 mt -89.75 101.01 11.74 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.26 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 176.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 tt -67.6 118.74 11.3 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 120.511 -1.368 . . . . 0.0 109.257 173.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.8 t -124.03 -173.4 2.75 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 125.963 1.705 . . . . 0.0 108.294 169.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.7 m -123.4 155.26 29.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 169.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.2 t -67.59 125.8 27.32 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.8 t -58.34 -22.99 55.34 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -174.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.507 ' HE2' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -121.79 -20.92 6.26 Favored 'General case' 0 C--N 1.343 0.289 0 N-CA-C 115.224 1.565 . . . . 0.0 115.224 -173.094 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.8 p -114.71 -0.45 13.57 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.936 1.244 . . . . 0.0 113.064 173.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.5 t0 54.23 25.0 5.37 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.373 1.869 . . . . 0.0 113.162 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.77 150.38 36.07 Favored Glycine 0 C--N 1.339 0.715 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -65.39 110.37 2.62 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 124.881 1.272 . . . . 0.0 108.626 176.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.6 mt -118.58 106.0 18.76 Favored 'Isoleucine or valine' 0 C--N 1.341 0.206 0 CA-C-O 122.609 1.195 . . . . 0.0 108.5 174.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -76.21 89.5 3.1 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.151 1.38 . . . . 0.0 108.654 170.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.5 mt -69.03 91.88 0.5 Allowed 'General case' 0 C--O 1.234 0.269 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 -172.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.9 m -86.95 108.8 18.98 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 105.503 -2.036 . . . . 0.0 105.503 -174.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.8 m -125.61 123.12 63.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 104.336 -2.468 . . . . 0.0 104.336 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.461 ' HG3' HG22 ' B' ' 48' ' ' VAL . 4.7 mt-10 -83.97 94.19 8.22 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 105.14 -2.17 . . . . 0.0 105.14 174.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.58 154.11 33.64 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 122.806 0.443 . . . . 0.0 111.303 177.273 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.2 m -53.78 147.23 12.15 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.223 1.409 . . . . 0.0 110.35 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.1 -43.42 82.21 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.777 -0.577 . . . . 0.0 112.543 -170.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.45 -30.96 66.64 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -68.33 -48.89 63.68 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 125.345 1.458 . . . . 0.0 108.383 176.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.76 -41.25 73.73 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 126.949 2.099 . . . . 0.0 111.896 171.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -69.57 -46.75 65.65 Favored 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 127.09 2.156 . . . . 0.0 108.542 -177.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.0 m -55.08 -50.59 68.78 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 174.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.42 -42.99 61.87 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.097 1.359 . . . . 0.0 111.462 169.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -66.64 -31.19 71.71 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 120.532 -1.355 . . . . 0.0 110.653 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -69.66 -35.43 75.16 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 118.734 0.697 . . . . 0.0 109.779 173.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.3 mt -57.36 -44.26 84.2 Favored 'General case' 0 C--N 1.344 0.34 0 CA-C-O 118.724 -0.655 . . . . 0.0 109.543 169.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -63.73 -41.72 98.01 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 119.178 0.899 . . . . 0.0 111.609 177.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.7 mt -64.85 -24.44 67.54 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.388 0.675 . . . . 0.0 112.285 174.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.6 t -88.68 -65.28 1.03 Allowed 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 126.041 1.737 . . . . 0.0 112.37 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.11 -18.21 0.4 Allowed 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 116.426 2.009 . . . . 0.0 116.426 -158.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.59 145.53 24.36 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.387 1.075 . . . . 0.0 113.265 -171.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.3 p -137.17 173.27 11.87 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.923 1.689 . . . . 0.0 109.505 167.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -128.03 158.31 38.28 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 122.253 1.025 . . . . 0.0 109.835 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.507 HG11 ' HE2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -149.05 109.03 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.127 0 C-N-CA 126.247 1.819 . . . . 0.0 107.588 -167.675 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.9 p -61.22 159.87 26.74 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 123.8 0.84 . . . . 0.0 110.995 -177.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -60.42 -25.52 80.62 Favored 'Trans proline' 0 CA--C 1.536 0.624 0 C-N-CA 122.34 2.027 . . . . 0.0 113.292 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -60.39 -48.6 81.04 Favored 'General case' 0 C--N 1.342 0.241 0 O-C-N 121.933 -0.479 . . . . 0.0 110.162 170.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 80.1 m -72.58 -28.18 62.64 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 123.275 0.63 . . . . 0.0 112.471 176.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.58 -34.73 73.09 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.1 0.864 . . . . 0.0 110.85 168.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.2 m -85.72 -44.12 12.81 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.151 1.38 . . . . 0.0 112.058 -177.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -111.11 -13.11 14.09 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.462 1.105 . . . . 0.0 113.33 -165.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 . . . . . 0 C--O 1.249 1.042 0 C-N-CA 125.709 1.604 . . . . 0.0 110.591 -159.723 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.166 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -69.48 103.04 1.94 Allowed 'General case' 0 C--O 1.235 0.318 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 174.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -140.4 152.16 45.51 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.975 1.31 . . . . 0.0 108.421 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 26.4 ttm -160.91 38.67 0.15 Allowed 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.444 1.097 . . . . 0.0 110.45 166.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -118.77 20.7 12.78 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 128.41 2.684 . . . . 0.0 113.577 -167.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -87.37 157.02 53.67 Favored Pre-proline 0 C--N 1.326 -0.448 0 C-N-CA 124.159 0.984 . . . . 0.0 110.192 -165.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -74.97 54.26 3.57 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 124.407 3.405 . . . . 0.0 111.075 176.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -123.93 -73.75 0.63 Allowed 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 127.983 2.513 . . . . 0.0 107.458 -177.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.72 93.4 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 126.543 1.937 . . . . 0.0 111.134 -173.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 47.8 m170 -125.85 162.57 24.85 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 126.009 1.723 . . . . 0.0 109.123 -171.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.41 93.5 2.82 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.653 0.781 . . . . 0.0 108.954 -165.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 35.9 mt -81.76 101.88 7.06 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.266 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 176.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.8 tt -67.91 113.1 5.35 Favored 'General case' 0 N--CA 1.447 -0.603 0 O-C-N 120.971 -1.081 . . . . 0.0 108.772 172.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 44.0 m -122.91 -171.46 2.3 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.654 1.582 . . . . 0.0 109.1 172.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 31.4 m -113.76 160.67 13.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 160.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' CYS . . . . . 1.142 ' SG ' 'ZN ' ' B' ' 57' ' ' ' ZN' . 38.9 t -64.84 134.11 53.37 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 168.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 44.7 t -51.47 -37.06 46.99 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.117 1.767 . . . . 0.0 112.008 175.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.26 -25.13 3.28 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -169.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.9 m -85.89 -11.28 53.64 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 118.364 -0.827 . . . . 0.0 111.617 171.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 30.7 t0 41.47 48.78 3.45 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 127.231 2.212 . . . . 0.0 112.167 -178.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.63 154.22 20.32 Favored Glycine 0 C--N 1.336 0.571 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -60.47 121.0 11.02 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 126.502 1.921 . . . . 0.0 109.169 -173.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 22.8 mt -120.37 127.1 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 168.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -88.87 87.76 7.35 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 170.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 61.7 mt -68.8 97.8 0.86 Allowed 'General case' 0 C--O 1.235 0.318 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -169.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 31.5 m -86.49 100.83 12.65 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 -173.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 15.1 m -122.94 137.23 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 N-CA-C 106.094 -1.817 . . . . 0.0 106.094 178.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -89.12 107.13 18.88 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 106.035 -1.839 . . . . 0.0 106.035 174.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 64.1 m -157.86 132.05 8.17 Favored 'General case' 0 N--CA 1.443 -0.79 0 O-C-N 121.529 -0.732 . . . . 0.0 109.813 -163.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 69.1 m -62.5 149.18 43.58 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 173.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.2 -44.38 71.55 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.189 0.904 . . . . 0.0 113.027 -169.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -78.89 -20.98 48.11 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.737 0.815 . . . . 0.0 112.087 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -75.0 -42.11 58.15 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.948 1.299 . . . . 0.0 108.546 173.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.448 ' HA ' HD23 ' B' ' 37' ' ' LEU . 0.6 OUTLIER -61.18 -38.69 87.4 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 126.756 2.022 . . . . 0.0 110.972 171.327 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -66.12 -45.9 79.48 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 127.043 2.137 . . . . 0.0 108.86 175.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 60.6 m -57.8 -49.49 76.44 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 174.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -55.74 -37.45 68.49 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.562 1.145 . . . . 0.0 111.662 170.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -68.28 -30.25 69.22 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 120.156 -1.59 . . . . 0.0 109.826 177.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -71.49 -35.67 70.86 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 120.877 -1.14 . . . . 0.0 109.89 172.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 79.7 mt -61.39 -32.28 72.21 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 118.284 0.493 . . . . 0.0 110.857 169.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -64.71 -48.57 74.17 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 125.131 1.373 . . . . 0.0 110.413 173.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 53.3 mt -64.47 -29.16 70.21 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.241 1.017 . . . . 0.0 112.255 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.5 t -63.62 -77.75 0.05 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.581 1.952 . . . . 0.0 109.739 169.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 24.0 p -141.24 -26.39 0.71 Allowed 'General case' 0 C--O 1.236 0.391 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 176.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.93 100.23 0.11 Allowed 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 123.829 0.852 . . . . 0.0 113.108 -159.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 14.2 m -107.36 153.21 23.1 Favored 'General case' 0 N--CA 1.434 -1.248 0 N-CA-C 105.966 -1.864 . . . . 0.0 105.966 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -115.15 152.84 31.89 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 123.044 1.402 . . . . 0.0 111.24 -166.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.461 HG22 ' HG3' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -141.52 101.1 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 C-N-CA 127.619 2.367 . . . . 0.0 105.171 -157.918 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 p -62.07 161.35 24.11 Favored Pre-proline 0 CA--C 1.542 0.671 0 C-N-CA 122.782 0.433 . . . . 0.0 110.268 176.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.24 -23.78 31.38 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 122.208 1.939 . . . . 0.0 115.308 -177.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 14.6 t90 -61.3 -65.69 0.65 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.05 0.94 . . . . 0.0 110.903 172.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.436 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 0.7 OUTLIER -64.78 -20.93 66.64 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 118.447 0.567 . . . . 0.0 112.48 175.772 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.96 93.13 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 118.274 -1.37 . . . . 0.0 109.573 171.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 17.2 m -77.2 -20.81 54.84 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.554 1.541 . . . . 0.0 112.735 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -119.57 -11.7 9.41 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 120.613 1.552 . . . . 0.0 114.228 -171.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 . . . . . 0 C--O 1.247 0.934 0 C-N-CA 125.363 1.465 . . . . 0.0 109.853 -159.318 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ' ZN' . . . . . 1.142 'ZN ' ' SG ' ' B' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.197 0 N-CA-C 109.981 -1.247 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 m -166.12 173.45 10.27 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 126.058 1.743 . . . . 0.0 107.12 171.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -137.36 136.64 38.1 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 169.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -174.14 178.15 2.16 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.377 1.471 . . . . 0.0 108.861 178.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.43 30.84 17.72 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.291 1.837 . . . . 0.0 113.268 175.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -134.31 160.0 70.17 Favored Pre-proline 0 C--O 1.239 0.522 0 C-N-CA 126.33 1.852 . . . . 0.0 108.659 -176.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -73.78 77.87 2.57 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 123.855 3.037 . . . . 0.0 109.331 176.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -142.5 -67.17 0.38 Allowed 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.15 0.98 . . . . 0.0 108.73 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.39 91.93 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.359 1.464 . . . . 0.0 110.807 178.054 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.0 m170 -124.44 159.01 31.45 Favored 'General case' 0 C--O 1.227 -0.106 0 C-N-CA 124.857 1.263 . . . . 0.0 109.266 -171.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -135.82 93.28 2.92 Favored 'General case' 0 N--CA 1.456 -0.148 0 O-C-N 122.153 -0.342 . . . . 0.0 110.779 -158.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.6 mt -83.71 97.18 4.6 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 174.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 tt -65.44 112.36 3.51 Favored 'General case' 0 N--CA 1.448 -0.559 0 O-C-N 120.328 -1.482 . . . . 0.0 108.577 171.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.5 t -129.88 -164.84 1.45 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.983 0.913 . . . . 0.0 110.461 177.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.7 m -122.13 154.55 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 123.915 0.886 . . . . 0.0 108.721 166.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.129 ' SG ' 'ZN ' ' A' ' 57' ' ' ' ZN' . 37.4 t -71.92 120.21 17.2 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 170.256 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 18.8 t -51.32 -36.06 40.94 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.935 0.894 . . . . 0.0 112.917 -176.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.499 ' HE2' ' HB2' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -107.69 -8.19 16.17 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -170.28 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 m -104.01 -20.98 13.68 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.968 0.907 . . . . 0.0 112.324 171.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.4 t0 42.6 48.03 4.61 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.124 1.77 . . . . 0.0 111.478 -159.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -117.59 146.97 18.78 Favored Glycine 0 C--N 1.34 0.777 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 176.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -64.32 126.44 27.78 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 126.136 1.774 . . . . 0.0 109.288 -174.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.6 mt -119.5 148.6 22.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 168.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -115.54 83.88 2.0 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 175.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.3 mt -70.01 94.7 0.89 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.153 -1.385 . . . . 0.0 109.385 -161.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.3 m -85.64 85.82 7.39 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -175.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.1 m -100.27 137.18 28.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -103.7 97.78 7.75 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 103.309 -2.849 . . . . 0.0 103.309 -167.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.8 m -156.66 132.76 9.76 Favored 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 120.525 -1.36 . . . . 0.0 111.241 -158.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.4 m -59.47 144.57 46.74 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 177.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.92 -40.24 66.55 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 -166.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -81.64 -21.89 37.91 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.841 0.829 . . . . 0.0 112.115 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -80.3 -39.89 27.88 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.741 1.616 . . . . 0.0 108.622 176.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.495 ' HA ' HD23 ' A' ' 37' ' ' LEU . 2.9 tt -56.11 -46.21 79.2 Favored 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 126.548 1.939 . . . . 0.0 110.076 164.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -62.64 -44.15 97.0 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 124.457 1.103 . . . . 0.0 109.7 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.5 m -57.08 -49.79 74.76 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 175.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.495 HD23 ' HA ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -66.69 -25.35 66.51 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.254 -0.904 . . . . 0.0 112.371 176.097 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.404 ' HA ' ' HB2' ' A' ' 41' ' ' PHE . 6.5 tt0 -68.32 -31.8 71.47 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 120.275 -1.515 . . . . 0.0 109.875 170.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -70.32 -33.51 71.6 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.022 -1.049 . . . . 0.0 109.695 170.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.426 ' HA ' ' HB3' ' A' ' 43' ' ' SER . 77.4 mt -64.42 -28.96 70.04 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 118.882 0.765 . . . . 0.0 112.231 169.189 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.404 ' HB2' ' HA ' ' A' ' 38' ' ' GLN . 0.2 OUTLIER -61.93 -49.34 76.53 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.436 1.494 . . . . 0.0 109.644 169.571 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.6 mt -69.24 -23.36 63.86 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.126 0.97 . . . . 0.0 112.909 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.426 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . 7.0 t -67.89 -82.73 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.746 2.018 . . . . 0.0 109.188 170.217 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.5 p -139.79 -11.12 1.16 Allowed 'General case' 0 C--N 1.344 0.337 0 N-CA-C 115.454 1.65 . . . . 0.0 115.454 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.0 tt -76.82 108.3 9.75 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -166.139 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.65 176.39 6.89 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 158.545 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.03 148.12 50.53 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 121.194 -0.941 . . . . 0.0 109.735 178.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.538 HG13 ' SG ' ' A' ' 52' ' ' CYS . 6.3 t -142.59 96.71 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 C-N-CA 126.641 1.976 . . . . 0.0 106.796 -168.313 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.9 p -53.63 148.64 17.97 Favored Pre-proline 0 CA--C 1.542 0.64 0 C-N-CA 126.052 1.741 . . . . 0.0 111.894 -174.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -61.68 -25.51 79.03 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 121.992 1.795 . . . . 0.0 113.956 -174.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 34.7 t90 -56.78 -53.74 54.36 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.147 0.979 . . . . 0.0 110.735 169.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.538 ' SG ' HG13 ' A' ' 48' ' ' VAL . 9.6 p -80.12 -18.47 49.74 Favored 'General case' 0 CA--C 1.513 -0.448 0 O-C-N 121.63 -0.669 . . . . 0.0 112.281 178.072 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.38 -38.59 87.58 Favored 'General case' 0 N--CA 1.435 -1.219 0 C-N-CA 118.835 -1.146 . . . . 0.0 109.585 169.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 19.4 m -73.01 -53.53 10.93 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.348 1.859 . . . . 0.0 111.061 175.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -87.05 -20.11 27.64 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 -168.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 . . . . . 0 C--O 1.253 1.265 0 C-N-CA 126.094 1.757 . . . . 0.0 111.024 -162.773 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.115 0 N-CA-C 108.542 -1.823 . . . . 0.0 108.542 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 35.8 p 55.56 -159.17 0.21 Allowed 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.197 0.999 . . . . 0.0 109.93 -155.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -122.05 14.03 10.59 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.92 1.288 . . . . 0.0 110.653 166.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 40.5 ttm -60.73 107.41 0.69 Allowed 'General case' 0 C--N 1.345 0.407 0 C-N-CA 123.838 0.855 . . . . 0.0 110.8 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -177.33 110.91 0.08 Allowed 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 128.594 2.758 . . . . 0.0 106.694 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -165.04 146.6 6.43 Favored Pre-proline 0 N--CA 1.447 -0.625 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -158.389 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -81.64 44.94 1.83 Allowed 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 124.507 3.471 . . . . 0.0 112.115 -168.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 16.8 mp0 -128.1 -63.42 1.01 Allowed 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.694 1.198 . . . . 0.0 109.809 177.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -57.41 90.8 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.868 1.267 . . . . 0.0 111.864 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 60.7 m170 -126.32 168.64 13.86 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 125.54 1.536 . . . . 0.0 110.402 -167.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.09 101.92 4.27 Favored 'General case' 0 C--N 1.338 0.103 0 C-N-CA 124.052 0.941 . . . . 0.0 109.666 -165.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 52.7 mt -89.65 101.1 11.79 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 172.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 tt -68.03 120.72 14.72 Favored 'General case' 0 N--CA 1.447 -0.619 0 O-C-N 120.373 -1.454 . . . . 0.0 108.891 173.302 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 4.2 t -130.1 -173.21 2.98 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 126.507 1.923 . . . . 0.0 108.942 174.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.7 m -127.17 156.77 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 123.911 0.884 . . . . 0.0 109.062 169.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 11.4 t -73.74 130.82 40.76 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 123.138 0.575 . . . . 0.0 110.45 -178.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 5.8 t -60.98 -35.64 77.34 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -174.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' LYS . . . . . 0.423 ' HB2' ' HE2' ' B' ' 18' ' ' LYS . 0.0 OUTLIER -105.85 -11.65 16.15 Favored 'General case' 0 C--N 1.342 0.247 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -167.729 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.0 p -139.17 2.89 2.13 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 18.7 t0 55.91 21.37 4.84 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.721 2.008 . . . . 0.0 114.139 177.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.15 148.04 40.38 Favored Glycine 0 C--N 1.339 0.743 0 N-CA-C 109.939 -1.264 . . . . 0.0 109.939 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -67.48 119.03 11.62 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 125.047 1.339 . . . . 0.0 108.583 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 2.4 mt -125.3 114.17 38.66 Favored 'Isoleucine or valine' 0 C--N 1.342 0.257 0 CA-C-O 121.774 0.797 . . . . 0.0 109.403 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -81.67 87.32 6.3 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 170.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 50.0 mt -68.12 98.19 0.77 Allowed 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -169.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 49.3 m -90.95 104.88 17.41 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 -172.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 9.0 m -121.32 140.54 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 105.15 -2.167 . . . . 0.0 105.15 -176.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -110.76 79.63 1.22 Allowed 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 -166.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -151.63 155.2 37.89 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-O 121.406 0.622 . . . . 0.0 111.915 -174.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.2 m -49.91 142.11 9.52 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 127.01 2.124 . . . . 0.0 110.249 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.38 -38.71 63.61 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -168.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -81.58 -25.17 36.0 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -178.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -71.74 -42.95 66.63 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.809 1.243 . . . . 0.0 108.766 172.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' B' ' 37' ' ' LEU . 0.7 OUTLIER -55.84 -46.57 78.13 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.203 1.401 . . . . 0.0 110.451 168.49 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -62.77 -47.91 81.48 Favored 'General case' 0 CA--C 1.51 -0.559 0 C-N-CA 125.395 1.478 . . . . 0.0 108.302 -177.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 41.0 m -55.74 -47.78 76.36 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -65.6 -31.13 71.99 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.826 -0.546 . . . . 0.0 112.39 175.643 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -65.65 -34.25 77.78 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 120.848 -1.158 . . . . 0.0 109.18 172.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -69.18 -32.68 72.14 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 119.425 1.011 . . . . 0.0 110.224 174.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 52.5 mt -59.68 -46.14 89.96 Favored 'General case' 0 C--N 1.343 0.324 0 CA-C-N 119.082 0.855 . . . . 0.0 110.455 168.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -60.18 -43.63 95.72 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.168 0.895 . . . . 0.0 111.646 174.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.71 -37.62 82.31 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.846 1.258 . . . . 0.0 111.208 176.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 9.2 t -70.83 -63.31 1.12 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 126.191 1.797 . . . . 0.0 111.827 176.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.99 -35.74 0.32 Allowed 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 115.151 1.538 . . . . 0.0 115.151 -158.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.11 158.01 21.53 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 -159.009 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.3 p -142.19 176.81 8.69 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.03 1.732 . . . . 0.0 109.795 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -137.32 155.32 49.58 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 120.456 -1.403 . . . . 0.0 108.693 176.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . 0.272 1.8 t -137.47 100.23 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 C-N-CA 125.702 1.601 . . . . 0.0 106.872 -174.322 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 p -57.47 146.24 64.88 Favored Pre-proline 0 N--CA 1.47 0.543 0 C-N-CA 124.674 1.19 . . . . 0.0 110.723 -169.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -57.88 -30.3 89.13 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 121.915 1.743 . . . . 0.0 113.825 -172.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 19.0 t90 -56.24 -63.0 1.33 Allowed 'General case' 0 C--O 1.235 0.301 0 C-N-CA 124.513 1.125 . . . . 0.0 110.268 171.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 1.3 p -69.14 -28.21 66.23 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-O 119.59 -0.243 . . . . 0.0 110.539 -177.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.69 -37.76 88.55 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 117.996 0.362 . . . . 0.0 110.489 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 30.4 m -74.74 -49.58 20.51 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.012 1.725 . . . . 0.0 110.682 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -71.43 -25.69 62.42 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.111 0.564 . . . . 0.0 112.257 -176.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 . . . . . 0 C--O 1.252 1.188 0 C-N-CA 127.631 2.372 . . . . 0.0 111.002 -173.106 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . 1.129 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.953 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -56.16 135.76 52.98 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 165.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.6 t60 47.77 59.83 3.93 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.521 1.128 . . . . 0.0 111.691 -173.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 10.6 ptp -68.71 64.74 0.12 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.701 1.2 . . . . 0.0 113.214 176.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.95 34.02 0.06 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.171 1.788 . . . . 0.0 110.9 161.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -87.0 146.1 39.82 Favored Pre-proline 0 CA--C 1.538 0.484 0 C-N-CA 125.075 1.35 . . . . 0.0 109.859 -166.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -78.26 47.03 2.26 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 125.208 3.939 . . . . 0.0 112.151 -169.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 -129.05 -49.83 1.21 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.29 1.436 . . . . 0.0 111.518 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.9 89.94 0.06 Allowed 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 120.752 1.614 . . . . 0.0 111.129 -173.026 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -123.99 164.88 18.44 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 123.781 0.832 . . . . 0.0 110.618 -166.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.1 100.74 4.23 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 124.502 1.121 . . . . 0.0 109.204 -164.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.2 mt -85.59 95.8 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 171.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.8 tt -63.64 115.72 5.0 Favored 'General case' 0 N--CA 1.445 -0.675 0 O-C-N 121.015 -1.053 . . . . 0.0 108.225 169.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.0 t -124.25 -169.69 2.01 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 124.505 1.122 . . . . 0.0 109.09 171.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.8 m -119.46 161.19 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 164.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.153 ' SG ' 'ZN ' ' A' ' 57' ' ' ' ZN' . 14.2 t -67.12 127.96 34.57 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 173.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.2 t -48.65 -35.82 14.59 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.538 1.935 . . . . 0.0 112.394 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.66 -7.45 10.08 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -172.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -115.62 -12.63 11.56 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.32 1.048 . . . . 0.0 113.566 177.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.9 t0 54.72 20.8 3.15 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.968 1.707 . . . . 0.0 113.248 -173.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.41 147.28 20.62 Favored Glycine 0 C--N 1.341 0.851 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 -178.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -64.75 122.4 16.8 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 125.093 1.357 . . . . 0.0 109.095 -175.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.5 mt -128.26 130.49 69.45 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.174 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 173.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -97.54 85.61 3.65 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 123.974 0.91 . . . . 0.0 108.743 175.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.5 mt -71.34 100.12 2.09 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.044 -166.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.1 m -90.97 113.21 25.39 Favored 'General case' 0 N--CA 1.436 -1.151 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 -172.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.4 m -121.68 121.66 64.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 N-CA-C 103.513 -2.773 . . . . 0.0 103.513 178.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.457 ' HG3' ' CG2' ' B' ' 48' ' ' VAL . 7.0 mt-10 -81.37 100.75 9.41 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 104.684 -2.339 . . . . 0.0 104.684 170.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -158.16 155.57 29.33 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 122.804 0.442 . . . . 0.0 109.834 173.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.5 m -54.84 145.67 19.24 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.984 0.914 . . . . 0.0 110.142 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.51 -39.33 64.53 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -168.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -92.67 -15.36 26.85 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -173.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -63.5 -46.15 87.43 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 159.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.65 -36.06 79.73 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.816 1.647 . . . . 0.0 112.416 174.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -72.06 -44.38 63.42 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 127.276 2.23 . . . . 0.0 109.78 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.7 m -56.28 -47.13 79.21 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 172.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.7 -37.94 74.36 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.324 1.45 . . . . 0.0 112.371 170.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -62.94 -34.36 77.31 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 119.943 -1.723 . . . . 0.0 110.609 173.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -69.7 -32.3 70.82 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 121.646 -0.659 . . . . 0.0 109.746 173.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.8 mt -64.88 -31.2 72.32 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 118.639 0.654 . . . . 0.0 112.612 169.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -64.73 -49.4 70.98 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.952 1.251 . . . . 0.0 110.175 167.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.9 mt -62.48 -26.13 68.37 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.067 0.547 . . . . 0.0 112.373 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.8 t -67.19 -81.78 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.939 2.496 . . . . 0.0 109.882 167.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.7 p -138.74 -19.81 1.03 Allowed 'General case' 0 C--N 1.346 0.434 0 N-CA-C 116.228 1.936 . . . . 0.0 116.228 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 tt -71.23 144.37 50.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 122.35 1.071 . . . . 0.0 113.464 -161.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.9 m -152.69 166.46 32.09 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 124.734 1.213 . . . . 0.0 107.827 158.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -109.8 160.38 16.39 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.981 0.896 . . . . 0.0 109.594 -167.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.494 ' CG2' ' HG3' ' B' ' 28' ' ' GLU . 2.3 t -138.89 90.76 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 N-CA-C 103.496 -2.779 . . . . 0.0 103.496 -158.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.9 p -53.59 149.9 14.39 Favored Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 115.078 -0.964 . . . . 0.0 109.293 -176.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -55.91 -30.41 77.27 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 121.817 1.678 . . . . 0.0 113.569 -173.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -55.63 -61.23 2.49 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.954 0.902 . . . . 0.0 110.965 168.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.493 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -67.08 -30.25 70.24 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-O 118.988 -0.53 . . . . 0.0 111.692 -177.751 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.66 -36.6 84.79 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 118.313 0.506 . . . . 0.0 110.455 175.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.3 m -76.85 -45.03 29.92 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.152 0.981 . . . . 0.0 111.418 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.37 -45.82 18.8 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.699 0.8 . . . . 0.0 112.0 -174.109 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.079 0 C-N-CA 128.136 2.575 . . . . 0.0 112.167 -170.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.274 0 N-CA-C 107.364 -2.294 . . . . 0.0 107.364 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t 54.23 -172.59 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 117.253 0.527 . . . . 0.0 109.858 -135.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -137.58 90.96 2.55 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.217 1.007 . . . . 0.0 108.45 172.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -56.38 138.92 50.29 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 125.601 1.56 . . . . 0.0 109.594 173.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ALA . . . . . 0.404 ' H ' ' CD ' ' B' ' 6' ' ' GLU . . . -135.68 19.01 3.3 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 125.551 1.54 . . . . 0.0 113.488 -174.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' GLU . . . . . 0.404 ' CD ' ' H ' ' B' ' 5' ' ' ALA . 16.7 mp0 -89.48 152.28 47.16 Favored Pre-proline 0 CA--C 1.542 0.671 0 C-N-CA 124.107 0.963 . . . . 0.0 110.261 -166.057 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -76.17 58.55 5.66 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 124.853 3.702 . . . . 0.0 111.941 -176.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -128.23 -52.26 1.3 Allowed 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 126.043 1.737 . . . . 0.0 109.21 172.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.47 91.88 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.561 1.145 . . . . 0.0 110.779 -178.147 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 50.7 m170 -126.8 166.95 16.48 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 123.805 0.842 . . . . 0.0 111.256 -168.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.36 105.7 5.52 Favored 'General case' 0 C--N 1.341 0.23 0 C-N-CA 124.967 1.307 . . . . 0.0 109.363 -170.3 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 72.8 mt -89.43 97.09 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 170.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 tt -64.13 114.84 4.44 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 120.971 -1.081 . . . . 0.0 108.4 168.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 2.8 t -123.03 -169.54 1.95 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.693 1.197 . . . . 0.0 109.134 170.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.3 m -118.24 162.51 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 164.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' CYS . . . . . 1.127 ' SG ' 'ZN ' ' B' ' 57' ' ' ' ZN' . 27.1 t -66.34 127.76 33.49 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 170.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 43.5 t -47.98 -36.8 13.27 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.607 1.963 . . . . 0.0 112.345 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.59 -9.06 9.87 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -172.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -113.62 -11.15 13.04 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.905 0.882 . . . . 0.0 113.033 178.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 t0 53.81 21.55 2.79 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.165 1.786 . . . . 0.0 113.285 -174.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.34 146.91 19.25 Favored Glycine 0 C--N 1.34 0.794 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -177.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -65.12 121.64 15.2 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 125.34 1.456 . . . . 0.0 109.304 -175.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 8.5 mt -127.12 126.1 67.48 Favored 'Isoleucine or valine' 0 C--N 1.34 0.174 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 174.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -93.75 85.91 4.97 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 124.059 0.944 . . . . 0.0 108.824 175.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.3 mt -71.17 98.23 1.66 Allowed 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.063 -167.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 24.0 m -86.14 112.24 21.12 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 -175.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 m -122.76 120.16 60.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 103.301 -2.852 . . . . 0.0 103.301 178.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.494 ' HG3' ' CG2' ' A' ' 48' ' ' VAL . 5.9 mt-10 -83.65 99.37 10.16 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 104.526 -2.398 . . . . 0.0 104.526 172.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -157.69 155.53 30.14 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 123.038 0.535 . . . . 0.0 109.737 174.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.0 m -55.88 147.19 19.89 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.108 0.963 . . . . 0.0 110.133 -178.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.29 -40.83 65.02 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -168.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -92.41 -14.9 27.92 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -173.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -63.86 -45.89 87.46 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 160.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.25 -38.65 84.13 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.615 1.566 . . . . 0.0 111.919 174.277 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -70.84 -44.56 66.2 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 127.463 2.305 . . . . 0.0 109.734 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 29.5 m -57.0 -46.7 82.1 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 173.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.11 -37.87 75.39 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.327 1.451 . . . . 0.0 112.296 171.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -62.86 -34.98 78.49 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 120.101 -1.625 . . . . 0.0 110.137 173.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -70.26 -31.16 68.41 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.589 -0.694 . . . . 0.0 110.019 173.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 73.3 mt -65.95 -30.4 70.96 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 118.847 0.748 . . . . 0.0 112.398 170.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -64.26 -49.41 71.98 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.96 1.255 . . . . 0.0 109.914 167.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 70.8 mt -63.26 -27.15 69.15 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 5.2 t -64.31 -78.77 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 127.673 2.389 . . . . 0.0 109.678 167.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 40.4 p -143.22 -22.6 0.62 Allowed 'General case' 0 C--N 1.343 0.298 0 N-CA-C 115.931 1.826 . . . . 0.0 115.931 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 tt -69.81 145.13 52.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 122.24 1.019 . . . . 0.0 113.197 -161.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.8 m -152.23 164.91 36.41 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 158.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -105.54 160.7 14.96 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 122.177 0.989 . . . . 0.0 109.585 -168.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.457 ' CG2' ' HG3' ' A' ' 28' ' ' GLU . 2.6 t -138.83 90.82 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 N-CA-C 103.238 -2.875 . . . . 0.0 103.238 -158.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 p -53.08 148.29 14.95 Favored Pre-proline 0 CA--C 1.533 0.327 0 CA-C-N 114.957 -1.02 . . . . 0.0 108.962 -176.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -55.66 -28.84 67.91 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 122.239 1.959 . . . . 0.0 113.905 -170.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 21.4 t90 -54.41 -65.57 0.55 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.373 1.469 . . . . 0.0 110.711 166.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.513 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 0.5 OUTLIER -67.91 -26.74 66.13 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-N 118.801 0.728 . . . . 0.0 112.302 -178.925 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.37 -49.06 79.27 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 121.201 -0.937 . . . . 0.0 109.207 174.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 19.9 m -70.84 -51.42 26.68 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.729 1.612 . . . . 0.0 111.382 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -88.78 -12.19 42.79 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.07 0.948 . . . . 0.0 112.948 -167.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.766 2.026 . . . . 0.0 110.097 -167.123 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . 1.153 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ' ZN' . . . . . 1.127 'ZN ' ' SG ' ' B' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.067 0 N-CA-C 109.951 -1.259 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m -64.86 168.97 5.61 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.713 0.805 . . . . 0.0 111.269 174.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -141.05 -175.88 4.48 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 163.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.7 ttt -127.95 167.53 16.52 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 124.867 1.267 . . . . 0.0 107.789 170.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -149.9 157.48 43.21 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 106.053 -1.832 . . . . 0.0 106.053 163.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -142.52 148.17 45.84 Favored Pre-proline 0 C--O 1.238 0.466 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -76.46 54.55 4.37 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 124.757 3.638 . . . . 0.0 111.34 -178.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.3 mp0 -130.28 -53.41 1.11 Allowed 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.439 1.496 . . . . 0.0 110.009 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.51 93.47 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 120.524 1.511 . . . . 0.0 110.496 -175.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 44.0 m170 -127.1 166.37 17.77 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 118.53 0.605 . . . . 0.0 110.325 -169.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.1 mtpt -141.95 94.67 2.7 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.165 0.986 . . . . 0.0 109.304 -161.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.4 mt -83.74 94.4 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 172.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt -65.19 109.25 2.14 Favored 'General case' 0 N--CA 1.446 -0.636 0 O-C-N 120.652 -1.28 . . . . 0.0 108.546 166.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.7 t -117.42 -171.82 2.11 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.165 0.986 . . . . 0.0 109.235 171.108 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.8 m -120.81 155.01 24.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 124.157 0.983 . . . . 0.0 108.989 172.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.456 ' SG ' ' HA ' ' A' ' 48' ' ' VAL . 26.1 t -73.04 131.77 42.54 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.143 -177.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.5 t -61.44 -34.53 75.58 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.413 0.685 . . . . 0.0 112.09 -173.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.15 -17.0 15.07 Favored 'General case' 0 C--N 1.346 0.424 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -173.062 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.3 p -134.75 3.61 3.26 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -175.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.5 t0 57.06 15.07 2.21 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.892 2.077 . . . . 0.0 114.096 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.08 147.66 39.89 Favored Glycine 0 C--N 1.339 0.723 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 -177.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -63.23 116.28 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 125.369 1.467 . . . . 0.0 109.243 178.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.4 mt -118.81 112.32 37.4 Favored 'Isoleucine or valine' 0 C--N 1.341 0.208 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 175.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -84.45 85.1 7.44 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.859 1.263 . . . . 0.0 109.185 174.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.3 mt -73.07 94.65 1.93 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.445 -0.798 . . . . 0.0 108.892 -171.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.1 m -80.86 109.29 15.28 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 177.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.5 m -124.41 117.86 51.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 N-CA-C 103.951 -2.611 . . . . 0.0 103.951 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.56 ' HG3' ' CG2' ' B' ' 48' ' ' VAL . 5.5 mt-10 -86.2 102.97 14.39 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 178.379 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.566 ' HB2' HD12 ' B' ' 45' ' ' LEU . 1.5 t -163.82 157.5 18.95 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 123.851 0.86 . . . . 0.0 110.083 174.19 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.1 m -52.35 143.76 14.37 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.814 1.246 . . . . 0.0 110.542 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.44 -41.05 68.95 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -170.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -71.67 -32.47 67.92 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.855 0.862 . . . . 0.0 112.688 -178.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -67.89 -46.81 70.6 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.533 1.133 . . . . 0.0 108.673 174.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.79 -40.41 72.66 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 125.305 1.442 . . . . 0.0 111.88 172.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -73.49 -43.45 60.09 Favored 'General case' 0 CA--C 1.506 -0.717 0 C-N-CA 126.847 2.059 . . . . 0.0 109.351 -176.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 46.0 m -53.91 -51.86 62.38 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 170.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.56 -39.3 64.65 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.13 1.372 . . . . 0.0 111.936 170.402 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -67.76 -28.84 67.96 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 120.148 -1.595 . . . . 0.0 111.213 176.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -70.58 -35.61 73.14 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 119.064 0.847 . . . . 0.0 109.487 172.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.96 -37.71 83.35 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.572 0.624 . . . . 0.0 110.881 171.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -60.5 -53.5 56.81 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 118.698 0.681 . . . . 0.0 110.216 170.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.6 mt -62.55 -25.95 68.32 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.558 0.743 . . . . 0.0 112.282 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.5 t -72.82 -69.71 0.4 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 126.641 1.976 . . . . 0.0 110.236 173.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.8 p -145.22 -29.97 0.43 Allowed 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 114.511 1.301 . . . . 0.0 114.511 -172.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.6 tt -70.52 149.22 47.39 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 122.815 1.293 . . . . 0.0 111.54 -163.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 62.9 m -142.8 171.08 14.54 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 159.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -111.06 157.14 20.31 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 178.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.456 ' HA ' ' SG ' ' A' ' 16' ' ' CYS 0.332 0.4 OUTLIER -135.2 106.8 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.966 0 N-CA-C 107.316 -1.365 . . . . 0.0 107.316 177.947 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 p -57.38 146.51 62.89 Favored Pre-proline 0 C--N 1.344 0.339 0 C-N-CA 125.843 1.657 . . . . 0.0 110.691 -165.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -60.98 -29.71 88.49 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.121 1.88 . . . . 0.0 112.743 -172.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -54.05 -67.09 0.29 Allowed 'General case' 0 C--O 1.235 0.292 0 C-N-CA 124.534 1.134 . . . . 0.0 109.546 169.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.9 p -66.53 -29.78 69.95 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 118.888 -0.577 . . . . 0.0 110.732 -175.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.97 -33.21 74.21 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 118.585 0.63 . . . . 0.0 110.444 -179.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.4 m -77.43 -43.06 33.78 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.921 1.289 . . . . 0.0 111.002 175.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -67.06 -32.98 74.53 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 118.668 0.667 . . . . 0.0 111.461 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 . . . . . 0 C--O 1.251 1.184 0 C-N-CA 128.421 2.688 . . . . 0.0 111.236 -164.522 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.708 0 N-CA-C 108.793 -1.723 . . . . 0.0 108.793 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 32.9 t -149.23 172.34 15.01 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.116 0.958 . . . . 0.0 110.009 -169.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -75.86 -18.74 59.32 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.676 0.791 . . . . 0.0 111.083 161.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 56.0 tpp -66.68 134.64 52.68 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 165.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.46 71.32 0.93 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.012 0.925 . . . . 0.0 109.943 172.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -70.65 146.24 93.41 Favored Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 124.575 1.15 . . . . 0.0 111.141 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -85.79 43.02 1.1 Allowed 'Trans proline' 0 CA--C 1.542 0.924 0 C-N-CA 124.949 3.766 . . . . 0.0 110.342 169.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -127.91 -62.76 1.05 Allowed 'General case' 0 C--N 1.344 0.355 0 CA-C-O 117.195 -1.384 . . . . 0.0 110.303 -178.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.96 96.32 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.646 1.566 . . . . 0.0 112.043 176.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 43.3 m170 -128.33 170.21 13.34 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.39 1.076 . . . . 0.0 110.237 -173.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -137.52 97.12 3.38 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 124.836 1.255 . . . . 0.0 108.785 -166.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 50.1 mt -83.68 98.51 5.48 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.197 0 N-CA-C 105.858 -1.904 . . . . 0.0 105.858 170.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.13 109.78 1.95 Allowed 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 166.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 6.2 t -114.45 -171.59 1.95 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.297 1.439 . . . . 0.0 108.162 170.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 21.5 m -122.09 158.35 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 166.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' CYS . . . . . 1.149 ' SG ' 'ZN ' ' B' ' 57' ' ' ' ZN' . 22.0 t -68.69 125.98 28.27 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 174.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 31.8 t -46.79 -38.0 9.46 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.372 1.869 . . . . 0.0 112.484 178.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.16 -8.06 10.21 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 -170.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -112.41 -13.21 13.43 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.454 1.102 . . . . 0.0 113.117 175.602 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 23.0 t0 50.15 27.83 2.76 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.796 2.038 . . . . 0.0 113.1 -172.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.34 147.97 18.82 Favored Glycine 0 C--N 1.34 0.776 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -62.54 120.16 10.6 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 125.944 1.698 . . . . 0.0 109.312 -176.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 8.1 mt -122.33 118.72 56.23 Favored 'Isoleucine or valine' 0 C--N 1.341 0.197 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 172.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -82.82 88.61 6.77 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 124.789 1.236 . . . . 0.0 109.021 171.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.9 mt -72.61 99.72 2.61 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -174.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 11.5 m -82.48 97.76 8.57 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 2.5 m -116.58 130.05 72.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 N-CA-C 103.847 -2.649 . . . . 0.0 103.847 -177.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -105.9 102.13 11.59 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 -171.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.7 t -166.45 160.78 15.8 Favored 'General case' 0 C--N 1.341 0.211 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 177.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 16.6 m -52.33 143.66 14.49 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.321 1.049 . . . . 0.0 110.428 176.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.14 -42.15 69.23 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -169.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.75 -30.58 68.2 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -178.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -71.0 -46.53 62.1 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.465 1.106 . . . . 0.0 108.56 176.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.2 -36.54 66.05 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 126.312 1.845 . . . . 0.0 112.192 170.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -80.2 -39.9 28.24 Favored 'General case' 0 CA--C 1.508 -0.66 0 C-N-CA 127.285 2.234 . . . . 0.0 109.985 -175.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 49.2 m -55.25 -51.41 66.71 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 168.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tp -54.75 -35.62 63.94 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.442 1.497 . . . . 0.0 112.153 169.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -68.2 -31.35 70.8 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 119.892 -1.755 . . . . 0.0 111.298 174.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -69.82 -35.25 74.63 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 119.026 0.83 . . . . 0.0 109.235 173.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 42.7 mt -60.77 -38.33 84.9 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 118.848 -0.596 . . . . 0.0 110.787 169.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -62.94 -46.31 88.36 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.096 0.862 . . . . 0.0 110.72 173.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 68.8 mt -66.08 -23.96 66.62 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.334 0.654 . . . . 0.0 112.23 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 28.9 t -76.81 -71.55 0.39 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.14 1.776 . . . . 0.0 110.687 174.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 42.0 p -147.44 -32.28 0.29 Allowed 'General case' 0 C--O 1.235 0.319 0 C-N-CA 125.01 1.324 . . . . 0.0 113.607 -174.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.566 HD12 ' HB2' ' A' ' 29' ' ' SER . 28.7 tp -57.56 131.99 51.85 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.63 0.772 . . . . 0.0 109.6 -168.318 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.8 m -138.53 154.21 48.76 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 176.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -114.6 156.08 25.35 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.789 0.804 . . . . 0.0 109.346 -172.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.56 ' CG2' ' HG3' ' A' ' 28' ' ' GLU . 2.1 t -141.19 90.01 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 N-CA-C 102.793 -3.04 . . . . 0.0 102.793 -158.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 1.1 p -51.43 147.16 10.99 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 114.791 -1.095 . . . . 0.0 108.795 -175.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -56.76 -28.03 74.21 Favored 'Trans proline' 0 C--N 1.351 0.659 0 CA-C-N 120.74 1.3 . . . . 0.0 112.92 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -55.93 -59.61 4.65 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.379 1.072 . . . . 0.0 111.57 167.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.475 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 0.8 OUTLIER -66.59 -32.59 74.02 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 118.567 0.621 . . . . 0.0 111.434 -178.589 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.57 -40.8 98.03 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 117.653 0.206 . . . . 0.0 110.536 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 26.4 m -77.95 -52.09 9.36 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.109 1.364 . . . . 0.0 111.267 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.06 -49.05 25.82 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.62 0.768 . . . . 0.0 110.557 -174.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.254 1.329 0 C-N-CA 127.685 2.394 . . . . 0.0 111.751 -172.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ' ZN' . . . . . 1.149 'ZN ' ' SG ' ' B' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.148 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.2 t -151.51 168.0 26.28 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 172.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -116.82 9.94 14.05 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.644 1.578 . . . . 0.0 110.475 170.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.2 ttt 71.56 148.81 0.09 Allowed 'General case' 0 C--N 1.346 0.414 0 C-N-CA 128.091 2.556 . . . . 0.0 109.742 -158.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -150.92 168.09 25.56 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 126.688 1.995 . . . . 0.0 105.948 166.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -140.65 160.78 57.68 Favored Pre-proline 0 C--O 1.238 0.484 0 C-N-CA 125.019 1.328 . . . . 0.0 107.86 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.08 69.47 3.88 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 123.585 2.856 . . . . 0.0 110.398 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -129.48 -74.22 0.56 Allowed 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 126.255 1.822 . . . . 0.0 107.192 -177.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.47 96.8 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 125.853 1.661 . . . . 0.0 110.259 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 45.5 m170 -123.14 156.45 35.0 Favored 'General case' 0 CA--C 1.523 -0.081 0 C-N-CA 123.987 0.915 . . . . 0.0 109.974 -174.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -131.21 88.93 2.65 Favored 'General case' 0 N--CA 1.457 -0.097 0 C-N-CA 124.458 1.103 . . . . 0.0 108.648 -163.066 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.0 mt -83.54 100.23 6.88 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 176.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tt -68.26 114.77 7.01 Favored 'General case' 0 N--CA 1.447 -0.604 0 O-C-N 120.779 -1.201 . . . . 0.0 108.844 174.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.4 t -131.04 -166.56 1.72 Allowed 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.868 1.667 . . . . 0.0 108.584 175.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.4 m -121.24 154.81 25.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 167.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.127 ' SG ' 'ZN ' ' A' ' 57' ' ' ' ZN' . 19.3 t -69.97 126.81 30.8 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 171.066 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.1 t -51.62 -31.57 25.72 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.611 1.164 . . . . 0.0 113.025 -178.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.412 ' HE2' ' OE2' ' B' ' 28' ' ' GLU . 1.2 ptpm? -125.97 -2.74 7.1 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 125.119 1.368 . . . . 0.0 113.991 -162.179 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 m -108.68 -17.74 13.88 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.372 1.069 . . . . 0.0 112.061 165.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.0 t0 38.94 57.92 1.84 Allowed 'General case' 0 C--N 1.344 0.344 0 C-N-CA 126.114 1.766 . . . . 0.0 111.474 -160.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.3 149.71 19.29 Favored Glycine 0 C--N 1.338 0.658 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -61.81 115.57 4.11 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 127.062 2.145 . . . . 0.0 109.374 -173.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.4 mt -112.43 118.21 57.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 167.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -78.02 86.75 4.19 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 162.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.6 mt -65.03 96.67 0.2 Allowed 'General case' 0 C--N 1.344 0.346 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 -170.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.2 m -88.13 95.87 10.31 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 -177.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.0 m -113.47 143.43 23.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 N-CA-C 105.012 -2.218 . . . . 0.0 105.012 177.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -107.72 88.71 2.8 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 103.093 -2.928 . . . . 0.0 103.093 -169.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.3 m -151.21 128.3 11.13 Favored 'General case' 0 N--CA 1.443 -0.804 0 O-C-N 120.327 -1.483 . . . . 0.0 111.249 -158.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.0 m -60.72 140.36 57.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 118.027 -0.987 . . . . 0.0 108.631 -174.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.67 -37.67 29.53 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -162.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -97.53 -17.12 19.77 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 122.538 1.161 . . . . 0.0 113.645 -175.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -70.95 -39.24 72.71 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 124.573 1.149 . . . . 0.0 108.419 163.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.509 ' HA ' HD23 ' A' ' 37' ' ' LEU . 4.6 tt -64.05 -42.08 97.15 Favored 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 125.617 1.567 . . . . 0.0 110.697 172.109 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -58.68 -45.52 89.27 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 126.158 1.783 . . . . 0.0 109.567 172.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 33.4 m -57.5 -50.18 73.89 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -54.82 -36.78 65.35 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.265 1.026 . . . . 0.0 111.787 170.306 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -68.64 -30.0 68.61 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 120.286 -1.508 . . . . 0.0 110.492 177.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -69.88 -35.45 74.67 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 121.488 -0.758 . . . . 0.0 109.638 171.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.413 ' HA ' ' HB3' ' A' ' 43' ' ' SER . 71.4 mt -64.24 -27.91 69.37 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 118.648 0.658 . . . . 0.0 112.057 169.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -65.04 -47.9 75.76 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.834 1.254 . . . . 0.0 110.39 169.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 78.8 mt -67.76 -25.81 65.8 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.9 0.88 . . . . 0.0 112.859 176.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.413 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . 6.4 t -65.65 -81.96 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.822 2.049 . . . . 0.0 109.233 170.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.2 p -139.07 -14.88 1.15 Allowed 'General case' 0 C--N 1.345 0.38 0 N-CA-C 116.319 1.97 . . . . 0.0 116.319 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.2 tt -71.81 105.41 3.77 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -166.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.1 p -90.32 173.17 8.27 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 158.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -126.82 149.9 49.46 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 122.046 0.927 . . . . 0.0 111.18 -176.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.8 t -143.5 91.33 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 C-N-CA 128.176 2.591 . . . . 0.0 107.61 -162.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.2 p -58.19 157.58 16.47 Favored Pre-proline 0 CA--C 1.544 0.713 0 C-N-CA 125.237 1.415 . . . . 0.0 112.02 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.419 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 12.5 Cg_endo -56.6 -27.48 69.94 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 122.116 1.878 . . . . 0.0 115.597 -173.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -58.82 -67.09 0.4 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.775 1.23 . . . . 0.0 110.12 174.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.436 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 19.1 p -66.52 -25.25 66.58 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-O 118.645 -0.693 . . . . 0.0 111.996 177.05 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.419 ' HB3' ' HA ' ' A' ' 50' ' ' PRO . . . -62.77 -33.52 75.33 Favored 'General case' 0 N--CA 1.438 -1.071 0 C-N-CA 118.698 -1.201 . . . . 0.0 110.247 175.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.7 m -76.88 -48.57 17.92 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.469 1.508 . . . . 0.0 110.81 173.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -72.8 -46.89 50.81 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 118.429 -0.795 . . . . 0.0 112.642 -171.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 . . . . . 0 C--O 1.253 1.269 1 C-N-CA 134.289 5.036 . . . . 0.0 110.542 -176.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.261 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 67.1 p -121.75 173.85 7.21 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 118.509 1.154 . . . . 0.0 109.524 172.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -82.26 -41.99 19.45 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.595 1.158 . . . . 0.0 108.403 176.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 1.2 pmm? -154.99 -163.3 1.53 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.842 2.057 . . . . 0.0 107.836 170.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.29 115.7 20.79 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 158.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -139.6 145.02 41.72 Favored Pre-proline 0 CA--C 1.537 0.461 0 C-N-CA 123.657 0.783 . . . . 0.0 110.493 -158.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -81.5 41.41 1.13 Allowed 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 124.98 3.787 . . . . 0.0 112.644 -162.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 -128.1 -56.33 1.26 Allowed 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 125.307 1.443 . . . . 0.0 109.589 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.7 89.73 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.844 1.657 . . . . 0.0 111.609 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 57.8 m170 -127.53 167.88 15.7 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.463 1.505 . . . . 0.0 110.062 -168.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.79 96.76 3.13 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 123.868 0.867 . . . . 0.0 109.482 -161.387 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 38.4 mt -88.13 99.57 9.07 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 173.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 tt -66.41 118.31 9.88 Favored 'General case' 0 N--CA 1.447 -0.595 0 O-C-N 120.651 -1.281 . . . . 0.0 108.698 171.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 t -126.64 -173.7 2.94 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 126.138 1.775 . . . . 0.0 108.348 171.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 15.3 m -125.39 154.76 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 169.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' CYS . . . . . 0.412 ' SG ' ' SG ' ' B' ' 52' ' ' CYS . 12.7 t -72.01 131.58 43.09 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.146 -178.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 7.5 t -59.45 -39.01 82.22 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -173.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.98 -15.13 18.4 Favored 'General case' 0 C--N 1.342 0.263 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -168.678 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 27.2 p -137.25 2.48 2.52 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -173.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 20.3 t0 55.14 20.37 3.31 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.606 1.963 . . . . 0.0 113.916 178.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.6 146.11 38.21 Favored Glycine 0 C--N 1.34 0.75 0 N-CA-C 109.624 -1.391 . . . . 0.0 109.624 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -66.23 116.65 7.51 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 124.968 1.307 . . . . 0.0 108.558 178.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 3.1 mt -122.42 111.26 29.6 Favored 'Isoleucine or valine' 0 C--N 1.341 0.22 0 CA-C-N 118.819 0.736 . . . . 0.0 109.113 176.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -77.86 87.04 4.08 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 167.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 48.9 mt -66.54 96.31 0.37 Allowed 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 -173.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 38.9 m -88.98 101.72 14.36 Favored 'General case' 0 N--CA 1.438 -1.058 0 N-CA-C 106.566 -1.642 . . . . 0.0 106.566 -174.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 7.6 m -120.69 140.85 43.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 105.021 -2.214 . . . . 0.0 105.021 -176.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.412 ' OE2' ' HE2' ' A' ' 18' ' ' LYS . 4.1 tt0 -112.23 80.25 1.31 Allowed 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 104.931 -2.248 . . . . 0.0 104.931 -160.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -152.19 155.69 38.29 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.343 0.592 . . . . 0.0 111.537 -173.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.0 m -52.42 143.54 15.06 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.364 1.865 . . . . 0.0 109.935 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.61 -36.03 61.55 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -165.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.64 -16.06 23.48 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -176.06 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.51 -42.62 82.52 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 123.86 0.864 . . . . 0.0 108.721 162.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.446 ' HA ' HD23 ' B' ' 37' ' ' LEU . 0.7 OUTLIER -60.4 -45.22 94.36 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.513 1.125 . . . . 0.0 110.42 172.628 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -60.69 -48.12 83.21 Favored 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 126.296 1.839 . . . . 0.0 108.463 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 36.0 m -56.92 -47.26 81.01 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -67.49 -28.74 68.1 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.782 0.719 . . . . 0.0 112.602 176.121 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -65.13 -35.62 81.67 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.087 -1.008 . . . . 0.0 108.953 171.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -67.8 -36.37 80.31 Favored 'General case' 0 C--N 1.343 0.307 0 CA-C-N 119.203 0.91 . . . . 0.0 109.983 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 60.1 mt -57.95 -44.96 87.28 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.823 0.738 . . . . 0.0 110.354 169.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -62.57 -42.74 99.74 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.104 0.865 . . . . 0.0 111.153 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 45.1 mt -64.94 -30.05 71.02 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.557 0.743 . . . . 0.0 112.1 176.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 22.0 t -79.5 -56.14 4.54 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.865 1.266 . . . . 0.0 111.572 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.9 p -149.48 -30.64 0.23 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.652 1.581 . . . . 0.0 115.265 -158.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 tp -93.68 155.86 17.02 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -158.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.8 p -140.91 176.5 8.75 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.77 1.628 . . . . 0.0 110.176 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -137.46 155.46 49.29 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 120.817 -1.177 . . . . 0.0 109.101 178.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . 0.256 1.5 t -139.46 103.31 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.828 0 C-N-CA 125.606 1.563 . . . . 0.0 107.543 -174.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 p -60.11 147.23 81.17 Favored Pre-proline 0 N--CA 1.47 0.563 0 C-N-CA 125.311 1.444 . . . . 0.0 110.538 -172.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -59.75 -30.93 93.24 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.386 2.058 . . . . 0.0 113.88 -171.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 20.2 t90 -58.79 -59.74 4.95 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 123.85 0.86 . . . . 0.0 109.875 173.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.412 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 0.5 OUTLIER -68.94 -29.41 67.64 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 119.126 -0.464 . . . . 0.0 110.681 -178.197 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.34 -33.53 76.19 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 123.196 0.599 . . . . 0.0 111.075 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 39.5 m -73.92 -47.05 40.49 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.379 1.471 . . . . 0.0 110.331 174.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -70.16 -44.89 67.89 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.21 0.604 . . . . 0.0 111.898 -175.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.254 1.313 0 C-N-CA 129.854 3.262 . . . . 0.0 114.081 173.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . 1.127 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.094 0 N-CA-C 108.958 -1.657 . . . . 0.0 108.958 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -72.41 38.13 0.07 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.218 1.407 . . . . 0.0 111.955 170.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 176.36 152.46 0.17 Allowed 'General case' 0 C--O 1.238 0.488 0 C-N-CA 128.831 2.853 . . . . 0.0 106.22 -162.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 52.8 tpp -155.81 151.62 27.42 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.353 1.061 . . . . 0.0 108.14 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.25 152.23 30.07 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 125.254 1.422 . . . . 0.0 107.351 164.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -143.11 157.18 61.04 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 166.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -70.81 166.33 29.26 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 N-CA-C 105.77 -2.435 . . . . 0.0 105.77 158.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . 0.253 1.0 OUTLIER 69.08 -70.32 0.14 Allowed 'General case' 0 N--CA 1.438 -1.041 0 C-N-CA 124.947 1.299 . . . . 0.0 109.412 -177.896 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.06 87.92 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 126.638 1.975 . . . . 0.0 112.633 -174.142 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -121.73 162.05 21.5 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.464 1.105 . . . . 0.0 109.79 -173.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.63 96.22 3.3 Favored 'General case' 0 CA--C 1.523 -0.075 0 C-N-CA 123.48 0.712 . . . . 0.0 109.802 -161.341 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.4 mt -87.51 101.36 11.28 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.253 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 174.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 tt -65.55 115.22 5.53 Favored 'General case' 0 N--CA 1.447 -0.599 0 O-C-N 120.811 -1.181 . . . . 0.0 108.392 171.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.5 t -133.58 -166.37 1.77 Allowed 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 126.393 1.877 . . . . 0.0 108.228 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.3 m -118.73 157.72 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 166.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.149 ' SG ' 'ZN ' ' A' ' 57' ' ' ' ZN' . 38.1 t -65.33 130.73 44.37 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 167.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 18.0 t -49.73 -36.01 24.11 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.289 1.436 . . . . 0.0 112.545 -178.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.37 -16.09 7.95 Favored 'General case' 0 C--N 1.343 0.291 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 -172.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 m -92.12 -17.62 24.69 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 119.375 0.989 . . . . 0.0 112.057 170.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.1 t0 49.13 34.55 6.02 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.443 1.497 . . . . 0.0 111.815 -169.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -106.96 147.34 16.19 Favored Glycine 0 C--N 1.34 0.788 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 -178.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -59.53 112.8 1.92 Allowed 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 126.371 1.868 . . . . 0.0 108.827 -174.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.9 mt -113.18 122.84 68.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 167.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -79.74 86.7 5.3 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 107.653 -1.239 . . . . 0.0 107.653 162.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.1 mt -64.08 95.95 0.13 Allowed 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.573 1.149 . . . . 0.0 108.034 -170.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 56.8 m -89.63 87.39 7.0 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 -172.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.7 m -106.31 145.07 14.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 104.949 -2.241 . . . . 0.0 104.949 -179.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . 0.269 1.7 tt0 -111.76 103.84 12.13 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 101.458 -3.534 . . . . 0.0 101.458 -169.052 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . 0.284 31.7 m -157.68 142.15 16.32 Favored 'General case' 0 C--O 1.221 -0.424 0 O-C-N 118.796 -2.44 . . . . 0.0 110.397 -158.041 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.3 m -67.68 147.16 53.05 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 121.131 1.787 . . . . 0.0 107.105 173.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.34 -32.51 64.76 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 -163.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -101.45 -16.54 16.81 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -177.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -65.81 -41.41 91.91 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 161.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.428 ' HA ' HD23 ' A' ' 37' ' ' LEU . 5.9 tt -61.26 -51.68 67.91 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 125.906 1.683 . . . . 0.0 110.781 172.281 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -52.17 -48.54 64.91 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 125.721 1.608 . . . . 0.0 108.654 177.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.7 m -57.54 -50.96 71.37 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 178.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -50.83 -41.37 57.56 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.552 1.141 . . . . 0.0 111.409 171.644 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -70.73 -31.55 68.42 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.262 1.425 . . . . 0.0 109.83 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -69.51 -33.85 73.42 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 119.388 0.994 . . . . 0.0 109.86 172.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.29 -49.62 76.49 Favored 'General case' 0 C--N 1.343 0.31 0 CA-C-N 118.732 0.696 . . . . 0.0 109.954 167.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -58.49 -42.21 87.09 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.472 0.578 . . . . 0.0 111.622 177.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.1 tt -61.05 -35.75 77.73 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.63 1.172 . . . . 0.0 111.639 174.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.4 t -85.52 -55.88 3.79 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.417 1.087 . . . . 0.0 112.479 -174.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.0 p -141.26 -19.06 0.79 Allowed 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.103 1.761 . . . . 0.0 115.605 -158.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mp -115.92 164.12 14.87 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 115.902 1.816 . . . . 0.0 115.902 -158.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.1 m -159.32 174.25 15.04 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.009 1.324 . . . . 0.0 110.496 171.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.21 152.71 35.16 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 125.194 1.398 . . . . 0.0 108.718 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 8.6 t -136.11 100.34 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.045 0 C-N-CA 127.692 2.397 . . . . 0.0 105.832 -171.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.3 p -58.76 156.62 23.56 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 125.346 1.458 . . . . 0.0 111.656 -170.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.434 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 19.1 Cg_endo -58.36 -27.15 80.33 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.555 2.17 . . . . 0.0 114.361 -173.38 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 16.6 t90 -59.41 -66.77 0.46 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.335 1.054 . . . . 0.0 110.315 173.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 18.8 p -65.01 -27.89 69.13 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 118.97 0.805 . . . . 0.0 111.588 176.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.434 ' HB3' ' HA ' ' A' ' 50' ' ' PRO . . . -60.54 -33.76 73.15 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 118.717 -1.193 . . . . 0.0 110.108 177.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 20.6 m -78.52 -46.71 18.9 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.667 1.587 . . . . 0.0 111.904 172.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.63 -19.3 22.02 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -166.033 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 . . . . . 0 C--O 1.253 1.246 0 CA-C-O 115.015 -2.421 . . . . 0.0 107.908 -158.527 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.015 0 N-CA-C 106.888 -2.485 . . . . 0.0 106.888 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.2 p -57.12 163.01 2.28 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 139.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -158.5 169.95 23.3 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 126.5 1.92 . . . . 0.0 106.829 177.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 11.9 ptm -74.34 145.19 44.06 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 167.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -160.29 152.8 20.88 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 106.53 -1.656 . . . . 0.0 106.53 158.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -154.9 153.98 28.27 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.499 -160.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -81.78 43.92 1.62 Allowed 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 124.481 3.454 . . . . 0.0 109.658 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -139.36 -65.81 0.47 Allowed 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 125.362 1.465 . . . . 0.0 108.526 -159.17 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.42 87.1 0.02 OUTLIER 'General case' 0 C--O 1.231 0.128 0 C-N-CA 125.613 1.565 . . . . 0.0 113.072 -174.086 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -122.76 165.97 15.71 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.056 0.942 . . . . 0.0 110.182 -169.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -142.65 96.74 2.99 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 122.903 0.481 . . . . 0.0 110.013 -158.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 39.6 mt -84.0 103.44 11.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 175.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 tt -66.84 116.55 7.84 Favored 'General case' 0 N--CA 1.45 -0.466 0 O-C-N 120.509 -1.369 . . . . 0.0 108.587 173.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 13.6 t -124.98 -174.25 3.0 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.898 1.679 . . . . 0.0 108.864 175.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 28.9 m -113.77 162.23 12.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 158.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' CYS . . . . . 1.144 ' SG ' 'ZN ' ' B' ' 57' ' ' ' ZN' . 49.5 t -65.29 126.09 27.09 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 161.45 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 4.7 t -58.46 -28.58 65.46 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -178.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.87 -19.92 6.01 Favored 'General case' 0 C--N 1.343 0.287 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -170.027 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 18.5 m -89.36 -15.32 33.6 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 119.358 0.981 . . . . 0.0 112.064 166.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 32.0 t0 42.58 56.23 3.91 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.468 1.907 . . . . 0.0 111.924 -172.262 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -127.38 151.48 18.45 Favored Glycine 0 C--N 1.337 0.6 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 174.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -64.8 129.69 40.71 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 126.073 1.749 . . . . 0.0 109.298 -174.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 13.2 mt -129.45 143.82 39.98 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.19 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 171.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -110.48 86.95 2.41 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 76.0 mt -69.58 98.51 1.16 Allowed 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 114.5 -1.227 . . . . 0.0 108.715 -162.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 57.8 m -88.22 93.49 9.52 Favored 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 -169.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 29.8 m -106.1 123.16 60.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 104.843 -2.28 . . . . 0.0 104.843 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -88.42 98.28 11.53 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 103.088 -2.931 . . . . 0.0 103.088 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 45.3 m -153.25 138.92 17.86 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 124.104 0.962 . . . . 0.0 111.032 -158.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 47.5 m -60.44 141.61 56.17 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 175.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.41 -40.05 58.54 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -167.13 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -92.46 -10.88 36.28 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.958 0.885 . . . . 0.0 113.368 -175.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -79.63 -35.96 38.65 Favored 'General case' 0 N--CA 1.44 -0.964 0 C-N-CA 124.969 1.308 . . . . 0.0 108.429 167.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.469 ' HA ' HD23 ' B' ' 37' ' ' LEU . 1.2 tt -59.2 -47.09 86.6 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.426 1.091 . . . . 0.0 109.705 165.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -57.69 -49.96 74.78 Favored 'General case' 0 CA--C 1.514 -0.405 0 C-N-CA 125.304 1.442 . . . . 0.0 108.027 177.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 88.4 m -55.77 -52.06 65.26 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.325 0.65 . . . . 0.0 109.677 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.2 OUTLIER -64.94 -28.32 69.45 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 118.47 0.577 . . . . 0.0 111.977 178.113 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -67.9 -32.82 73.56 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 120.581 -1.324 . . . . 0.0 109.715 171.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -68.32 -34.55 76.33 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 119.594 1.088 . . . . 0.0 109.597 172.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 23.9 mt -59.83 -41.07 90.52 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.822 167.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -59.65 -45.13 92.95 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.8 1.182 . . . . 0.0 110.425 174.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 60.8 mt -65.35 -20.32 66.34 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 175.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 8.4 t -80.8 -77.64 0.2 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.17 1.788 . . . . 0.0 110.906 172.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.3 p -143.68 1.64 1.18 Allowed 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 -172.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.01 148.31 22.29 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 122.303 1.049 . . . . 0.0 112.609 -172.024 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.7 p -147.87 178.53 8.43 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 130.025 3.33 . . . . 0.0 107.776 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -135.86 158.29 44.76 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 120.137 -1.602 . . . . 0.0 110.12 176.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.453 HG13 ' SG ' ' B' ' 52' ' ' CYS . 5.1 t -140.32 104.89 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.162 0 C-N-CA 126.407 1.883 . . . . 0.0 107.138 -171.053 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 2.7 p -58.01 156.33 20.32 Favored Pre-proline 0 CA--C 1.538 0.509 0 C-N-CA 124.142 0.977 . . . . 0.0 112.221 -173.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' PRO . . . . . 0.437 ' HA ' ' HB3' ' B' ' 53' ' ' ALA . 18.3 Cg_endo -58.41 -22.44 58.65 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 122.169 1.912 . . . . 0.0 113.974 178.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -57.22 -67.69 0.3 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.763 1.225 . . . . 0.0 110.035 170.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.453 ' SG ' HG13 ' B' ' 48' ' ' VAL . 1.8 p -66.54 -23.89 66.29 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 119.121 0.873 . . . . 0.0 112.535 177.301 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.437 ' HB3' ' HA ' ' B' ' 50' ' ' PRO . . . -60.88 -41.09 95.31 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 118.35 -1.34 . . . . 0.0 109.767 174.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 22.0 m -76.9 -47.38 21.3 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.984 1.713 . . . . 0.0 111.627 178.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.69 -55.28 5.12 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.406 1.082 . . . . 0.0 111.69 -173.455 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 . . . . . 0 C--O 1.252 1.235 1 C-N-CA 134.22 5.008 . . . . 0.0 108.225 -160.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . 1.149 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ' ZN' . . . . . 1.144 'ZN ' ' SG ' ' B' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.129 0 N-CA-C 107.335 -2.306 . . . . 0.0 107.335 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 t -67.79 -179.56 1.18 Allowed 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 139.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.1 m80 43.81 48.78 6.93 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.359 1.864 . . . . 0.0 111.825 -172.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 28.4 ttt -152.7 150.05 29.04 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.217 1.007 . . . . 0.0 108.793 -175.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 65.27 25.52 12.22 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 126.912 2.085 . . . . 0.0 115.841 169.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -89.12 160.41 43.1 Favored Pre-proline 0 CA--C 1.538 0.505 0 C-N-CA 123.016 0.526 . . . . 0.0 110.24 -178.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -67.38 170.05 14.28 Favored 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 121.966 1.778 . . . . 0.0 110.432 168.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 57.13 -60.07 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.393 0 C-N-CA 129.916 3.287 . . . . 0.0 111.948 -167.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.8 ttm-85 -59.13 84.98 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 121.158 1.799 . . . . 0.0 111.785 -176.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -120.89 165.7 14.83 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.298 1.039 . . . . 0.0 109.321 -169.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.26 97.67 3.54 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.428 0.691 . . . . 0.0 109.523 -164.264 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.4 mt -83.51 96.6 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 172.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.9 tt -64.47 113.33 3.6 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 169.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.1 t -122.69 -169.66 1.95 Allowed 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 124.953 1.301 . . . . 0.0 108.534 171.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.2 m -121.07 156.38 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 165.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.151 ' SG ' 'ZN ' ' A' ' 57' ' ' ' ZN' . 30.6 t -66.72 125.29 25.36 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 170.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 37.3 t -48.89 -35.79 15.61 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.192 1.397 . . . . 0.0 112.78 -177.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -115.51 -11.3 11.8 Favored 'General case' 0 C--N 1.342 0.269 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -173.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.8 m -103.27 -15.1 16.08 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 119.6 1.091 . . . . 0.0 112.397 173.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.7 t0 49.47 29.01 2.67 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.481 1.912 . . . . 0.0 112.454 -168.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.57 143.46 16.73 Favored Glycine 0 C--N 1.34 0.785 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 -177.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -62.45 115.87 4.6 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 126.615 1.966 . . . . 0.0 109.259 -175.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.7 mt -118.65 119.12 60.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 172.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -84.1 85.78 7.3 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.991 0.916 . . . . 0.0 108.609 170.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.2 mt -68.85 97.48 0.84 Allowed 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 123.827 0.851 . . . . 0.0 108.891 -170.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.402 HG22 ' CG2' ' B' ' 48' ' ' VAL . 9.9 m -82.51 108.33 15.83 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 -177.435 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.5 m -125.1 120.43 58.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 N-CA-C 104.512 -2.403 . . . . 0.0 104.512 177.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -77.99 95.27 4.78 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 172.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -154.57 157.68 38.63 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 121.191 0.52 . . . . 0.0 110.732 169.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.9 m -54.51 148.63 11.83 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.482 1.513 . . . . 0.0 110.495 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.58 -43.74 76.27 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.676 -0.64 . . . . 0.0 112.245 -171.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -82.18 -20.56 37.58 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.628 -0.67 . . . . 0.0 112.695 -176.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -67.54 -46.33 73.09 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 168.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.48 -36.72 74.18 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.159 1.783 . . . . 0.0 111.705 172.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -73.24 -44.38 59.57 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 127.305 2.242 . . . . 0.0 109.525 -178.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.2 m -56.71 -46.31 81.32 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 172.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.81 -37.19 75.82 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.495 1.518 . . . . 0.0 112.412 171.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -64.03 -33.67 76.28 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 119.851 -1.78 . . . . 0.0 110.085 172.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -70.88 -30.14 66.43 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.413 -0.805 . . . . 0.0 110.245 172.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.3 mt -65.21 -32.82 74.69 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.095 0.861 . . . . 0.0 112.167 169.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -62.91 -48.51 78.66 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.444 1.02 . . . . 0.0 110.181 168.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.8 mt -64.18 -24.87 67.83 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.5 t -68.42 -83.56 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 127.578 2.351 . . . . 0.0 109.594 167.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.0 p -139.86 -15.03 1.04 Allowed 'General case' 0 C--N 1.344 0.348 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -177.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 tt -72.79 144.72 47.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 122.801 1.286 . . . . 0.0 112.81 -163.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.6 m -147.33 164.76 32.25 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 158.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -109.94 149.93 29.21 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -173.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . 0.301 2.2 t -138.84 103.49 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.093 0 C-N-CA 126.03 1.732 . . . . 0.0 107.375 -171.412 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.8 p -56.67 142.55 71.02 Favored Pre-proline 0 CA--C 1.534 0.358 0 C-N-CA 125.328 1.451 . . . . 0.0 109.808 -171.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -59.45 -28.1 86.67 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 121.595 1.53 . . . . 0.0 113.449 -168.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 37.7 t90 -56.59 -64.5 0.85 Allowed 'General case' 0 C--O 1.235 0.323 0 C-N-CA 124.874 1.269 . . . . 0.0 110.583 171.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 14.1 p -66.01 -30.68 71.27 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 118.24 0.473 . . . . 0.0 110.592 -178.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.37 -37.61 88.11 Favored 'General case' 0 N--CA 1.442 -0.851 0 O-C-N 123.139 0.274 . . . . 0.0 111.165 -177.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 31.3 m -75.83 -47.02 27.33 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.71 1.604 . . . . 0.0 110.397 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -68.5 -50.77 49.79 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.052 0.541 . . . . 0.0 111.165 -176.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.067 0 C-N-CA 127.918 2.487 . . . . 0.0 112.111 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.091 0 N-CA-C 107.203 -2.359 . . . . 0.0 107.203 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t 61.44 154.98 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.183 0.593 . . . . 0.0 109.923 -131.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 13.1 m80 50.67 22.18 1.05 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.637 1.575 . . . . 0.0 112.771 -176.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 16.5 ptm -83.03 62.4 6.54 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 125.383 1.473 . . . . 0.0 113.274 -158.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.75 45.03 0.06 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.016 1.726 . . . . 0.0 110.866 161.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -89.08 149.98 44.25 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 125.256 1.422 . . . . 0.0 110.237 -167.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -76.59 42.98 1.13 Allowed 'Trans proline' 0 CA--C 1.541 0.855 1 C-N-CA 125.31 4.007 . . . . 0.0 112.85 -171.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 15.5 mp0 -127.52 -52.43 1.37 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.958 1.703 . . . . 0.0 109.872 176.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.54 91.39 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.558 1.526 . . . . 0.0 110.539 -176.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 47.9 m170 -124.95 162.6 24.12 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.953 0.901 . . . . 0.0 109.543 -170.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.42 96.93 3.26 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -161.409 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 57.7 mt -83.16 95.32 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 105.665 -1.976 . . . . 0.0 105.665 170.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt -62.93 111.89 2.34 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 167.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 t -120.83 -172.22 2.34 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 124.981 1.313 . . . . 0.0 108.156 171.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 15.4 m -123.34 156.97 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 167.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 26.9 t -64.3 121.78 15.11 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 168.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 5.5 t -56.47 -19.15 13.92 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.507 1.123 . . . . 0.0 113.318 -171.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -125.83 -19.07 4.97 Favored 'General case' 0 C--N 1.342 0.27 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -171.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 14.5 p -114.99 0.38 13.66 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 120.224 1.375 . . . . 0.0 112.841 171.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 23.1 t0 56.61 21.48 5.81 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.589 1.956 . . . . 0.0 113.07 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.22 142.01 26.72 Favored Glycine 0 C--N 1.34 0.758 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -66.84 118.08 9.84 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 125.814 1.646 . . . . 0.0 109.294 -176.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 2.2 mt -125.17 112.76 32.66 Favored 'Isoleucine or valine' 0 C--N 1.341 0.203 0 CA-C-N 118.604 0.638 . . . . 0.0 109.498 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -83.52 83.96 7.7 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 171.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 46.6 mt -67.89 96.75 0.61 Allowed 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.05 0.94 . . . . 0.0 108.54 -170.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 33.5 m -87.01 100.1 12.37 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -175.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 m -106.73 117.14 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 103.085 -2.931 . . . . 0.0 103.085 176.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -84.59 96.77 9.28 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 104.715 -2.328 . . . . 0.0 104.715 175.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.6 t -157.31 156.55 32.59 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 123.199 0.6 . . . . 0.0 110.14 176.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.1 m -51.75 143.4 13.0 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 125.426 1.491 . . . . 0.0 110.093 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.36 -37.42 64.91 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -168.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -92.85 -15.43 26.47 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -175.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.93 -44.06 90.71 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 161.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.444 ' HA ' HD23 ' B' ' 37' ' ' LEU . 0.2 OUTLIER -61.6 -40.51 95.08 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.959 1.304 . . . . 0.0 111.838 173.615 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -65.73 -45.3 83.15 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 126.668 1.987 . . . . 0.0 109.06 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 27.9 m -56.49 -46.56 80.42 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 173.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -59.29 -35.62 74.08 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.959 1.304 . . . . 0.0 112.586 172.175 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -66.72 -31.67 72.48 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 119.955 -1.716 . . . . 0.0 110.331 172.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -71.42 -30.14 65.72 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.098 -1.001 . . . . 0.0 109.846 171.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.416 ' HA ' ' HB3' ' B' ' 43' ' ' SER . 81.6 mt -67.52 -30.61 70.32 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.726 0.694 . . . . 0.0 111.974 170.552 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -62.53 -50.89 69.57 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.459 1.027 . . . . 0.0 109.937 166.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 54.6 mt -62.76 -25.75 68.36 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' SER . . . . . 0.416 ' HB3' ' HA ' ' B' ' 40' ' ' LEU . 5.7 t -67.74 -83.56 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 127.284 2.234 . . . . 0.0 109.625 167.224 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 69.8 p -139.5 -15.81 1.06 Allowed 'General case' 0 C--N 1.345 0.389 0 N-CA-C 115.902 1.816 . . . . 0.0 115.902 -177.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 tt -69.92 143.14 52.81 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 122.86 1.314 . . . . 0.0 112.479 -164.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.0 m -147.6 168.43 22.03 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 125.289 1.436 . . . . 0.0 107.655 159.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -115.32 157.32 23.99 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 122.242 1.02 . . . . 0.0 108.672 -171.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.402 ' CG2' HG22 ' A' ' 26' ' ' THR . 0.0 OUTLIER -136.08 116.65 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.999 0 C-N-CA 126.098 1.759 . . . . 0.0 107.419 -179.636 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 14.0 p -60.01 155.73 41.85 Favored Pre-proline 0 CA--C 1.536 0.42 0 C-N-CA 123.497 0.719 . . . . 0.0 110.165 -175.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -59.06 -26.08 80.32 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 121.72 1.614 . . . . 0.0 113.153 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 81.9 t90 -61.84 -48.22 81.53 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 118.763 -0.637 . . . . 0.0 111.249 171.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 32.0 m -73.05 -29.49 63.02 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 118.833 0.742 . . . . 0.0 112.117 175.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.25 -32.57 73.28 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.342 0.974 . . . . 0.0 110.866 170.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 28.1 m -84.46 -43.03 15.0 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.64 1.176 . . . . 0.0 111.912 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -121.32 -16.65 7.85 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -165.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 C--O 1.253 1.277 0 C-N-CA 126.865 2.066 . . . . 0.0 111.866 -158.794 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . 1.151 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.183 0 N-CA-C 109.89 -1.284 . . . . 0.0 109.89 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -54.12 137.69 39.69 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.569 1.148 . . . . 0.0 110.37 174.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 -156.16 148.78 23.82 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.685 1.194 . . . . 0.0 107.932 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 41.7 tpp -162.68 157.95 22.46 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 125.33 1.452 . . . . 0.0 107.29 169.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -153.94 162.39 41.25 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 158.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -155.42 165.74 17.7 Favored Pre-proline 0 N--CA 1.448 -0.543 0 C-N-CA 124.367 1.067 . . . . 0.0 108.441 -165.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -74.05 176.73 9.12 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 121.883 1.722 . . . . 0.0 109.178 170.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . 0.256 1.4 mp0 67.22 -74.95 0.06 Allowed 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 126.159 1.783 . . . . 0.0 109.919 -179.183 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.73 92.17 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.38 1.872 . . . . 0.0 111.518 177.2 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -127.37 150.59 49.54 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 121.326 -0.859 . . . . 0.0 109.731 -174.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -131.06 95.3 3.77 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 122.908 0.483 . . . . 0.0 111.318 -158.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.5 mt -86.39 99.0 7.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tt -66.34 112.93 4.26 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 120.185 -1.572 . . . . 0.0 108.835 173.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.5 t -131.63 -162.15 1.2 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.183 0.993 . . . . 0.0 110.656 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.0 m -125.8 155.01 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.537 1.135 . . . . 0.0 108.923 170.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.124 ' SG ' 'ZN ' ' A' ' 57' ' ' ' ZN' . 38.5 t -73.17 133.41 44.05 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 124.055 0.942 . . . . 0.0 108.826 170.391 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.3 t -51.01 -41.12 59.57 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.0 0.92 . . . . 0.0 112.272 171.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.09 -12.34 2.85 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -159.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.0 m -82.23 -16.71 48.64 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.94 158.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.2 t0 43.34 64.14 1.32 Allowed 'General case' 0 C--N 1.346 0.429 0 C-N-CA 126.35 1.86 . . . . 0.0 111.108 -169.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.84 156.59 26.77 Favored Glycine 0 C--N 1.337 0.584 0 N-CA-C 110.421 -1.072 . . . . 0.0 110.421 -175.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.0 133.6 52.05 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 125.551 1.54 . . . . 0.0 109.394 -178.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.3 mt -123.3 151.08 27.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 167.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -116.15 84.28 2.09 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 175.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.7 mt -70.59 90.68 0.76 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.212 -1.358 . . . . 0.0 109.491 -161.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.2 m -86.98 88.27 7.66 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 -175.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.5 m -92.69 174.19 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 169.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -134.04 94.56 3.27 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 103.942 -2.614 . . . . 0.0 103.942 -172.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.4 m -151.2 150.6 30.81 Favored 'General case' 0 C--O 1.22 -0.496 0 O-C-N 120.08 -1.637 . . . . 0.0 110.417 -158.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.0 m -70.6 156.26 39.66 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 121.726 2.057 . . . . 0.0 108.7 171.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.1 -45.38 87.3 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.615 1.098 . . . . 0.0 113.025 -171.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -76.75 -19.42 57.65 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 121.659 0.742 . . . . 0.0 111.776 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -81.91 -38.36 25.43 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.457 1.503 . . . . 0.0 108.966 178.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.487 ' HA ' HD23 ' A' ' 37' ' ' LEU . 1.3 tt -57.99 -44.41 87.17 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 126.068 1.747 . . . . 0.0 109.775 164.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -64.31 -43.43 94.71 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 123.852 0.861 . . . . 0.0 109.933 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 85.3 m -56.7 -50.11 73.13 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 175.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -68.34 -23.69 64.73 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.295 -0.878 . . . . 0.0 112.516 176.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -67.7 -32.35 72.94 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 120.461 -1.399 . . . . 0.0 109.912 168.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -69.81 -35.42 74.81 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.066 -1.021 . . . . 0.0 109.781 171.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.9 mt -62.49 -29.38 70.5 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 118.762 0.71 . . . . 0.0 112.105 169.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.59 -50.13 68.41 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.033 1.733 . . . . 0.0 110.123 171.097 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 70.5 mt -66.71 -25.74 66.67 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.157 0.983 . . . . 0.0 112.43 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.9 t -66.81 -82.36 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 127.037 2.135 . . . . 0.0 109.557 170.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.9 p -138.93 -15.59 1.14 Allowed 'General case' 0 C--N 1.344 0.334 0 N-CA-C 116.137 1.903 . . . . 0.0 116.137 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.9 tt -72.28 109.06 5.76 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -166.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 p -96.7 176.44 6.0 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.249 1.02 . . . . 0.0 108.597 159.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -127.96 142.54 51.22 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.229 1.011 . . . . 0.0 110.733 -173.116 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.8 t -141.63 83.98 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.933 0 C-N-CA 126.493 1.917 . . . . 0.0 106.776 -163.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.0 p -55.37 159.21 4.71 Favored Pre-proline 0 N--CA 1.474 0.751 0 C-N-CA 127.047 2.139 . . . . 0.0 112.22 -176.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.439 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 14.4 Cg_endo -58.5 -25.77 75.5 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 122.379 2.053 . . . . 0.0 115.107 -170.193 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -58.47 -63.68 1.19 Allowed 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.325 1.05 . . . . 0.0 110.302 172.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.444 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 5.6 p -69.54 -24.13 63.68 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 119.161 0.891 . . . . 0.0 112.268 174.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.439 ' HB3' ' HA ' ' A' ' 50' ' ' PRO . . . -58.35 -39.18 78.83 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 118.192 -1.403 . . . . 0.0 109.612 176.172 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.7 m -74.62 -61.86 1.73 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 127.094 2.158 . . . . 0.0 111.357 173.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -78.37 -32.42 48.94 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.948 1.299 . . . . 0.0 113.341 -167.549 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--O 1.252 1.224 0 C-N-CA 129.613 3.165 . . . . 0.0 110.858 -159.28 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.964 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t 67.16 173.3 0.26 Allowed 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.958 1.703 . . . . 0.0 113.218 -178.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -135.89 -165.82 1.77 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 128.19 2.596 . . . . 0.0 104.169 158.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 49.57 102.34 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 129.053 2.941 . . . . 0.0 116.379 159.187 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.37 56.93 0.24 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.702 1.601 . . . . 0.0 112.229 173.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -77.94 156.9 79.54 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 124.438 1.095 . . . . 0.0 111.217 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.08 57.26 5.16 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 124.774 3.649 . . . . 0.0 112.434 -173.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 17.5 mp0 -127.78 -57.52 1.26 Allowed 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 126.126 1.771 . . . . 0.0 109.02 172.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.36 88.37 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 126.051 1.74 . . . . 0.0 112.101 179.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 58.6 m170 -124.62 161.26 26.63 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 125.136 1.374 . . . . 0.0 110.189 -167.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -136.79 90.18 2.52 Favored 'General case' 0 C--N 1.337 0.062 0 C-N-CA 124.134 0.974 . . . . 0.0 108.976 -160.3 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 18.9 mt -84.8 101.83 9.87 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.22 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 175.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 tt -65.69 116.35 6.82 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 120.597 -1.315 . . . . 0.0 108.355 171.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 3.7 t -131.25 -166.75 1.75 Allowed 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 126.734 2.014 . . . . 0.0 108.043 176.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 19.7 m -126.51 157.91 36.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-O 121.464 0.65 . . . . 0.0 110.093 169.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' CYS . . . . . 0.425 ' HB3' ' SG ' ' B' ' 19' ' ' CYS . 47.7 t -66.62 102.63 0.94 Allowed 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 161.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 15.0 t -50.19 -34.07 21.38 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.636 1.174 . . . . 0.0 112.934 -171.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' LYS . . . . . 0.464 ' HD3' ' CG1' ' B' ' 48' ' ' VAL . 21.5 ptmt -87.54 -16.96 33.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 125.248 1.419 . . . . 0.0 113.616 -174.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' CYS . . . . . 0.425 ' SG ' ' HB3' ' B' ' 16' ' ' CYS . 1.4 p -129.21 -0.55 5.14 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -179.315 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 21.8 t0 55.27 19.02 2.74 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 128.257 2.623 . . . . 0.0 113.576 -174.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.0 142.3 26.25 Favored Glycine 0 C--N 1.34 0.777 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 -177.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -64.36 122.27 16.29 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 125.798 1.639 . . . . 0.0 108.934 -176.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 5.8 mt -127.29 120.27 54.61 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 171.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -81.32 87.4 6.15 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 107.559 -1.275 . . . . 0.0 107.559 166.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 56.4 mt -65.33 97.31 0.27 Allowed 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 -172.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 81.7 m -92.75 92.31 7.9 Favored 'General case' 0 N--CA 1.435 -1.21 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 -171.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.437 HG21 HD21 ' B' ' 37' ' ' LEU . 11.4 m -115.52 139.11 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 -175.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -112.33 79.89 1.27 Allowed 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 105.899 -1.889 . . . . 0.0 105.899 -159.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -150.71 154.59 37.69 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.229 0.538 . . . . 0.0 111.176 -174.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.9 m -50.2 141.4 11.43 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 126.316 1.846 . . . . 0.0 109.665 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.54 -37.57 65.56 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -166.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -84.3 -25.53 29.22 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.619 0.645 . . . . 0.0 112.725 -176.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -67.41 -45.5 75.97 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.587 1.155 . . . . 0.0 108.249 169.566 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.531 ' HA ' HD23 ' B' ' 37' ' ' LEU . 1.3 tt -59.5 -44.22 93.15 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 125.131 1.372 . . . . 0.0 111.321 172.141 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -60.7 -46.11 91.65 Favored 'General case' 0 CA--C 1.51 -0.559 0 C-N-CA 127.006 2.122 . . . . 0.0 108.983 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 33.8 m -56.75 -50.47 72.17 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 175.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.531 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -52.7 -40.84 63.34 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.657 1.183 . . . . 0.0 111.457 170.805 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -68.89 -30.55 69.07 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 120.453 -1.404 . . . . 0.0 110.589 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -67.85 -36.61 80.62 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 119.08 0.855 . . . . 0.0 109.511 172.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 17.6 mt -57.1 -45.6 83.25 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-O 118.843 -0.599 . . . . 0.0 109.953 169.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -63.03 -42.65 99.83 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.02 0.827 . . . . 0.0 111.314 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 41.7 mt -64.6 -27.43 68.94 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.657 0.783 . . . . 0.0 111.866 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 7.3 t -83.08 -65.34 1.02 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.902 1.681 . . . . 0.0 112.298 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -143.93 -16.03 0.61 Allowed 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 -158.003 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mp -104.19 152.8 21.72 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -163.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -141.4 178.17 7.61 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.544 2.338 . . . . 0.0 109.657 174.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -133.68 164.54 26.97 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 124.337 1.055 . . . . 0.0 108.756 178.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.464 ' CG1' ' HD3' ' B' ' 18' ' ' LYS . 0.4 OUTLIER -133.93 118.38 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.123 0 C-N-CA 125.89 1.676 . . . . 0.0 109.061 -174.691 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 23.7 p -65.22 150.01 96.17 Favored Pre-proline 0 CA--C 1.538 0.482 0 O-C-N 121.494 -0.754 . . . . 0.0 109.686 178.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.16 -29.31 45.43 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.397 2.065 . . . . 0.0 114.62 -178.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 19.9 t90 -58.52 -69.65 0.18 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.144 1.378 . . . . 0.0 110.013 172.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 69.6 m -66.59 -26.91 67.33 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.506 0.722 . . . . 0.0 112.879 -175.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.48 -53.98 51.9 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 124.312 1.045 . . . . 0.0 110.502 171.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 28.9 m -69.73 -47.52 62.78 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.737 1.215 . . . . 0.0 110.485 -177.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -75.03 -29.73 60.88 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 118.15 -0.929 . . . . 0.0 111.867 -172.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.251 1.137 0 CA-C-O 115.298 -2.286 . . . . 0.0 109.801 -159.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . 1.124 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.042 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m -113.83 -3.24 13.48 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -163.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -75.74 -8.66 57.38 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 119.006 0.821 . . . . 0.0 112.214 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 15.3 tpt -141.9 150.89 42.1 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 173.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.91 149.26 30.94 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 164.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -140.12 150.46 61.91 Favored Pre-proline 0 CA--C 1.538 0.498 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -77.56 59.71 6.85 Favored 'Trans proline' 0 CA--C 1.537 0.666 0 C-N-CA 124.202 3.268 . . . . 0.0 111.572 -171.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -129.35 -55.39 1.17 Allowed 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.652 1.581 . . . . 0.0 109.31 178.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.451 ' HE ' ' CG2' ' A' ' 26' ' ' THR . 0.1 OUTLIER -57.35 100.81 0.05 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.714 1.143 . . . . 0.0 108.981 177.745 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -133.44 147.24 51.69 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.849 0.86 . . . . 0.0 110.395 -170.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -129.87 95.95 4.09 Favored 'General case' 0 CA--C 1.509 -0.628 0 C-N-CA 123.582 0.753 . . . . 0.0 111.129 -158.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.0 mt -87.08 94.59 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 N-CA-C 105.482 -2.044 . . . . 0.0 105.482 167.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.0 tt -63.66 104.61 0.68 Allowed 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 162.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -116.2 -170.06 1.73 Allowed 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.25 1.02 . . . . 0.0 109.27 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.3 m -124.2 155.07 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 124.077 0.951 . . . . 0.0 109.453 175.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.418 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 16.7 t -75.33 136.12 40.84 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.934 -174.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.7 t -50.75 -48.99 58.99 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 124.889 1.276 . . . . 0.0 111.688 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -101.77 -17.24 16.33 Favored 'General case' 0 C--N 1.341 0.207 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -164.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.6 p -133.08 2.26 3.6 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -174.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.4 t0 55.27 16.07 1.55 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.615 1.966 . . . . 0.0 113.734 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.64 148.33 38.37 Favored Glycine 0 C--N 1.339 0.706 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 -176.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -61.75 125.99 25.76 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 177.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.6 mt -125.1 111.58 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 171.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.41 102.77 2.72 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 163.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.2 mt -84.09 82.75 8.22 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 176.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.451 ' CG2' ' HE ' ' A' ' 9' ' ' ARG . 96.7 m -69.57 93.42 0.69 Allowed 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 159.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 m -88.58 162.6 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 N-CA-C 103.695 -2.706 . . . . 0.0 103.695 158.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -127.08 101.06 6.37 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 119.938 -1.727 . . . . 0.0 106.647 176.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -167.57 162.7 14.42 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 122.909 0.483 . . . . 0.0 110.492 169.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.4 m -49.41 145.97 4.29 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.627 1.571 . . . . 0.0 110.894 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.29 -37.26 67.1 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -166.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -79.53 -25.67 41.65 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.914 0.886 . . . . 0.0 113.103 -178.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -68.6 -45.98 70.52 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 171.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' ' 37' ' ' LEU . 1.1 tt -57.41 -44.59 84.7 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 124.439 1.096 . . . . 0.0 111.032 171.007 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -62.33 -42.72 99.61 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 125.421 1.488 . . . . 0.0 109.377 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.4 m -59.48 -47.47 85.37 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 174.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -53.31 -40.0 64.45 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.497 1.119 . . . . 0.0 111.442 169.748 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -70.11 -30.15 67.27 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 120.609 -1.307 . . . . 0.0 110.158 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -70.28 -35.32 73.66 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 119.152 0.887 . . . . 0.0 109.681 172.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.9 mt -64.44 -30.79 71.82 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 118.396 0.543 . . . . 0.0 111.304 169.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.3 -47.18 74.41 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.079 1.352 . . . . 0.0 110.59 172.204 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.3 mt -68.0 -26.96 66.16 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.39 1.076 . . . . 0.0 112.185 176.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.9 t -65.62 -77.9 0.06 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 127.562 2.345 . . . . 0.0 109.87 171.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.2 p -139.49 -25.37 0.84 Allowed 'General case' 0 C--N 1.343 0.297 0 N-CA-C 115.413 1.634 . . . . 0.0 115.413 176.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 tt -63.92 114.17 3.92 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 120.839 0.352 . . . . 0.0 111.811 -163.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.0 m -101.24 167.86 9.93 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 160.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -124.08 149.6 45.97 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 -178.157 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.567 HG21 ' CD ' ' B' ' 28' ' ' GLU 0.277 2.1 t -139.48 108.41 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 C-N-CA 124.827 1.251 . . . . 0.0 109.005 -169.405 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 p -61.17 146.35 88.51 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 125.751 1.62 . . . . 0.0 110.092 -172.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -59.59 -26.95 83.72 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.21 1.94 . . . . 0.0 113.846 -170.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -56.79 -66.02 0.52 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.986 1.314 . . . . 0.0 110.37 170.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.418 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 3.0 p -71.82 -16.77 62.17 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 118.17 0.441 . . . . 0.0 112.02 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.77 -42.79 76.94 Favored 'General case' 0 N--CA 1.436 -1.127 0 C-N-CA 119.743 -0.783 . . . . 0.0 109.074 173.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.2 m -70.89 -46.53 62.42 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.694 1.597 . . . . 0.0 110.775 177.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -79.02 -21.63 46.66 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.127 0.571 . . . . 0.0 112.52 -175.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 . . . . . 0 C--O 1.248 0.994 0 C-N-CA 125.863 1.665 . . . . 0.0 109.044 -160.342 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.177 0 N-CA-C 109.129 -1.588 . . . . 0.0 109.129 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -59.75 -24.91 64.44 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.042 0.921 . . . . 0.0 112.328 173.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 20.7 m170 -122.63 159.05 28.66 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 106.585 -1.635 . . . . 0.0 106.585 159.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 10.3 tpt -154.41 161.48 41.69 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 174.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . 149.21 133.97 0.0 OUTLIER 'General case' 0 C--O 1.232 0.177 1 C-N-CA 133.056 4.542 . . . . 0.0 105.766 179.125 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.54 151.28 15.4 Favored Pre-proline 0 N--CA 1.448 -0.543 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -158.326 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -83.79 35.63 0.56 Allowed 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 124.426 3.417 . . . . 0.0 112.225 -170.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 16.4 mp0 -129.33 -53.48 1.18 Allowed 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 125.117 1.367 . . . . 0.0 110.083 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.28 95.55 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.142 1.377 . . . . 0.0 110.714 -175.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 42.4 m170 -128.57 163.46 24.96 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.8 0.84 . . . . 0.0 109.42 -168.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.59 94.63 2.94 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 123.985 0.914 . . . . 0.0 109.061 -165.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 33.0 mt -83.05 95.21 3.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.283 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 172.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 tt -63.1 109.1 1.4 Allowed 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 166.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 3.4 t -120.75 -172.88 2.47 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.023 0.929 . . . . 0.0 108.609 169.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.0 m -119.14 152.96 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 171.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' CYS . . . . . 0.5 ' SG ' ' HA ' ' B' ' 48' ' ' VAL . 11.9 t -69.05 132.59 46.87 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.057 -178.352 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 29.0 t -55.57 -40.48 72.01 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.373 1.069 . . . . 0.0 112.138 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.48 -11.7 15.44 Favored 'General case' 0 C--N 1.345 0.405 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -169.412 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 31.1 p -135.46 3.81 3.09 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 20.2 t0 57.06 16.82 3.08 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.31 1.844 . . . . 0.0 113.907 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.16 147.54 39.57 Favored Glycine 0 C--N 1.34 0.764 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 -177.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -66.69 114.83 5.9 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 125.387 1.475 . . . . 0.0 109.202 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 16.8 mt -120.89 109.64 25.91 Favored 'Isoleucine or valine' 0 C--N 1.34 0.171 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 176.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -78.65 82.41 4.89 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 124.231 1.013 . . . . 0.0 108.71 168.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 24.4 mt -64.45 96.49 0.17 Allowed 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.735 1.214 . . . . 0.0 108.13 -172.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 24.5 m -85.57 95.87 9.46 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 -177.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 m -114.57 124.96 71.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 103.146 -2.909 . . . . 0.0 103.146 -178.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' GLU . . . . . 0.567 ' CD ' HG21 ' A' ' 48' ' ' VAL . 19.4 mt-10 -103.87 91.0 3.8 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 104.808 -2.293 . . . . 0.0 104.808 -169.242 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.7 t -153.18 156.37 38.44 Favored 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 124.322 1.049 . . . . 0.0 110.248 -176.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.9 m -51.87 141.56 17.19 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.953 1.301 . . . . 0.0 109.916 176.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.12 -34.49 63.77 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -165.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -97.16 -16.56 20.38 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -174.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -62.52 -45.21 94.04 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 159.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.47 ' HA ' HD23 ' B' ' 37' ' ' LEU . 0.5 OUTLIER -62.0 -42.15 98.84 Favored 'General case' 0 C--O 1.222 -0.358 0 C-N-CA 125.156 1.382 . . . . 0.0 111.915 174.514 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -63.95 -45.46 89.05 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 126.47 1.908 . . . . 0.0 109.222 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 30.3 m -56.14 -48.63 75.89 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 174.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -55.45 -38.49 69.11 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.753 1.221 . . . . 0.0 111.953 171.132 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -68.09 -30.12 69.23 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 120.224 -1.548 . . . . 0.0 110.312 176.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -70.56 -33.95 71.68 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 118.941 0.791 . . . . 0.0 109.837 172.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 40.7 mt -61.26 -39.53 90.72 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 118.478 0.581 . . . . 0.0 110.693 170.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' PHE . . . . . 0.422 ' CE1' ' HA ' ' B' ' 46' ' ' SER . 3.0 m-85 -61.09 -51.75 67.8 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.472 0.709 . . . . 0.0 110.142 172.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 37.4 mt -62.17 -30.45 71.07 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.934 0.894 . . . . 0.0 111.976 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 13.8 t -67.02 -66.88 0.5 Allowed 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 125.513 1.525 . . . . 0.0 110.536 170.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -152.15 -38.93 0.11 Allowed 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -158.441 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.8 tt -71.93 152.77 42.28 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 122.5 1.143 . . . . 0.0 112.511 -163.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' SER . . . . . 0.422 ' HA ' ' CE1' ' B' ' 41' ' ' PHE . 57.9 m -145.2 -179.19 6.47 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.029 -1.044 . . . . 0.0 109.368 164.101 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -127.13 156.72 41.32 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.391 1.076 . . . . 0.0 108.242 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.5 ' HA ' ' SG ' ' B' ' 16' ' ' CYS 0.325 0.5 OUTLIER -141.11 109.29 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -179.666 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 3.1 p -60.18 144.1 87.76 Favored Pre-proline 0 CA--C 1.535 0.37 0 C-N-CA 125.627 1.571 . . . . 0.0 110.532 -169.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.51 -28.53 86.84 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 121.688 1.592 . . . . 0.0 113.933 -167.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -57.04 -64.23 0.95 Allowed 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 172.094 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 1.3 p -65.97 -27.5 68.2 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 122.929 0.492 . . . . 0.0 110.971 -175.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.51 -18.24 55.05 Favored 'General case' 0 N--CA 1.442 -0.834 0 O-C-N 124.394 1.059 . . . . 0.0 111.827 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 27.7 m -90.48 -38.58 13.14 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.059 1.344 . . . . 0.0 110.783 169.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -62.59 -36.9 84.19 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.018 0.826 . . . . 0.0 110.488 172.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.256 1.406 0 C-N-CA 128.75 2.82 . . . . 0.0 115.963 158.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.057 0 N-CA-C 109.932 -1.267 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 m -60.08 149.92 31.02 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 117.746 0.773 . . . . 0.0 109.868 168.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -151.7 -70.43 0.16 Allowed 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.711 0.804 . . . . 0.0 109.119 174.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 20.2 ttt -139.73 92.77 2.59 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 -174.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.0 100.37 5.61 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.704 1.202 . . . . 0.0 109.825 -173.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -131.51 150.93 77.76 Favored Pre-proline 0 CA--C 1.539 0.531 0 C-N-CA 124.256 1.023 . . . . 0.0 109.302 -178.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -76.89 61.72 7.16 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 124.532 3.488 . . . . 0.0 111.567 -174.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.3 mp0 -126.82 -60.46 1.23 Allowed 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.412 1.485 . . . . 0.0 109.213 177.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.54 94.9 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.578 1.151 . . . . 0.0 110.602 -176.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 45.4 m170 -127.1 167.64 15.71 Favored 'General case' 0 C--N 1.34 0.159 0 CA-C-N 118.429 0.559 . . . . 0.0 110.567 -170.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -142.85 97.52 3.12 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 124.805 1.242 . . . . 0.0 109.189 -161.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.9 mt -85.5 94.25 3.97 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.319 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 168.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 tt -66.62 111.82 3.84 Favored 'General case' 0 N--CA 1.446 -0.643 0 O-C-N 120.438 -1.414 . . . . 0.0 108.69 169.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 t -120.11 -173.24 2.51 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 123.81 0.844 . . . . 0.0 109.124 167.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.8 m -121.24 153.45 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 167.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 14.0 t -69.0 131.0 44.37 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.002 -175.253 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.3 t -57.67 -36.14 71.51 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.082 0.553 . . . . 0.0 111.96 -173.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -111.12 -11.15 14.29 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -166.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 30.5 p -139.45 4.11 2.16 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.3 t0 57.74 17.4 4.11 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.941 2.097 . . . . 0.0 114.302 175.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.64 148.02 39.55 Favored Glycine 0 C--N 1.339 0.749 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -66.39 113.6 4.78 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 124.785 1.234 . . . . 0.0 108.98 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.3 mt -116.7 105.66 18.72 Favored 'Isoleucine or valine' 0 C--N 1.341 0.232 0 CA-C-O 121.914 0.864 . . . . 0.0 109.209 177.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -80.01 84.75 5.7 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.341 1.056 . . . . 0.0 108.803 169.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.8 mt -68.86 93.5 0.55 Allowed 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.572 0.749 . . . . 0.0 109.116 -171.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.455 HG22 HG23 ' B' ' 48' ' ' VAL . 8.4 m -87.7 98.84 11.67 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 -173.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.3 m -121.04 117.37 52.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 N-CA-C 104.205 -2.517 . . . . 0.0 104.205 -178.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -79.14 105.87 10.77 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 174.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.406 ' OG ' ' OD1' ' A' ' 33' ' ' ASP . 0.9 OUTLIER -159.69 155.76 26.61 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 118.213 0.46 . . . . 0.0 111.449 168.383 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.2 m -51.86 141.55 17.19 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.929 1.292 . . . . 0.0 109.903 176.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.53 -35.47 63.24 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -166.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -85.13 -25.52 27.44 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.406 ' OD1' ' OG ' ' A' ' 29' ' ' SER . 10.2 t70 -67.18 -44.21 80.23 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 169.219 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.599 ' HA ' HD23 ' A' ' 37' ' ' LEU . 2.8 tt -57.6 -48.97 77.94 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 124.681 1.193 . . . . 0.0 110.677 170.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -56.67 -47.35 80.0 Favored 'General case' 0 CA--C 1.51 -0.568 0 C-N-CA 125.417 1.487 . . . . 0.0 109.191 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.7 m -57.01 -48.28 78.85 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 124.177 0.923 . . . . 0.0 109.248 177.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.599 HD23 ' HA ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -58.62 -36.04 73.42 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.969 -0.457 . . . . 0.0 110.986 172.808 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -71.63 -24.93 61.96 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.82 -1.175 . . . . 0.0 111.12 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -71.88 -37.85 70.09 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 119.066 0.848 . . . . 0.0 109.45 170.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.7 mt -60.59 -35.1 75.27 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.669 0.668 . . . . 0.0 110.607 169.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.67 -48.44 77.19 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 125.13 1.372 . . . . 0.0 110.415 174.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.4 mt -63.47 -33.16 74.97 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.735 0.814 . . . . 0.0 112.063 176.093 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.1 t -74.78 -62.21 1.61 Allowed 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 125.881 1.672 . . . . 0.0 112.106 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.18 -35.11 0.44 Allowed 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -158.36 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.5 tt -89.36 143.56 26.73 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.638 0.775 . . . . 0.0 112.222 -161.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 p -127.97 -179.6 5.06 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 128.578 2.751 . . . . 0.0 108.38 168.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.426 ' CZ ' HG12 ' B' ' 27' ' ' VAL . 0.2 OUTLIER -139.48 155.27 47.66 Favored 'General case' 0 C--O 1.237 0.417 0 O-C-N 120.881 -1.137 . . . . 0.0 111.751 -177.83 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.9 t -145.66 98.73 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 C-N-CA 126.814 2.045 . . . . 0.0 107.493 -162.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.5 p -58.92 153.79 41.83 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 125.776 1.631 . . . . 0.0 110.486 -175.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -60.81 -25.24 80.8 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 122.155 1.903 . . . . 0.0 113.812 -174.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 14.4 t90 -56.59 -68.23 0.23 Allowed 'General case' 0 C--N 1.341 0.237 0 C-N-CA 125.076 1.35 . . . . 0.0 109.805 172.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 29.2 p -66.63 -27.19 67.49 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 118.41 0.55 . . . . 0.0 111.555 179.098 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.4 -38.19 86.18 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 118.77 -1.172 . . . . 0.0 110.255 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.9 m -75.35 -48.78 21.48 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.361 1.865 . . . . 0.0 111.329 175.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -80.9 -9.72 59.8 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.157 0.983 . . . . 0.0 113.006 -170.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.253 1.249 0 C-N-CA 127.947 2.499 . . . . 0.0 110.794 -171.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.119 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 91.9 p -140.89 -176.87 4.83 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.73 1.612 . . . . 0.0 107.217 169.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 65.6 m80 62.92 -17.23 0.05 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 127.117 2.167 . . . . 0.0 115.939 175.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 16.9 ttt -71.68 63.87 0.44 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.433 2.293 . . . . 0.0 111.992 -176.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -119.65 70.08 0.85 Allowed 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 128.073 2.549 . . . . 0.0 107.1 171.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -126.96 152.42 75.48 Favored Pre-proline 0 CA--C 1.538 0.515 0 C-N-CA 124.659 1.183 . . . . 0.0 109.295 -162.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -77.32 58.02 6.11 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 124.487 3.458 . . . . 0.0 111.919 -172.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -127.38 -58.95 1.25 Allowed 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.465 1.506 . . . . 0.0 109.593 176.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.17 95.99 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.198 1.399 . . . . 0.0 110.294 177.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 56.9 m170 -131.35 144.4 51.21 Favored 'General case' 0 C--O 1.227 -0.107 0 C-N-CA 124.495 1.118 . . . . 0.0 109.398 -165.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -124.02 88.49 2.92 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 124.668 1.187 . . . . 0.0 109.76 -158.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 14.5 mt -84.35 102.27 10.06 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.207 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt -68.39 115.07 7.4 Favored 'General case' 0 N--CA 1.446 -0.653 0 O-C-N 120.942 -1.099 . . . . 0.0 108.817 175.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 14.5 t -125.73 -172.79 2.68 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.568 1.947 . . . . 0.0 108.555 178.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 20.6 m -109.65 162.22 7.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 158.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' CYS . . . . . 1.146 ' SG ' 'ZN ' ' B' ' 57' ' ' ' ZN' . 38.4 t -64.28 131.85 48.53 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 161.342 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 35.9 t -51.31 -38.11 51.21 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.552 1.541 . . . . 0.0 111.828 178.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.18 -17.67 4.72 Favored 'General case' 0 C--N 1.343 0.314 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -171.007 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.1 m -83.76 -13.94 52.7 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.51 1.05 . . . . 0.0 110.95 167.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 25.9 t0 47.52 36.75 5.53 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.19 1.796 . . . . 0.0 111.994 -176.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -116.86 150.45 18.54 Favored Glycine 0 C--N 1.339 0.72 0 N-CA-C 108.804 -1.718 . . . . 0.0 108.804 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.36 132.16 47.72 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.78 0.832 . . . . 0.0 108.895 -172.527 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 44.2 mt -125.95 128.46 71.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 170.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -78.19 97.2 5.42 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 162.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.8 mt -73.03 90.99 1.54 Allowed 'General case' 0 C--O 1.234 0.263 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -178.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 22.0 m -79.63 97.16 6.41 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 172.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.426 HG12 ' CZ ' ' A' ' 47' ' ' PHE . 1.3 m -93.79 176.69 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 N-CA-C 104.725 -2.324 . . . . 0.0 104.725 164.19 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -135.74 88.31 2.39 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 6.1 t -159.11 155.47 27.35 Favored 'General case' 0 C--N 1.343 0.298 0 O-C-N 121.135 -0.978 . . . . 0.0 111.48 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 18.3 m -53.33 144.48 16.26 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 125.127 1.371 . . . . 0.0 110.128 177.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.11 -33.37 57.54 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -163.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -99.21 -19.26 17.22 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -173.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -64.41 -42.97 95.79 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 159.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.468 ' HA ' HD23 ' B' ' 37' ' ' LEU . 2.1 tt -61.89 -43.81 98.09 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 123.574 0.749 . . . . 0.0 111.55 174.219 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -56.9 -45.9 82.32 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 126.429 1.892 . . . . 0.0 109.015 175.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 22.2 m -58.3 -47.11 84.72 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 122.964 0.506 . . . . 0.0 109.652 174.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -55.31 -38.6 68.89 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.24 1.016 . . . . 0.0 111.516 170.12 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -70.16 -28.58 65.45 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 120.279 -1.513 . . . . 0.0 110.807 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -70.45 -34.41 72.41 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.179 -0.95 . . . . 0.0 109.58 171.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 67.6 mt -65.13 -30.13 71.03 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 118.84 -0.6 . . . . 0.0 111.354 169.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -64.26 -45.56 87.58 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.525 1.057 . . . . 0.0 110.622 169.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 64.7 mt -63.46 -25.81 68.44 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 175.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 6.4 t -69.56 -81.26 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.19 1.796 . . . . 0.0 109.937 168.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 35.5 p -144.69 -23.54 0.52 Allowed 'General case' 0 C--O 1.236 0.353 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 30.3 tp -54.86 113.73 1.45 Allowed 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 124.724 1.21 . . . . 0.0 110.449 -167.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 20.1 m -125.77 158.13 35.7 Favored 'General case' 0 N--CA 1.439 -0.991 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -116.32 145.22 43.35 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -172.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' VAL . . . . . 0.455 HG23 HG22 ' A' ' 26' ' ' THR . 0.5 OUTLIER -131.48 118.3 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.204 0 C-N-CA 125.888 1.675 . . . . 0.0 108.521 175.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 p -63.43 158.68 56.25 Favored Pre-proline 0 CA--C 1.54 0.564 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.117 -177.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.79 -27.4 26.88 Favored 'Trans proline' 0 CA--C 1.545 1.048 0 C-N-CA 121.303 1.335 . . . . 0.0 115.49 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 15.7 t90 -61.51 -65.82 0.63 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.173 0.989 . . . . 0.0 110.874 175.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.428 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 0.8 OUTLIER -59.83 -35.0 73.82 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 118.658 0.663 . . . . 0.0 111.08 177.035 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.43 -39.01 78.66 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 119.328 -0.368 . . . . 0.0 111.43 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 25.6 m -80.95 -50.07 10.19 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.983 1.313 . . . . 0.0 111.098 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.43 -44.95 49.53 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.739 0.816 . . . . 0.0 111.97 -172.455 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 . . . . . 0 C--O 1.251 1.16 0 C-N-CA 126.454 1.902 . . . . 0.0 110.494 -159.752 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ' ZN' . . . . . 1.146 'ZN ' ' SG ' ' B' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.155 0 N-CA-C 108.908 -1.677 . . . . 0.0 108.908 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.4 m 56.06 -169.63 0.09 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.858 0.863 . . . . 0.0 111.328 -168.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -149.4 163.39 37.89 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.89 1.276 . . . . 0.0 108.056 176.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 44.0 ttp 34.94 57.73 0.75 Allowed 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 127.42 2.288 . . . . 0.0 111.671 -173.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.34 93.77 3.12 Favored 'General case' 0 N--CA 1.44 -0.964 0 C-N-CA 126.19 1.796 . . . . 0.0 107.121 -175.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -116.05 155.94 47.41 Favored Pre-proline 0 N--CA 1.451 -0.417 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -174.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -70.61 167.29 25.98 Favored 'Trans proline' 0 N--CA 1.448 -1.162 0 N-CA-C 107.09 -1.927 . . . . 0.0 107.09 158.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . 0.296 2.0 mp0 67.37 -73.68 0.08 Allowed 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 116.464 -1.731 . . . . 0.0 110.815 176.363 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.2 83.65 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 127.48 2.312 . . . . 0.0 112.507 179.326 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.9 m170 -121.62 161.0 23.22 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 123.981 0.913 . . . . 0.0 109.395 -173.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.01 94.31 2.8 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.505 0.722 . . . . 0.0 109.38 -163.109 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.7 mt -83.82 102.28 9.58 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.258 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 175.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 tt -66.68 108.92 2.64 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 120.954 -1.091 . . . . 0.0 108.934 170.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.2 t -117.37 -175.84 2.89 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 127.675 2.39 . . . . 0.0 107.4 176.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.4 m -109.7 159.55 9.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 158.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.127 ' SG ' 'ZN ' ' A' ' 57' ' ' ' ZN' . 10.7 t -66.88 138.33 57.22 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 164.128 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.1 t -49.32 -45.71 45.77 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.384 0.674 . . . . 0.0 112.321 173.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.28 -18.33 8.64 Favored 'General case' 0 C--O 1.226 -0.139 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -161.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 m -81.8 -18.87 42.53 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 118.44 -0.791 . . . . 0.0 111.173 163.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.3 t0 40.99 52.48 3.32 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 126.029 1.732 . . . . 0.0 110.869 -166.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.71 151.4 20.37 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 125.01 1.29 . . . . 0.0 110.308 -172.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -59.56 119.45 7.56 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 127.234 2.214 . . . . 0.0 109.329 -171.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 32.1 mt -123.34 119.63 58.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 167.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -77.56 88.47 3.88 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.064 1.346 . . . . 0.0 108.49 167.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.9 mt -67.58 97.13 0.58 Allowed 'General case' 0 C--O 1.235 0.319 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -173.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.5 m -85.47 94.2 8.94 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 -176.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 m -114.81 141.74 30.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 105.212 -2.144 . . . . 0.0 105.212 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -109.79 88.7 2.81 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 103.314 -2.847 . . . . 0.0 103.314 -166.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.2 m -146.4 153.8 40.89 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.359 -158.294 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.0 m -68.16 159.29 31.34 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 120.459 1.482 . . . . 0.0 109.209 176.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.19 -47.94 83.85 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.705 1.139 . . . . 0.0 112.046 -175.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -78.73 -24.48 44.83 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.064 0.459 . . . . 0.0 111.727 -176.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -70.84 -40.86 72.14 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.105 0.962 . . . . 0.0 109.446 171.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.432 ' HA ' HD23 ' A' ' 37' ' ' LEU . 3.4 tt -60.45 -43.48 96.83 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 124.972 1.309 . . . . 0.0 109.888 171.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -58.46 -53.54 57.19 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 175.433 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.0 m -53.55 -53.25 54.28 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 125.526 1.531 . . . . 0.0 110.258 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -64.97 -30.59 71.59 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.738 -0.601 . . . . 0.0 110.766 179.528 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -70.58 -27.27 63.98 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 120.88 -1.137 . . . . 0.0 110.882 172.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -67.36 -35.65 79.79 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 120.305 1.411 . . . . 0.0 110.119 169.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.1 mt -58.09 -47.66 82.53 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 118.832 0.742 . . . . 0.0 110.053 168.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -57.19 -45.77 83.46 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.093 0.406 . . . . 0.0 111.265 173.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.74 -32.83 69.6 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.976 1.31 . . . . 0.0 111.911 175.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.9 t -72.25 -65.88 0.72 Allowed 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.32 1.048 . . . . 0.0 109.898 176.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.3 p -147.74 -24.82 0.37 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 -175.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.84 153.94 40.83 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -160.529 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 p -140.29 175.18 9.8 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 125.599 1.56 . . . . 0.0 109.552 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -128.62 153.44 47.26 Favored 'General case' 0 C--O 1.238 0.46 0 O-C-N 121.331 -0.856 . . . . 0.0 109.033 175.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.1 t -141.8 99.16 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.197 0 N-CA-C 106.129 -1.804 . . . . 0.0 106.129 -169.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 p -58.08 150.63 50.14 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-O 118.628 -0.701 . . . . 0.0 110.926 -173.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.21 -27.09 79.25 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 121.799 1.666 . . . . 0.0 113.073 -178.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 29.4 t90 -56.64 -63.07 1.32 Allowed 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.489 1.516 . . . . 0.0 110.875 171.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.8 p -70.63 -24.41 62.71 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 119.021 0.828 . . . . 0.0 112.326 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.04 -35.38 80.98 Favored 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 119.182 -1.007 . . . . 0.0 110.04 178.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.7 m -79.19 -51.44 9.49 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.65 1.58 . . . . 0.0 110.988 177.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -91.48 -27.53 18.2 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.04 0.755 . . . . 0.0 113.04 -166.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 . . . . . 0 C--O 1.253 1.279 0 C-N-CA 128.34 2.656 . . . . 0.0 112.827 -173.341 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.223 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 11.0 m 66.66 -55.94 0.41 Allowed 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 127.303 2.241 . . . . 0.0 114.02 177.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 60.22 -172.82 0.12 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.926 1.69 . . . . 0.0 111.412 -169.428 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 18.4 ptm -141.13 161.61 37.46 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 125.379 1.472 . . . . 0.0 107.372 163.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -158.58 72.85 0.61 Allowed 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 175.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -134.43 147.95 65.57 Favored Pre-proline 0 C--O 1.236 0.393 0 C-N-CA 123.17 0.588 . . . . 0.0 109.69 -169.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -77.03 72.37 5.88 Favored 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 124.271 3.314 . . . . 0.0 108.75 175.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -142.47 -64.22 0.42 Allowed 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -58.44 91.19 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.885 1.274 . . . . 0.0 110.756 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 56.0 m170 -124.36 163.37 21.87 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 125.433 1.493 . . . . 0.0 109.485 -170.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -138.69 93.06 2.68 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 121.982 -0.449 . . . . 0.0 110.243 -158.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 41.3 mt -83.23 101.71 8.25 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 177.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 5.7 tt -69.45 105.56 2.66 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 120.65 -1.282 . . . . 0.0 109.153 172.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 28.5 t -117.72 -173.11 2.37 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 128.175 2.59 . . . . 0.0 107.595 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 25.5 m -114.62 160.44 14.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 159.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' CYS . . . . . 1.137 ' SG ' 'ZN ' ' B' ' 57' ' ' ' ZN' . 45.0 t -68.68 135.69 51.75 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 165.117 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 9.2 t -56.97 -37.5 71.67 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 178.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.02 -20.8 8.57 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -166.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 5.9 m -85.02 -16.42 40.81 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 118.347 -0.835 . . . . 0.0 111.622 166.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 30.4 t0 42.21 50.69 4.5 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 126.084 1.753 . . . . 0.0 111.283 -170.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.86 149.03 18.68 Favored Glycine 0 C--N 1.337 0.612 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -176.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.19 112.58 1.41 Allowed 'General case' 0 C--O 1.232 0.136 0 C-N-CA 127.675 2.39 . . . . 0.0 108.894 -175.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 14.9 mt -112.14 115.32 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 166.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -75.93 87.98 2.9 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 125.004 1.321 . . . . 0.0 108.231 164.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 80.4 mt -70.44 93.85 0.91 Allowed 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.233 1.013 . . . . 0.0 109.527 -171.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 16.4 m -75.68 98.19 4.01 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 173.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 17.5 m -112.52 142.07 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 N-CA-C 104.363 -2.458 . . . . 0.0 104.363 172.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -104.39 91.61 3.98 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 103.831 -2.655 . . . . 0.0 103.831 -170.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.3 m -153.2 133.44 13.47 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 124.709 1.204 . . . . 0.0 111.447 -158.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 14.2 m -57.51 149.4 21.22 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.698 0.799 . . . . 0.0 110.365 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.3 -41.94 72.99 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.455 1.025 . . . . 0.0 113.435 -168.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -80.97 -22.28 39.66 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 121.679 -0.638 . . . . 0.0 112.636 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -74.28 -40.17 62.48 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 123.398 0.679 . . . . 0.0 109.207 173.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' B' ' 37' ' ' LEU . 3.3 tt -58.28 -45.12 88.47 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 125.553 1.541 . . . . 0.0 109.472 169.003 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -58.6 -53.93 52.75 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 176.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 62.0 m -52.92 -52.86 56.29 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.578 1.551 . . . . 0.0 110.21 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.2 OUTLIER -65.09 -31.81 73.21 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.708 -0.62 . . . . 0.0 110.61 179.377 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -69.77 -25.19 63.69 Favored 'General case' 0 CA--C 1.546 0.788 0 O-C-N 120.317 -1.489 . . . . 0.0 110.912 172.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -69.88 -35.23 74.5 Favored 'General case' 0 C--N 1.345 0.376 0 CA-C-N 119.854 1.206 . . . . 0.0 109.851 169.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 14.9 mt -57.4 -44.41 84.53 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.781 0.719 . . . . 0.0 110.239 167.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -60.55 -47.4 86.33 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 118.319 0.509 . . . . 0.0 110.825 176.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 16.6 mt -60.11 -30.85 69.54 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.707 0.803 . . . . 0.0 112.328 175.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 18.3 t -69.63 -65.22 0.74 Allowed 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.877 0.871 . . . . 0.0 109.743 174.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 65.6 p -150.3 -23.47 0.24 Allowed 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -176.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.73 152.7 42.55 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -159.754 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.1 p -138.07 173.28 11.79 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.165 1.786 . . . . 0.0 109.346 178.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -131.69 153.65 49.79 Favored 'General case' 0 C--O 1.237 0.431 0 O-C-N 121.188 -0.945 . . . . 0.0 109.22 178.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 13.0 t -139.51 96.47 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.062 0 C-N-CA 126.334 1.853 . . . . 0.0 106.158 -169.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 3.4 p -57.4 154.79 21.54 Favored Pre-proline 0 CA--C 1.539 0.524 0 C-N-CA 124.669 1.188 . . . . 0.0 111.118 -174.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' PRO . . . . . 0.445 ' HA ' ' HB3' ' B' ' 53' ' ' ALA . 18.3 Cg_endo -58.9 -24.19 71.38 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 122.393 2.062 . . . . 0.0 113.887 -175.377 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 26.1 t90 -57.51 -65.24 0.66 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.421 1.488 . . . . 0.0 110.44 171.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 14.0 p -70.21 -23.05 62.88 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 119.11 0.868 . . . . 0.0 112.523 175.369 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.445 ' HB3' ' HA ' ' B' ' 50' ' ' PRO . . . -60.67 -39.9 90.1 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 118.259 -1.376 . . . . 0.0 109.675 177.307 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 24.2 m -71.57 -54.38 10.67 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 127.28 2.232 . . . . 0.0 111.235 173.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -87.26 -12.55 46.33 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -166.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 . . . . . 0 C--O 1.249 1.042 0 C-N-CA 127.218 2.207 . . . . 0.0 109.937 -166.326 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . 1.127 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ' ZN' . . . . . 1.137 'ZN ' ' SG ' ' B' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.092 0 N-CA-C 110.05 -1.22 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 m -64.74 90.68 0.08 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.067 1.347 . . . . 0.0 110.354 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -130.97 -0.41 4.18 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.246 1.018 . . . . 0.0 112.441 -173.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 51.0 ttm -67.63 114.06 5.95 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.98 0.912 . . . . 0.0 108.742 173.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -146.91 136.14 22.62 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 105.795 -1.928 . . . . 0.0 105.795 166.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -136.22 159.18 71.84 Favored Pre-proline 0 C--O 1.237 0.433 0 CA-C-O 118.867 -0.587 . . . . 0.0 109.972 -158.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -75.84 60.25 5.98 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 124.141 3.228 . . . . 0.0 110.287 178.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -134.1 -72.63 0.49 Allowed 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.991 1.716 . . . . 0.0 107.906 -171.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.53 90.04 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 126.289 1.836 . . . . 0.0 111.253 -178.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 44.4 m170 -120.8 165.59 14.93 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 124.319 1.048 . . . . 0.0 109.912 -173.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.36 96.94 3.46 Favored 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 123.739 0.816 . . . . 0.0 109.172 -163.324 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.9 mt -85.89 101.39 10.17 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.242 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 173.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tt -67.67 113.82 5.77 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 120.889 -1.132 . . . . 0.0 108.634 172.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.7 t -125.04 -175.59 3.33 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 127.039 2.136 . . . . 0.0 107.697 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.3 m -113.43 158.5 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 159.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 14.7 t -72.09 129.72 39.19 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 168.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.3 t -57.38 -35.83 70.49 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -173.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -105.91 -11.14 16.3 Favored 'General case' 0 C--N 1.339 0.115 0 C-N-CA 124.731 1.213 . . . . 0.0 113.351 -170.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.0 m -105.03 -19.34 13.86 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.736 0.814 . . . . 0.0 112.631 173.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.6 t0 48.22 31.79 2.78 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.864 1.666 . . . . 0.0 111.985 -164.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.62 145.4 15.97 Favored Glycine 0 C--N 1.34 0.799 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 -175.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -60.99 113.71 2.69 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 126.75 2.02 . . . . 0.0 109.057 -174.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.4 mt -114.82 118.34 58.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 168.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -78.15 89.51 4.25 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 164.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.6 mt -68.65 95.58 0.66 Allowed 'General case' 0 C--N 1.344 0.341 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -171.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.4 m -80.23 101.82 9.1 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 177.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 m -118.18 134.36 62.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 104.521 -2.4 . . . . 0.0 104.521 177.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -98.92 88.52 4.02 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 102.916 -2.994 . . . . 0.0 102.916 -168.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.5 m -148.18 130.3 15.45 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 120.883 -1.136 . . . . 0.0 110.956 -158.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.5 m -60.32 143.43 52.95 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -174.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.31 -36.24 41.7 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -162.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -99.06 -14.31 19.48 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -176.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -71.24 -39.64 71.54 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 124.514 1.126 . . . . 0.0 108.357 162.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.547 ' HA ' HD23 ' A' ' 37' ' ' LEU . 4.2 tt -61.15 -46.51 90.26 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 125.66 1.584 . . . . 0.0 110.149 169.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -56.15 -50.67 70.5 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 123.981 0.912 . . . . 0.0 108.648 175.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.6 m -56.21 -52.32 64.85 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.164 0.986 . . . . 0.0 110.08 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.547 HD23 ' HA ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -63.16 -30.28 71.46 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.834 -0.541 . . . . 0.0 111.02 178.221 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -71.01 -28.04 64.12 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 120.343 -1.473 . . . . 0.0 111.0 173.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -68.1 -36.17 79.36 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 119.697 1.135 . . . . 0.0 109.381 170.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.1 mt -56.83 -46.14 81.87 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 118.578 0.626 . . . . 0.0 110.442 166.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -60.14 -43.4 95.72 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.325 0.966 . . . . 0.0 111.433 177.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.5 mt -64.6 -28.87 69.92 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.841 0.856 . . . . 0.0 112.259 176.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.5 t -82.63 -57.18 3.44 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.626 1.17 . . . . 0.0 111.625 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 p -146.26 -24.55 0.44 Allowed 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.94 1.696 . . . . 0.0 115.478 -158.385 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.33 152.21 20.2 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 -158.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 p -138.74 173.84 11.15 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.46 1.904 . . . . 0.0 109.286 175.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -129.62 154.0 47.53 Favored 'General case' 0 C--O 1.238 0.48 0 O-C-N 121.108 -0.995 . . . . 0.0 109.145 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . 0.257 2.1 t -138.23 102.33 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 C-N-CA 125.508 1.523 . . . . 0.0 108.44 -175.557 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.4 p -57.03 145.82 63.21 Favored Pre-proline 0 CA--C 1.54 0.594 0 C-N-CA 124.353 1.061 . . . . 0.0 111.263 -174.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -61.7 -26.45 79.98 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 121.812 1.675 . . . . 0.0 113.515 -172.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 28.3 t90 -58.21 -62.5 1.79 Allowed 'General case' 0 C--O 1.235 0.31 0 C-N-CA 124.292 1.037 . . . . 0.0 110.317 171.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 4.3 p -68.68 -23.33 64.38 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 118.885 -0.579 . . . . 0.0 111.755 -176.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.55 -47.05 64.95 Favored 'General case' 0 N--CA 1.438 -1.043 0 O-C-N 123.904 0.752 . . . . 0.0 109.577 176.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.4 m -62.87 -43.91 97.54 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.42 1.088 . . . . 0.0 110.038 178.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -71.19 -44.4 65.52 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-O 118.872 -0.585 . . . . 0.0 111.903 -177.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.412 ' OE1' ' HA3' ' B' ' 1' ' ' GLY . 40.2 tt0 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 115.232 -2.318 . . . . 0.0 109.468 -159.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.412 ' HA3' ' OE1' ' A' ' 56' ' ' GLN . . . . . . . . 0 N--CA 1.466 0.671 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 10.6 t -156.76 -164.37 1.62 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.32 1.448 . . . . 0.0 110.08 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.93 142.43 46.25 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.466 0.707 . . . . 0.0 109.571 160.327 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 58.6 ttm -153.83 150.01 27.99 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 105.955 -1.869 . . . . 0.0 105.955 166.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.35 72.78 4.89 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.41 1.084 . . . . 0.0 109.48 174.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -85.89 150.6 53.32 Favored Pre-proline 0 CA--C 1.536 0.416 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -176.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -72.48 160.36 46.92 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 122.228 1.952 . . . . 0.0 108.504 162.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 74.54 -66.98 0.27 Allowed 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 126.453 1.901 . . . . 0.0 107.706 176.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -58.19 82.96 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.823 2.449 . . . . 0.0 112.805 -177.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -117.69 166.74 12.06 Favored 'General case' 0 CA--C 1.529 0.15 0 O-C-N 121.333 -0.854 . . . . 0.0 109.538 -174.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -137.22 93.78 2.86 Favored 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 123.559 0.744 . . . . 0.0 109.131 -158.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 27.0 mt -85.29 101.6 9.96 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.187 0 N-CA-C 105.919 -1.882 . . . . 0.0 105.919 173.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 tt -65.86 114.27 4.97 Favored 'General case' 0 N--CA 1.448 -0.533 0 O-C-N 121.006 -1.059 . . . . 0.0 108.21 170.339 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 17.5 t -119.71 -176.1 3.1 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 126.41 1.884 . . . . 0.0 107.76 172.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -111.61 159.08 11.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 159.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' CYS . . . . . 1.129 ' SG ' 'ZN ' ' B' ' 57' ' ' ' ZN' . 17.0 t -69.56 127.46 33.06 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 167.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 7.1 t -53.46 -34.91 59.71 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.633 0.773 . . . . 0.0 112.799 -174.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 4.6 ptpt -106.07 -22.01 12.99 Favored 'General case' 0 C--N 1.341 0.205 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -174.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.0 m -94.12 -17.5 22.74 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 118.758 0.708 . . . . 0.0 111.228 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 27.5 t0 46.76 36.13 3.61 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.108 1.763 . . . . 0.0 111.435 -166.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -110.01 146.02 17.1 Favored Glycine 0 C--N 1.34 0.785 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -176.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -60.08 117.31 4.96 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 126.136 1.774 . . . . 0.0 108.78 -174.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 15.9 mt -117.0 121.75 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 167.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -76.46 94.7 3.71 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 162.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 40.1 mt -72.52 93.78 1.61 Allowed 'General case' 0 C--O 1.235 0.309 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 8.2 m -81.74 93.5 6.82 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 178.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 10.7 m -109.53 128.47 65.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 104.161 -2.533 . . . . 0.0 104.161 -177.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -94.54 80.15 3.85 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 -169.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -145.57 123.65 12.13 Favored 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 125.473 1.509 . . . . 0.0 109.712 -158.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.6 m -57.83 147.53 28.08 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 125.171 1.388 . . . . 0.0 109.094 -171.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.91 -38.5 36.31 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 -162.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -98.83 -12.4 20.87 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -176.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -72.58 -40.58 66.48 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 125.451 1.5 . . . . 0.0 108.476 163.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' B' ' 37' ' ' LEU . 1.3 tt -60.93 -46.12 91.98 Favored 'General case' 0 C--N 1.343 0.32 0 C-N-CA 125.99 1.716 . . . . 0.0 109.623 169.513 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -59.09 -50.31 74.55 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 124.021 0.928 . . . . 0.0 108.615 177.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 75.6 m -55.67 -51.02 68.68 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 122.95 0.5 . . . . 0.0 109.754 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.2 OUTLIER -66.3 -28.26 68.55 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 121.78 -0.575 . . . . 0.0 111.839 178.826 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -66.96 -34.09 77.0 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 120.211 -1.556 . . . . 0.0 109.678 170.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -67.14 -35.72 80.31 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 119.536 1.062 . . . . 0.0 109.581 173.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 32.5 mt -57.14 -44.55 83.48 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 118.647 0.658 . . . . 0.0 110.593 168.002 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -61.95 -44.17 97.32 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.325 0.966 . . . . 0.0 111.382 177.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 38.1 mt -64.16 -28.51 69.81 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.639 0.775 . . . . 0.0 111.983 176.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 11.2 t -81.2 -63.2 1.45 Allowed 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.837 1.655 . . . . 0.0 112.298 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.41 -19.62 0.69 Allowed 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 116.192 1.923 . . . . 0.0 116.192 -158.347 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 mp -105.25 154.32 20.39 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 115.219 1.563 . . . . 0.0 115.219 -160.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.8 p -142.96 175.9 9.49 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.356 1.862 . . . . 0.0 109.42 178.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -133.46 153.88 51.26 Favored 'General case' 0 C--O 1.237 0.404 0 O-C-N 120.914 -1.116 . . . . 0.0 109.273 178.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 2.3 t -139.44 102.83 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.046 0 C-N-CA 125.968 1.707 . . . . 0.0 107.104 -173.348 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 4.3 p -56.67 146.66 55.35 Favored Pre-proline 0 N--CA 1.473 0.693 0 C-N-CA 124.62 1.168 . . . . 0.0 111.006 -173.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -59.59 -27.77 85.78 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 121.924 1.749 . . . . 0.0 114.002 -172.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -57.22 -65.14 0.67 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.581 1.152 . . . . 0.0 110.17 170.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.41 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 10.8 p -66.55 -26.81 67.3 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 118.585 0.629 . . . . 0.0 111.361 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.89 -39.76 90.49 Favored 'General case' 0 N--CA 1.438 -1.059 0 O-C-N 121.734 -0.604 . . . . 0.0 109.63 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 21.7 m -76.76 -47.38 21.89 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.802 1.641 . . . . 0.0 111.258 176.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.425 HD22 ' N ' ' B' ' 55' ' ' ASN . 0.9 OUTLIER -78.58 -15.83 58.1 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.15 0.98 . . . . 0.0 113.466 -169.736 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.246 0.908 0 C-N-CA 127.666 2.386 . . . . 0.0 109.321 -163.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ' ZN' . . . . . 1.129 'ZN ' ' SG ' ' B' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.134 0 N-CA-C 109.056 -1.617 . . . . 0.0 109.056 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 t -65.82 164.99 13.69 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 117.869 0.835 . . . . 0.0 109.533 165.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -154.41 41.64 0.49 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.483 1.913 . . . . 0.0 108.603 -177.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 19.1 ttt -131.84 127.53 36.77 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 125.274 1.43 . . . . 0.0 107.913 -174.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -167.91 100.18 0.46 Allowed 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 126.764 2.026 . . . . 0.0 109.912 -169.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 -137.22 162.48 55.15 Favored Pre-proline 0 C--O 1.235 0.325 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -176.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -65.56 176.16 3.7 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 121.814 1.676 . . . . 0.0 110.938 173.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 61.47 -75.02 0.03 OUTLIER 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 127.674 2.39 . . . . 0.0 110.465 -171.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.09 83.59 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 127.933 2.493 . . . . 0.0 112.981 -177.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.9 m170 -121.93 165.78 15.44 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.997 1.319 . . . . 0.0 109.885 -171.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.24 102.57 4.53 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 123.617 0.767 . . . . 0.0 109.314 -166.269 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.5 mt -89.31 100.17 10.39 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.239 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 173.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 tt -68.11 114.54 6.71 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 120.73 -1.231 . . . . 0.0 109.02 171.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.0 t -126.79 -170.52 2.22 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.664 1.586 . . . . 0.0 109.188 173.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.6 m -125.43 155.79 34.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 C-N-CA 123.7 0.8 . . . . 0.0 109.849 172.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.135 ' SG ' 'ZN ' ' A' ' 57' ' ' ' ZN' . 9.1 t -78.92 123.36 27.19 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 125.001 1.32 . . . . 0.0 109.304 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.6 t -67.41 -28.28 67.78 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.678 1.126 . . . . 0.0 112.61 -172.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.25 -16.92 28.41 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-N 119.035 0.834 . . . . 0.0 111.67 -172.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.8 p -140.98 2.52 1.74 Allowed 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 -172.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.8 t0 51.06 25.8 2.48 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 127.709 2.404 . . . . 0.0 113.621 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.37 146.05 31.25 Favored Glycine 0 C--N 1.339 0.727 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -66.49 120.23 13.03 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 125.384 1.473 . . . . 0.0 108.7 176.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.5 mt -123.38 112.12 32.19 Favored 'Isoleucine or valine' 0 C--N 1.341 0.209 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 175.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -80.0 86.98 5.43 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 168.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.6 mt -68.42 96.07 0.66 Allowed 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -171.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.0 m -84.03 103.71 13.49 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 -178.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.467 HG12 ' CZ ' ' B' ' 47' ' ' PHE . 3.3 m -119.33 148.82 22.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 105.682 -1.97 . . . . 0.0 105.682 178.176 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -120.99 82.21 1.89 Allowed 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 -161.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 t -155.66 169.02 25.29 Favored 'General case' 0 C--N 1.345 0.381 0 C-N-CA 123.118 0.567 . . . . 0.0 112.261 -170.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.4 m -62.39 150.95 38.33 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.117 0.567 . . . . 0.0 109.834 175.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.12 -44.6 87.82 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -171.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -69.52 -31.73 70.15 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -69.19 -47.25 65.41 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.544 1.138 . . . . 0.0 108.847 176.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.62 -42.6 67.9 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 126.909 2.084 . . . . 0.0 111.661 170.439 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -71.88 -45.5 61.06 Favored 'General case' 0 CA--C 1.507 -0.684 0 C-N-CA 126.814 2.045 . . . . 0.0 108.55 -175.222 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.5 m -55.39 -49.85 71.26 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 173.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.5 -40.07 68.17 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.727 1.211 . . . . 0.0 111.878 171.001 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -65.33 -35.03 79.73 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 120.78 -1.2 . . . . 0.0 109.48 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -69.54 -31.74 70.13 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 119.71 1.141 . . . . 0.0 110.735 175.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.6 mt -58.69 -49.63 76.85 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 119.164 0.893 . . . . 0.0 109.838 168.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.09 -42.54 94.86 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 122.635 0.374 . . . . 0.0 111.362 177.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.87 -38.5 85.81 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.004 1.322 . . . . 0.0 110.599 175.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.6 t -67.18 -62.44 1.43 Allowed 'General case' 0 C--N 1.342 0.24 0 C-N-CA 123.85 0.86 . . . . 0.0 110.443 177.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.3 p -151.78 -30.08 0.17 Allowed 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.834 1.254 . . . . 0.0 114.361 -167.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mp -76.24 151.61 36.77 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -162.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.9 p -146.3 172.59 13.25 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 122.43 1.109 . . . . 0.0 110.896 170.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.447 ' CD2' HG12 ' B' ' 27' ' ' VAL . 16.5 t80 -118.77 151.57 37.79 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 106.093 -1.817 . . . . 0.0 106.093 -178.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.523 ' HB ' ' SG ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -119.49 108.06 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 O-C-N 124.081 0.863 . . . . 0.0 108.913 169.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.5 p -52.42 147.51 14.05 Favored Pre-proline 0 CA--C 1.535 0.371 0 C-N-CA 125.087 1.355 . . . . 0.0 110.363 -175.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -58.59 -28.44 85.92 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 121.699 1.599 . . . . 0.0 112.932 -176.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -53.4 -61.44 2.3 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.225 1.01 . . . . 0.0 110.605 166.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.523 ' SG ' ' HB ' ' A' ' 48' ' ' VAL . 0.5 OUTLIER -68.41 -30.76 69.74 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 118.897 -0.573 . . . . 0.0 111.558 -175.45 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.74 -33.89 76.63 Favored 'General case' 0 N--CA 1.446 -0.667 0 O-C-N 123.64 0.587 . . . . 0.0 110.839 176.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.1 m -77.11 -43.59 33.58 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.054 0.942 . . . . 0.0 110.816 176.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -68.3 -39.64 82.01 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 118.448 0.567 . . . . 0.0 111.357 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.163 0 C-N-CA 129.9 3.28 . . . . 0.0 113.287 -176.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.17 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 10.7 t -154.62 -177.02 6.19 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.927 1.291 . . . . 0.0 107.528 172.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -142.73 176.79 8.78 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.061 1.744 . . . . 0.0 108.498 177.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -158.7 -178.44 7.26 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.936 0.894 . . . . 0.0 110.892 -170.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . 59.05 20.78 8.64 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.599 1.96 . . . . 0.0 114.235 174.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -80.44 162.37 61.26 Favored Pre-proline 0 CA--C 1.537 0.472 0 C-N-CA 124.769 1.228 . . . . 0.0 110.063 173.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -73.22 63.32 4.29 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 124.315 3.344 . . . . 0.0 110.531 175.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -130.31 -76.75 0.54 Allowed 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 125.788 1.635 . . . . 0.0 108.249 -175.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -55.16 92.55 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.879 2.072 . . . . 0.0 111.474 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -120.2 168.55 11.11 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.392 1.077 . . . . 0.0 110.341 -174.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -136.53 87.43 2.29 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 124.39 1.076 . . . . 0.0 108.66 -163.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 27.9 mt -82.64 100.07 6.06 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 177.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 tt -68.72 110.72 4.44 Favored 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 121.137 -0.977 . . . . 0.0 108.906 173.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 89.0 m -120.43 -172.65 2.41 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.906 1.282 . . . . 0.0 109.089 170.144 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -115.0 152.94 16.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 164.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' CYS . . . . . 1.146 ' SG ' 'ZN ' ' B' ' 57' ' ' ' ZN' . 44.0 t -67.14 130.36 42.85 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 170.231 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 10.0 t -52.77 -33.18 47.36 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.939 0.896 . . . . 0.0 113.315 -177.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.71 -18.41 8.99 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -170.181 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 m -90.14 -19.01 24.77 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 118.549 -0.738 . . . . 0.0 111.597 168.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 26.9 t0 46.08 37.68 4.06 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.958 1.703 . . . . 0.0 111.488 -166.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -112.96 147.21 18.48 Favored Glycine 0 C--N 1.339 0.728 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 -176.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -61.18 111.59 1.78 Allowed 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 127.321 2.249 . . . . 0.0 109.714 -173.324 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 34.0 mt -107.99 116.62 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 169.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -80.09 88.45 5.4 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 165.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.4 mt -65.88 99.31 0.47 Allowed 'General case' 0 C--N 1.342 0.262 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -174.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.435 HG22 HG23 ' A' ' 48' ' ' VAL 0.256 1.2 m -86.69 88.13 7.6 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 -173.91 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.447 HG12 ' CD2' ' A' ' 47' ' ' PHE . 6.5 m -116.56 113.05 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 -172.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -69.54 97.58 1.04 Allowed 'General case' 0 C--O 1.233 0.226 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 170.334 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.0 m -160.25 117.54 2.51 Favored 'General case' 0 N--CA 1.435 -1.217 0 O-C-N 120.779 -1.201 . . . . 0.0 110.305 -159.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 11.2 m -61.99 140.01 58.37 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 124.874 1.27 . . . . 0.0 108.055 -170.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.75 -44.06 27.75 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -165.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -80.85 -28.16 36.17 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 122.02 0.914 . . . . 0.0 111.873 -172.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -73.02 -42.98 62.62 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 125.014 1.326 . . . . 0.0 108.956 172.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.434 ' HA ' HD23 ' B' ' 37' ' ' LEU . 0.3 OUTLIER -57.67 -39.13 76.4 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 125.733 1.613 . . . . 0.0 111.034 172.225 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -68.0 -46.05 72.38 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 126.337 1.855 . . . . 0.0 108.727 177.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 33.8 m -56.61 -47.87 78.71 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 173.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -55.69 -39.84 71.56 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.572 1.549 . . . . 0.0 111.23 170.725 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -66.15 -31.13 71.8 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.513 -1.367 . . . . 0.0 109.495 177.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -72.45 -34.06 67.49 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 121.104 -0.998 . . . . 0.0 110.296 173.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 64.5 mt -61.06 -35.24 76.42 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.711 1.141 . . . . 0.0 110.59 167.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.65 -50.11 73.84 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 124.665 1.186 . . . . 0.0 109.871 175.32 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 58.0 mt -65.09 -31.68 73.01 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.006 0.922 . . . . 0.0 112.197 175.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 12.1 t -63.93 -55.26 23.88 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 125.34 1.456 . . . . 0.0 110.225 176.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 18.6 m -165.35 -31.16 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.145 0.978 . . . . 0.0 113.004 -175.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.3 tt -66.25 108.05 2.17 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 119.555 1.07 . . . . 0.0 112.17 -163.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.6 p -87.3 172.78 9.61 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 122.32 1.057 . . . . 0.0 108.291 160.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' PHE . . . . . 0.467 ' CZ ' HG12 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -131.21 147.62 52.62 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 124.103 0.961 . . . . 0.0 109.443 -177.119 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 10.5 t -142.44 102.09 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.93 0 C-N-CA 126.231 1.812 . . . . 0.0 106.794 -165.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 5.2 p -59.62 152.5 56.35 Favored Pre-proline 0 CA--C 1.54 0.567 0 C-N-CA 124.258 1.023 . . . . 0.0 110.996 -176.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -60.54 -25.76 81.36 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 122.471 2.114 . . . . 0.0 113.534 -173.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 21.9 t90 -57.06 -65.15 0.67 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.754 1.622 . . . . 0.0 110.085 172.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.425 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 30.4 p -70.45 -23.86 62.79 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 118.516 0.598 . . . . 0.0 111.966 177.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.35 94.27 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 119.262 -0.975 . . . . 0.0 109.181 178.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 23.2 m -73.91 -52.32 13.3 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.175 2.19 . . . . 0.0 111.374 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -102.72 -14.71 16.56 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -163.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 C--O 1.252 1.191 0 CA-C-O 115.246 -2.311 . . . . 0.0 110.438 -159.075 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . 1.135 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ' ZN' . . . . . 1.146 'ZN ' ' SG ' ' B' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.376 0 N-CA-C 109.712 -1.355 . . . . 0.0 109.712 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.3 p -66.93 -47.77 70.69 Favored 'General case' 0 C--N 1.343 0.284 0 CA-C-N 118.942 1.371 . . . . 0.0 109.667 172.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 61.69 -38.71 0.12 Allowed 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 128.898 2.879 . . . . 0.0 112.616 -167.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.1 ttt -59.45 136.65 58.04 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 158.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.34 166.22 33.9 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 128.976 2.91 . . . . 0.0 105.422 158.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.9 mp0 -89.87 148.45 39.79 Favored Pre-proline 0 CA--C 1.538 0.481 0 C-N-CA 123.284 0.633 . . . . 0.0 110.442 -164.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -77.64 58.96 6.6 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 124.495 3.463 . . . . 0.0 109.578 177.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -150.58 -65.65 0.2 Allowed 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.057 0.943 . . . . 0.0 109.253 -173.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -57.31 92.07 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.98 1.712 . . . . 0.0 110.505 178.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -126.09 144.4 50.74 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 124.475 1.11 . . . . 0.0 109.694 -168.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -125.35 89.9 3.13 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.356 0.663 . . . . 0.0 109.97 -158.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.0 mt -83.79 104.56 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 106.412 -1.699 . . . . 0.0 106.412 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.8 tt -65.91 113.33 4.31 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 120.815 -1.178 . . . . 0.0 108.674 168.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.3 t -117.49 -175.94 2.92 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.999 1.72 . . . . 0.0 108.729 172.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.3 m -118.87 162.45 16.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 C-N-CA 123.882 0.873 . . . . 0.0 108.933 161.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 1.13 ' SG ' 'ZN ' ' A' ' 57' ' ' ' ZN' . 14.7 t -88.45 113.65 24.26 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 125.038 1.335 . . . . 0.0 109.29 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -78.31 6.24 8.73 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -171.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.67 -21.75 12.55 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 170.306 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.4 p -136.29 4.28 2.91 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -173.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.9 t0 46.11 41.91 9.1 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 127.885 2.474 . . . . 0.0 113.236 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.75 148.65 19.06 Favored Glycine 0 C--N 1.338 0.645 0 N-CA-C 109.082 -1.607 . . . . 0.0 109.082 171.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -64.53 131.32 46.73 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 169.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.1 mt -127.63 119.77 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 171.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -77.69 109.91 12.09 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 159.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.4 mt -87.95 94.38 9.76 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.096 0.958 . . . . 0.0 108.919 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.0 m -74.73 115.41 14.28 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 165.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.412 HG12 ' CE2' ' B' ' 47' ' ' PHE . 3.7 m -126.0 137.82 56.51 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 103.666 -2.716 . . . . 0.0 103.666 170.202 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -100.52 96.28 7.28 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 104.449 -2.426 . . . . 0.0 104.449 -168.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.1 m -153.0 132.69 13.1 Favored 'General case' 0 N--CA 1.444 -0.764 0 O-C-N 120.991 -1.068 . . . . 0.0 112.39 -158.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.5 m -59.58 142.88 51.8 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.531 0.732 . . . . 0.0 109.114 176.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.21 -35.69 60.17 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 -163.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -100.44 -15.89 17.77 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -174.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -68.65 -41.03 79.95 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 160.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.585 ' HA ' HD23 ' A' ' 37' ' ' LEU . 6.5 tt -61.81 -45.26 94.62 Favored 'General case' 0 C--N 1.345 0.37 0 C-N-CA 125.004 1.321 . . . . 0.0 110.439 172.256 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -56.68 -49.23 75.73 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.023 1.329 . . . . 0.0 108.768 175.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.4 m -56.81 -52.22 65.91 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 123.351 0.66 . . . . 0.0 109.887 177.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.585 HD23 ' HA ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -59.93 -31.61 70.01 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-O 121.183 0.516 . . . . 0.0 111.015 176.184 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -72.74 -25.68 61.29 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 120.18 -1.575 . . . . 0.0 111.058 175.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -71.48 -32.76 68.64 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 119.947 1.248 . . . . 0.0 109.664 170.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.7 mt -55.43 -50.02 70.91 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.308 0.504 . . . . 0.0 110.68 163.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -57.88 -42.91 85.57 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 118.361 0.528 . . . . 0.0 111.411 177.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 tt -61.03 -30.59 70.4 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.855 1.262 . . . . 0.0 112.024 174.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.3 t -70.79 -70.3 0.31 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.024 0.829 . . . . 0.0 110.413 175.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.9 p -145.0 -14.67 0.52 Allowed 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.443 HD11 ' OD2' ' B' ' 33' ' ' ASP . 5.8 mp -76.86 147.04 37.34 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 121.829 0.823 . . . . 0.0 112.857 -158.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.6 p -145.7 176.59 9.52 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 124.785 1.234 . . . . 0.0 109.229 172.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -117.91 156.06 29.11 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 -178.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.713 HG23 HG22 ' B' ' 26' ' ' THR . 1.9 m -126.73 102.5 9.68 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.305 0 C-N-CA 124.372 1.069 . . . . 0.0 108.287 173.492 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.5 p -48.31 149.24 2.79 Favored Pre-proline 0 CA--C 1.536 0.432 0 C-N-CA 127.749 2.42 . . . . 0.0 111.078 -175.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -57.38 -27.71 76.96 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.604 2.203 . . . . 0.0 114.241 -173.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -53.5 -60.72 2.94 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.435 1.094 . . . . 0.0 110.569 166.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.597 ' SG ' ' HB ' ' A' ' 48' ' ' VAL . 0.5 OUTLIER -76.86 -19.56 57.34 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.875 0.87 . . . . 0.0 111.685 -175.371 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.47 -50.81 72.07 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 168.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 20.4 m -71.43 -48.26 50.7 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.334 1.853 . . . . 0.0 111.63 -177.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.92 -35.2 78.04 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.14 0.576 . . . . 0.0 110.879 -179.011 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 . . . . . 0 C--O 1.251 1.156 0 C-N-CA 125.576 1.55 . . . . 0.0 111.836 -176.989 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.051 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 48.7 m -165.58 177.14 7.57 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 120.456 -1.614 . . . . 0.0 111.075 -173.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 69.88 -48.72 0.62 Allowed 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 128.829 2.852 . . . . 0.0 112.562 175.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 40.2 tpp -66.63 143.29 57.09 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 160.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.33 77.16 1.86 Allowed 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 165.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -65.95 142.74 98.18 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-O 119.522 -0.275 . . . . 0.0 111.718 -168.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -78.98 39.08 0.77 Allowed 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 124.44 3.427 . . . . 0.0 109.72 168.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -143.48 -70.65 0.31 Allowed 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 117.526 -1.226 . . . . 0.0 109.668 -167.645 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -53.7 90.38 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.862 1.664 . . . . 0.0 112.317 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 54.5 m170 -126.29 176.39 7.13 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 126.088 1.755 . . . . 0.0 110.739 -168.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.515 ' HG3' HG23 ' B' ' 26' ' ' THR . 0.0 OUTLIER -143.16 103.5 4.15 Favored 'General case' 0 C--N 1.34 0.187 0 C-N-CA 124.404 1.082 . . . . 0.0 110.041 -164.466 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 56.3 mt -90.09 101.93 12.74 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.286 0 N-CA-C 106.708 -1.589 . . . . 0.0 106.708 168.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 tt -68.4 118.36 11.37 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 120.532 -1.355 . . . . 0.0 108.972 172.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 14.9 t -124.46 -177.25 3.74 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 127.082 2.153 . . . . 0.0 108.183 174.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.3 m -114.85 160.9 13.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 159.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' CYS . . . . . 1.144 ' SG ' 'ZN ' ' B' ' 57' ' ' ' ZN' . 20.9 t -72.15 131.98 43.53 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 123.598 0.759 . . . . 0.0 109.235 170.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 9.2 t -55.18 -37.48 67.1 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.66 1.184 . . . . 0.0 112.217 -177.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -107.59 -16.81 14.26 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -173.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.0 m -101.67 -17.72 16.18 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 119.112 0.869 . . . . 0.0 112.104 178.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 25.3 t0 49.59 27.46 2.14 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.706 1.602 . . . . 0.0 111.978 -165.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.54 145.0 17.64 Favored Glycine 0 C--N 1.339 0.726 0 N-CA-C 109.384 -1.486 . . . . 0.0 109.384 -175.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -62.23 113.96 3.18 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 126.418 1.887 . . . . 0.0 109.074 -175.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 10.7 mt -117.28 114.44 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 171.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -75.98 92.32 3.13 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 166.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.6 mt -70.29 96.8 1.15 Allowed 'General case' 0 C--N 1.343 0.313 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 -174.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' THR . . . . . 0.713 HG22 HG23 ' A' ' 48' ' ' VAL 0.262 10.3 m -90.39 98.77 11.97 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 105.285 -2.117 . . . . 0.0 105.285 -169.912 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 19.8 m -121.97 118.43 55.53 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 C-N-CA 126.625 1.97 . . . . 0.0 105.687 -171.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.14 102.91 2.18 Favored 'General case' 0 C--O 1.231 0.106 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 169.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 71.1 m -160.39 135.59 7.93 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 124.349 1.06 . . . . 0.0 109.858 -160.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 21.1 m -71.45 143.76 49.97 Favored 'General case' 0 C--O 1.223 -0.323 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -177.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.66 -39.42 36.3 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 -164.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -98.36 -12.84 21.05 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -174.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ASP . . . . . 0.443 ' OD2' HD11 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -72.8 -36.9 67.68 Favored 'General case' 0 N--CA 1.442 -0.87 0 O-C-N 121.491 -0.755 . . . . 0.0 109.312 159.506 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.438 ' HA ' HD23 ' B' ' 37' ' ' LEU . 1.0 OUTLIER -64.03 -41.83 97.29 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 125.027 1.331 . . . . 0.0 109.309 172.514 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -57.55 -51.7 68.39 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 124.585 1.154 . . . . 0.0 108.121 170.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 66.8 m -58.49 -48.62 80.18 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.321 0.51 . . . . 0.0 110.548 -179.013 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.2 OUTLIER -68.78 -25.47 64.72 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.192 0.906 . . . . 0.0 111.502 178.889 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -67.02 -38.37 85.81 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.173 -0.954 . . . . 0.0 109.274 168.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -66.87 -30.25 70.37 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.652 173.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 48.8 mt -60.88 -49.1 78.81 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-N 119.696 1.134 . . . . 0.0 109.922 168.119 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -57.0 -41.09 77.82 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.587 1.085 . . . . 0.0 111.438 174.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 9.7 tt -65.01 -37.96 89.35 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.087 0.955 . . . . 0.0 111.884 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 8.8 t -73.66 -61.77 1.72 Allowed 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 126.922 2.089 . . . . 0.0 111.864 -178.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.65 -35.21 0.46 Allowed 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 125.116 1.366 . . . . 0.0 114.43 -158.258 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mp -91.36 160.89 15.25 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -160.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.5 p -140.82 175.68 9.42 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 125.449 1.499 . . . . 0.0 109.095 174.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' PHE . . . . . 0.412 ' CE2' HG12 ' A' ' 27' ' ' VAL . 5.0 t80 -129.78 148.11 51.62 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 121.158 -0.964 . . . . 0.0 109.503 177.369 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 2.3 t -141.89 107.76 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.131 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 -174.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 1.6 p -57.32 141.44 77.66 Favored Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 123.946 0.899 . . . . 0.0 109.928 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -62.74 -24.75 74.74 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 121.369 1.379 . . . . 0.0 113.465 -171.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -54.09 -66.69 0.35 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.986 1.314 . . . . 0.0 109.807 167.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.415 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 3.1 p -66.54 -22.34 66.16 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 117.741 0.246 . . . . 0.0 111.491 -178.215 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.48 87.34 Favored 'General case' 0 N--CA 1.438 -1.063 0 C-N-CA 121.074 -0.251 . . . . 0.0 110.955 177.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 22.5 m -89.49 -37.75 14.53 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.314 1.846 . . . . 0.0 111.18 -174.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.45 -40.27 96.06 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.482 0.583 . . . . 0.0 109.495 169.162 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 129.74 3.216 . . . . 0.0 111.644 175.68 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ' ZN' . . . . . 1.13 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ' ZN' . . . . . 1.144 'ZN ' ' SG ' ' B' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 . . . . . 0 N--CA 1.449 -0.512 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.52 90.77 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 125.789 1.636 . . . . 0.0 111.216 178.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.0 m170 -121.51 162.8 19.9 Favored 'General case' 0 C--O 1.227 -0.119 0 C-N-CA 124.602 1.161 . . . . 0.0 109.112 -175.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -136.68 94.18 2.96 Favored 'General case' 0 N--CA 1.453 -0.325 0 O-C-N 122.15 -0.344 . . . . 0.0 110.664 -158.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.8 mt -83.79 95.51 3.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 105.39 -2.078 . . . . 0.0 105.39 171.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.79 100.0 3.91 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 173.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.3 t -112.91 -167.71 1.22 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.641 1.576 . . . . 0.0 109.588 -173.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.3 m -127.45 155.79 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.276 1.03 . . . . 0.0 109.284 171.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.443 ' SG ' ' HA ' ' A' ' 48' ' ' VAL . 16.4 t -83.62 131.33 34.97 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 124.889 1.276 . . . . 0.0 109.666 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.9 t -70.1 -29.97 67.06 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -171.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.44 -19.92 20.8 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-N 119.13 0.877 . . . . 0.0 111.88 -173.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.9 p -130.32 -0.89 4.52 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -173.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.6 t0 50.29 25.97 2.05 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.848 2.059 . . . . 0.0 113.021 -177.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.03 146.59 24.14 Favored Glycine 0 C--N 1.34 0.798 0 N-CA-C 108.343 -1.903 . . . . 0.0 108.343 178.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.43 135.11 54.81 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 107.621 -1.252 . . . . 0.0 107.621 176.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.7 mt -126.53 123.49 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 172.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.5 104.99 4.66 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 160.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.9 mt -89.23 87.14 7.03 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 172.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 92.8 m -71.11 103.63 2.81 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 119.136 -1.026 . . . . 0.0 108.358 164.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.466 HG12 ' CE2' ' B' ' 47' ' ' PHE . 6.7 m -112.71 124.84 69.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 N-CA-C 104.074 -2.565 . . . . 0.0 104.074 175.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -91.87 84.48 5.38 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 103.518 -2.771 . . . . 0.0 103.518 -169.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.9 m -147.98 129.95 15.33 Favored 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 124.215 1.006 . . . . 0.0 110.488 -158.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.6 m -58.5 144.89 40.88 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-O 118.471 -0.776 . . . . 0.0 109.017 -175.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.48 -38.61 44.91 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -163.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -96.33 -15.02 22.13 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -175.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -71.28 -40.23 71.05 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 162.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.453 ' HA ' HD23 ' A' ' 37' ' ' LEU . 3.2 tt -58.95 -46.9 86.9 Favored 'General case' 0 C--O 1.223 -0.298 0 C-N-CA 124.638 1.175 . . . . 0.0 109.432 171.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -56.24 -51.95 66.25 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.818 1.247 . . . . 0.0 108.53 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 91.3 m -54.82 -53.95 48.58 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.838 1.255 . . . . 0.0 110.077 178.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -64.44 -28.41 69.65 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 121.677 -0.639 . . . . 0.0 111.072 179.446 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -73.07 -24.63 60.69 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 120.517 -1.364 . . . . 0.0 111.134 172.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -69.59 -36.49 76.28 Favored 'General case' 0 N--CA 1.454 -0.275 0 O-C-N 120.889 -1.132 . . . . 0.0 109.523 166.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.6 mt -62.19 -34.99 77.51 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 118.852 0.751 . . . . 0.0 111.106 171.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -60.37 -54.6 43.67 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 118.891 0.769 . . . . 0.0 109.93 169.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.0 mt -61.16 -27.3 68.3 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.735 0.814 . . . . 0.0 112.406 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.2 t -68.54 -68.34 0.4 Allowed 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 126.07 1.748 . . . . 0.0 110.072 170.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.2 p -147.38 -34.04 0.26 Allowed 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -170.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.2 tt -69.28 137.38 52.99 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 117.997 0.362 . . . . 0.0 111.377 -161.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.5 p -118.89 171.03 8.52 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.561 0.744 . . . . 0.0 109.051 159.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.426 ' CE2' HG12 ' B' ' 27' ' ' VAL . 9.5 t80 -113.38 153.28 28.81 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 173.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.443 ' HA ' ' SG ' ' A' ' 16' ' ' CYS 0.322 0.4 OUTLIER -135.37 107.35 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 N-CA-C 107.599 -1.259 . . . . 0.0 107.599 179.129 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 p -56.27 143.49 64.64 Favored Pre-proline 0 CA--C 1.535 0.394 0 C-N-CA 125.15 1.38 . . . . 0.0 110.672 -167.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -61.98 -26.73 78.92 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 121.615 1.543 . . . . 0.0 112.856 -172.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -56.94 -63.93 1.04 Allowed 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.735 0.814 . . . . 0.0 109.564 169.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.5 p -65.61 -31.32 72.29 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 118.875 -0.583 . . . . 0.0 110.798 -174.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.11 -37.38 83.8 Favored 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 123.604 0.565 . . . . 0.0 110.408 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 30.3 m -71.95 -41.35 67.89 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.108 0.963 . . . . 0.0 110.678 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 m120 . . . . . 0 N--CA 1.471 0.624 0 C-N-CA 122.924 0.489 . . . . 0.0 111.257 178.778 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo . . . . . 0 CA--C 1.535 0.525 0 CA-C-O 121.357 0.482 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -129.47 -52.51 1.17 Allowed 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 125.615 1.566 . . . . 0.0 110.092 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -62.25 93.47 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 120.331 1.423 . . . . 0.0 111.4 -172.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 42.9 m170 -126.87 175.58 7.93 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 125.296 1.438 . . . . 0.0 110.697 -166.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -143.81 98.27 3.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.233 1.013 . . . . 0.0 109.752 -160.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 55.6 mt -86.58 96.63 5.54 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.216 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 169.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 tt -66.06 108.28 2.18 Favored 'General case' 0 N--CA 1.448 -0.562 0 O-C-N 121.041 -1.037 . . . . 0.0 108.519 168.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.82 -166.81 1.33 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.874 1.269 . . . . 0.0 108.251 173.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 19.4 m -125.22 153.81 32.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 171.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 21.8 t -71.14 132.14 44.61 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 171.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 49.6 t -54.2 -29.92 47.92 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.105 0.962 . . . . 0.0 112.934 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . 0.42 ' HE2' ' HB3' ' B' ' 18' ' ' LYS . 10.2 ptpt -127.43 -22.35 3.68 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -166.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.2 m -82.16 -16.77 48.67 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.242 164.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 27.9 t0 45.6 44.95 10.59 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 125.657 1.583 . . . . 0.0 110.737 -170.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.88 150.12 18.98 Favored Glycine 0 C--N 1.338 0.666 0 C-N-CA 124.919 1.247 . . . . 0.0 110.323 -171.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.73 113.92 2.5 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 127.581 2.352 . . . . 0.0 109.451 -176.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 9.6 mt -112.04 119.19 59.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 167.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -85.96 86.99 7.34 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 124.871 1.268 . . . . 0.0 108.621 173.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 60.8 mt -70.52 96.71 1.21 Allowed 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 -170.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 5.7 m -84.65 91.46 7.93 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 -176.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.426 HG12 ' CE2' ' A' ' 47' ' ' PHE . 5.0 m -119.36 135.11 60.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 105.303 -2.11 . . . . 0.0 105.303 -173.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -114.11 94.17 4.69 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 107.316 -1.364 . . . . 0.0 107.316 -160.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -160.8 160.56 31.33 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 21.1 m -53.72 147.05 12.25 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.828 0.851 . . . . 0.0 109.977 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.27 -38.88 55.2 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 -166.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -83.45 -21.74 32.81 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -175.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -73.5 -41.24 63.35 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.494 1.118 . . . . 0.0 108.982 170.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' B' ' 37' ' ' LEU . 0.5 OUTLIER -55.93 -47.45 77.52 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.957 0.884 . . . . 0.0 109.969 168.431 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -62.94 -47.38 83.46 Favored 'General case' 0 CA--C 1.509 -0.625 0 C-N-CA 125.723 1.609 . . . . 0.0 108.83 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 85.8 m -54.65 -51.57 65.03 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 123.814 0.846 . . . . 0.0 109.273 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -62.34 -32.77 73.59 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.985 -0.447 . . . . 0.0 111.36 175.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -66.46 -29.93 70.16 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 120.596 -1.315 . . . . 0.0 110.761 173.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -69.82 -35.81 75.11 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 119.385 0.993 . . . . 0.0 109.421 174.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 24.6 mt -56.12 -46.63 79.08 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 118.519 0.599 . . . . 0.0 110.777 168.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -61.44 -45.55 93.83 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 122.162 -0.336 . . . . 0.0 111.125 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 35.3 mt -64.55 -26.7 68.53 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.666 0.787 . . . . 0.0 112.213 176.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 10.7 t -72.58 -61.67 1.72 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 119.06 0.846 . . . . 0.0 109.889 174.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 38.8 p -151.06 -28.57 0.2 Allowed 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 -167.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.72 149.86 34.51 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -159.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.36 168.79 16.38 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.162 1.385 . . . . 0.0 109.35 173.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . 0.466 ' CE2' HG12 ' A' ' 27' ' ' VAL . 10.3 t80 -122.25 151.84 40.65 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 172.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . 0.259 2.8 t -138.22 94.93 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.219 0 N-CA-C 105.183 -2.155 . . . . 0.0 105.183 -170.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 4.0 p -57.97 150.83 47.91 Favored Pre-proline 0 CA--C 1.536 0.438 0 C-N-CA 124.845 1.258 . . . . 0.0 110.685 -170.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.84 -24.73 73.5 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 121.737 1.625 . . . . 0.0 114.106 -170.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 20.1 t90 -57.62 -67.97 0.28 Allowed 'General case' 0 C--O 1.236 0.376 0 C-N-CA 125.423 1.489 . . . . 0.0 110.542 171.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 26.1 p -65.06 -29.77 70.68 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 118.628 0.649 . . . . 0.0 111.441 177.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.27 -37.46 87.35 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 119.606 -0.838 . . . . 0.0 111.062 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 36.0 m -72.81 -52.02 16.58 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.89 1.676 . . . . 0.0 110.618 175.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -75.28 -26.74 59.01 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.729 0.641 . . . . 0.0 112.729 -171.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 . . . . . 0 C--O 1.253 1.244 0 C-N-CA 127.645 2.378 . . . . 0.0 110.624 -167.669 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 . . . . . 0 N--CA 1.449 -0.498 0 CA-C-O 118.054 -0.974 . . . . 0.0 109.841 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -63.37 91.75 0.05 Allowed 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 120.453 1.479 . . . . 0.0 111.067 -171.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.1 m170 -127.1 161.58 28.11 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 123.339 0.656 . . . . 0.0 110.849 -166.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -137.39 97.12 3.39 Favored 'General case' 0 C--N 1.339 0.123 0 C-N-CA 125.261 1.424 . . . . 0.0 109.08 -165.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.6 mt -89.75 101.01 11.74 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.26 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 176.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 tt -67.6 118.74 11.3 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 120.511 -1.368 . . . . 0.0 109.257 173.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.8 t -124.03 -173.4 2.75 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 125.963 1.705 . . . . 0.0 108.294 169.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.7 m -123.4 155.26 29.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 169.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.2 t -67.59 125.8 27.32 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.8 t -58.34 -22.99 55.34 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -174.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.507 ' HE2' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -121.79 -20.92 6.26 Favored 'General case' 0 C--N 1.343 0.289 0 N-CA-C 115.224 1.565 . . . . 0.0 115.224 -173.094 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.8 p -114.71 -0.45 13.57 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.936 1.244 . . . . 0.0 113.064 173.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.5 t0 54.23 25.0 5.37 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.373 1.869 . . . . 0.0 113.162 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.77 150.38 36.07 Favored Glycine 0 C--N 1.339 0.715 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -65.39 110.37 2.62 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 124.881 1.272 . . . . 0.0 108.626 176.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.6 mt -118.58 106.0 18.76 Favored 'Isoleucine or valine' 0 C--N 1.341 0.206 0 CA-C-O 122.609 1.195 . . . . 0.0 108.5 174.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -76.21 89.5 3.1 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.151 1.38 . . . . 0.0 108.654 170.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.5 mt -69.03 91.88 0.5 Allowed 'General case' 0 C--O 1.234 0.269 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 -172.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.9 m -86.95 108.8 18.98 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 105.503 -2.036 . . . . 0.0 105.503 -174.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.8 m -125.61 123.12 63.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 104.336 -2.468 . . . . 0.0 104.336 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.461 ' HG3' HG22 ' B' ' 48' ' ' VAL . 4.7 mt-10 -83.97 94.19 8.22 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 105.14 -2.17 . . . . 0.0 105.14 174.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.58 154.11 33.64 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 122.806 0.443 . . . . 0.0 111.303 177.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.2 m -53.78 147.23 12.15 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.223 1.409 . . . . 0.0 110.35 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.1 -43.42 82.21 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.777 -0.577 . . . . 0.0 112.543 -170.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.45 -30.96 66.64 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -68.33 -48.89 63.68 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 125.345 1.458 . . . . 0.0 108.383 176.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.76 -41.25 73.73 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 126.949 2.099 . . . . 0.0 111.896 171.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -69.57 -46.75 65.65 Favored 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 127.09 2.156 . . . . 0.0 108.542 -177.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.0 m -55.08 -50.59 68.78 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 174.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.42 -42.99 61.87 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.097 1.359 . . . . 0.0 111.462 169.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -66.64 -31.19 71.71 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 120.532 -1.355 . . . . 0.0 110.653 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -69.66 -35.43 75.16 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 118.734 0.697 . . . . 0.0 109.779 173.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.3 mt -57.36 -44.26 84.2 Favored 'General case' 0 C--N 1.344 0.34 0 CA-C-O 118.724 -0.655 . . . . 0.0 109.543 169.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -63.73 -41.72 98.01 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 119.178 0.899 . . . . 0.0 111.609 177.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.7 mt -64.85 -24.44 67.54 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.388 0.675 . . . . 0.0 112.285 174.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.6 t -88.68 -65.28 1.03 Allowed 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 126.041 1.737 . . . . 0.0 112.37 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.11 -18.21 0.4 Allowed 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 116.426 2.009 . . . . 0.0 116.426 -158.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.59 145.53 24.36 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.387 1.075 . . . . 0.0 113.265 -171.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.3 p -137.17 173.27 11.87 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.923 1.689 . . . . 0.0 109.505 167.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -128.03 158.31 38.28 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 122.253 1.025 . . . . 0.0 109.835 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.507 HG11 ' HE2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -149.05 109.03 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.127 0 C-N-CA 126.247 1.819 . . . . 0.0 107.588 -167.675 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.9 p -61.22 159.87 26.74 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 123.8 0.84 . . . . 0.0 110.995 -177.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -60.42 -25.52 80.62 Favored 'Trans proline' 0 CA--C 1.536 0.624 0 C-N-CA 122.34 2.027 . . . . 0.0 113.292 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -60.39 -48.6 81.04 Favored 'General case' 0 C--N 1.342 0.241 0 O-C-N 121.933 -0.479 . . . . 0.0 110.162 170.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 80.1 m -72.58 -28.18 62.64 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 123.275 0.63 . . . . 0.0 112.471 176.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.58 -34.73 73.09 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.1 0.864 . . . . 0.0 110.85 168.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.2 m -85.72 -44.12 12.81 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.151 1.38 . . . . 0.0 112.058 -177.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 . . . . . 0 N--CA 1.473 0.691 0 C-N-CA 124.462 1.105 . . . . 0.0 113.33 -165.725 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo . . . . . 0 CA--C 1.541 0.853 0 CA-C-O 121.677 0.616 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -123.93 -73.75 0.63 Allowed 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 127.983 2.513 . . . . 0.0 107.458 -177.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.72 93.4 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 126.543 1.937 . . . . 0.0 111.134 -173.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 47.8 m170 -125.85 162.57 24.85 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 126.009 1.723 . . . . 0.0 109.123 -171.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.41 93.5 2.82 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.653 0.781 . . . . 0.0 108.954 -165.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 35.9 mt -81.76 101.88 7.06 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.266 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 176.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.8 tt -67.91 113.1 5.35 Favored 'General case' 0 N--CA 1.447 -0.603 0 O-C-N 120.971 -1.081 . . . . 0.0 108.772 172.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 44.0 m -122.91 -171.46 2.3 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.654 1.582 . . . . 0.0 109.1 172.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 31.4 m -113.76 160.67 13.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 160.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . 0.464 ' HG ' ' HG ' ' B' ' 52' ' ' CYS . 38.9 t -64.84 134.11 53.37 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 168.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 44.7 t -51.47 -37.06 46.99 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.117 1.767 . . . . 0.0 112.008 175.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.26 -25.13 3.28 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -169.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.9 m -85.89 -11.28 53.64 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 118.364 -0.827 . . . . 0.0 111.617 171.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 30.7 t0 41.47 48.78 3.45 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 127.231 2.212 . . . . 0.0 112.167 -178.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.63 154.22 20.32 Favored Glycine 0 C--N 1.336 0.571 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -60.47 121.0 11.02 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 126.502 1.921 . . . . 0.0 109.169 -173.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 22.8 mt -120.37 127.1 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 168.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -88.87 87.76 7.35 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 170.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 61.7 mt -68.8 97.8 0.86 Allowed 'General case' 0 C--O 1.235 0.318 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -169.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 31.5 m -86.49 100.83 12.65 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 -173.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 15.1 m -122.94 137.23 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 N-CA-C 106.094 -1.817 . . . . 0.0 106.094 178.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -89.12 107.13 18.88 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 106.035 -1.839 . . . . 0.0 106.035 174.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 64.1 m -157.86 132.05 8.17 Favored 'General case' 0 N--CA 1.443 -0.79 0 O-C-N 121.529 -0.732 . . . . 0.0 109.813 -163.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 69.1 m -62.5 149.18 43.58 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 173.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.2 -44.38 71.55 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.189 0.904 . . . . 0.0 113.027 -169.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -78.89 -20.98 48.11 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.737 0.815 . . . . 0.0 112.087 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -75.0 -42.11 58.15 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.948 1.299 . . . . 0.0 108.546 173.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.448 ' HA ' HD23 ' B' ' 37' ' ' LEU . 0.6 OUTLIER -61.18 -38.69 87.4 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 126.756 2.022 . . . . 0.0 110.972 171.327 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -66.12 -45.9 79.48 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 127.043 2.137 . . . . 0.0 108.86 175.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 60.6 m -57.8 -49.49 76.44 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 174.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -55.74 -37.45 68.49 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.562 1.145 . . . . 0.0 111.662 170.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -68.28 -30.25 69.22 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 120.156 -1.59 . . . . 0.0 109.826 177.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -71.49 -35.67 70.86 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 120.877 -1.14 . . . . 0.0 109.89 172.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 79.7 mt -61.39 -32.28 72.21 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 118.284 0.493 . . . . 0.0 110.857 169.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -64.71 -48.57 74.17 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 125.131 1.373 . . . . 0.0 110.413 173.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 53.3 mt -64.47 -29.16 70.21 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.241 1.017 . . . . 0.0 112.255 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.5 t -63.62 -77.75 0.05 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.581 1.952 . . . . 0.0 109.739 169.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 24.0 p -141.24 -26.39 0.71 Allowed 'General case' 0 C--O 1.236 0.391 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 176.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.93 100.23 0.11 Allowed 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 123.829 0.852 . . . . 0.0 113.108 -159.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 14.2 m -107.36 153.21 23.1 Favored 'General case' 0 N--CA 1.434 -1.248 0 N-CA-C 105.966 -1.864 . . . . 0.0 105.966 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -115.15 152.84 31.89 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 123.044 1.402 . . . . 0.0 111.24 -166.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.461 HG22 ' HG3' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -141.52 101.1 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 C-N-CA 127.619 2.367 . . . . 0.0 105.171 -157.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 p -62.07 161.35 24.11 Favored Pre-proline 0 CA--C 1.542 0.671 0 C-N-CA 122.782 0.433 . . . . 0.0 110.268 176.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.24 -23.78 31.38 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 122.208 1.939 . . . . 0.0 115.308 -177.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 14.6 t90 -61.3 -65.69 0.65 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.05 0.94 . . . . 0.0 110.903 172.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.464 ' HG ' ' HG ' ' B' ' 16' ' ' CYS . 0.7 OUTLIER -64.78 -20.93 66.64 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 118.447 0.567 . . . . 0.0 112.48 175.772 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.96 93.13 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 118.274 -1.37 . . . . 0.0 109.573 171.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 17.2 m -77.2 -20.81 54.84 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.554 1.541 . . . . 0.0 112.735 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -119.57 -11.7 9.41 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 120.613 1.552 . . . . 0.0 114.228 -171.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 . . . . . 0 C--O 1.247 0.934 0 C-N-CA 125.363 1.465 . . . . 0.0 109.853 -159.318 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 . . . . . 0 N--CA 1.451 -0.415 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.39 91.93 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.359 1.464 . . . . 0.0 110.807 178.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.0 m170 -124.44 159.01 31.45 Favored 'General case' 0 C--O 1.227 -0.106 0 C-N-CA 124.857 1.263 . . . . 0.0 109.266 -171.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -135.82 93.28 2.92 Favored 'General case' 0 N--CA 1.456 -0.148 0 O-C-N 122.153 -0.342 . . . . 0.0 110.779 -158.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.6 mt -83.71 97.18 4.6 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 174.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 tt -65.44 112.36 3.51 Favored 'General case' 0 N--CA 1.448 -0.559 0 O-C-N 120.328 -1.482 . . . . 0.0 108.577 171.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.5 t -129.88 -164.84 1.45 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.983 0.913 . . . . 0.0 110.461 177.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.7 m -122.13 154.55 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 123.915 0.886 . . . . 0.0 108.721 166.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.4 t -71.92 120.21 17.2 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 170.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 18.8 t -51.32 -36.06 40.94 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.935 0.894 . . . . 0.0 112.917 -176.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.499 ' HE2' ' HB2' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -107.69 -8.19 16.17 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -170.28 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 m -104.01 -20.98 13.68 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.968 0.907 . . . . 0.0 112.324 171.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.4 t0 42.6 48.03 4.61 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.124 1.77 . . . . 0.0 111.478 -159.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -117.59 146.97 18.78 Favored Glycine 0 C--N 1.34 0.777 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 176.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -64.32 126.44 27.78 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 126.136 1.774 . . . . 0.0 109.288 -174.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.6 mt -119.5 148.6 22.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 168.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -115.54 83.88 2.0 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 175.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.3 mt -70.01 94.7 0.89 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.153 -1.385 . . . . 0.0 109.385 -161.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.3 m -85.64 85.82 7.39 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -175.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.1 m -100.27 137.18 28.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -103.7 97.78 7.75 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 103.309 -2.849 . . . . 0.0 103.309 -167.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.8 m -156.66 132.76 9.76 Favored 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 120.525 -1.36 . . . . 0.0 111.241 -158.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.4 m -59.47 144.57 46.74 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 177.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.92 -40.24 66.55 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 -166.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -81.64 -21.89 37.91 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.841 0.829 . . . . 0.0 112.115 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -80.3 -39.89 27.88 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.741 1.616 . . . . 0.0 108.622 176.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.495 ' HA ' HD23 ' A' ' 37' ' ' LEU . 2.9 tt -56.11 -46.21 79.2 Favored 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 126.548 1.939 . . . . 0.0 110.076 164.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -62.64 -44.15 97.0 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 124.457 1.103 . . . . 0.0 109.7 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.5 m -57.08 -49.79 74.76 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 175.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.495 HD23 ' HA ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -66.69 -25.35 66.51 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.254 -0.904 . . . . 0.0 112.371 176.097 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.404 ' HA ' ' HB2' ' A' ' 41' ' ' PHE . 6.5 tt0 -68.32 -31.8 71.47 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 120.275 -1.515 . . . . 0.0 109.875 170.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -70.32 -33.51 71.6 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.022 -1.049 . . . . 0.0 109.695 170.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.426 ' HA ' ' HB3' ' A' ' 43' ' ' SER . 77.4 mt -64.42 -28.96 70.04 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 118.882 0.765 . . . . 0.0 112.231 169.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.404 ' HB2' ' HA ' ' A' ' 38' ' ' GLN . 0.2 OUTLIER -61.93 -49.34 76.53 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.436 1.494 . . . . 0.0 109.644 169.571 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.6 mt -69.24 -23.36 63.86 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.126 0.97 . . . . 0.0 112.909 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.426 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . 7.0 t -67.89 -82.73 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.746 2.018 . . . . 0.0 109.188 170.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.5 p -139.79 -11.12 1.16 Allowed 'General case' 0 C--N 1.344 0.337 0 N-CA-C 115.454 1.65 . . . . 0.0 115.454 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.0 tt -76.82 108.3 9.75 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -166.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.65 176.39 6.89 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 158.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.03 148.12 50.53 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 121.194 -0.941 . . . . 0.0 109.735 178.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.538 HG13 ' SG ' ' A' ' 52' ' ' CYS . 6.3 t -142.59 96.71 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 C-N-CA 126.641 1.976 . . . . 0.0 106.796 -168.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.9 p -53.63 148.64 17.97 Favored Pre-proline 0 CA--C 1.542 0.64 0 C-N-CA 126.052 1.741 . . . . 0.0 111.894 -174.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -61.68 -25.51 79.03 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 121.992 1.795 . . . . 0.0 113.956 -174.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 34.7 t90 -56.78 -53.74 54.36 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.147 0.979 . . . . 0.0 110.735 169.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.538 ' SG ' HG13 ' A' ' 48' ' ' VAL . 9.6 p -80.12 -18.47 49.74 Favored 'General case' 0 CA--C 1.513 -0.448 0 O-C-N 121.63 -0.669 . . . . 0.0 112.281 178.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.38 -38.59 87.58 Favored 'General case' 0 N--CA 1.435 -1.219 0 C-N-CA 118.835 -1.146 . . . . 0.0 109.585 169.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 19.4 m -73.01 -53.53 10.93 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.348 1.859 . . . . 0.0 111.061 175.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 -168.556 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo . . . . . 0 CA--C 1.539 0.73 0 N-CA-C 112.115 0.006 . . . . 0.0 112.115 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 16.8 mp0 -128.1 -63.42 1.01 Allowed 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.694 1.198 . . . . 0.0 109.809 177.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -57.41 90.8 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.868 1.267 . . . . 0.0 111.864 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 60.7 m170 -126.32 168.64 13.86 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 125.54 1.536 . . . . 0.0 110.402 -167.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.09 101.92 4.27 Favored 'General case' 0 C--N 1.338 0.103 0 C-N-CA 124.052 0.941 . . . . 0.0 109.666 -165.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 52.7 mt -89.65 101.1 11.79 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 172.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 tt -68.03 120.72 14.72 Favored 'General case' 0 N--CA 1.447 -0.619 0 O-C-N 120.373 -1.454 . . . . 0.0 108.891 173.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 4.2 t -130.1 -173.21 2.98 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 126.507 1.923 . . . . 0.0 108.942 174.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.7 m -127.17 156.77 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 123.911 0.884 . . . . 0.0 109.062 169.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 11.4 t -73.74 130.82 40.76 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 123.138 0.575 . . . . 0.0 110.45 -178.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 5.8 t -60.98 -35.64 77.34 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -174.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . 0.423 ' HB2' ' HE2' ' B' ' 18' ' ' LYS . 0.0 OUTLIER -105.85 -11.65 16.15 Favored 'General case' 0 C--N 1.342 0.247 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -167.729 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.0 p -139.17 2.89 2.13 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 18.7 t0 55.91 21.37 4.84 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.721 2.008 . . . . 0.0 114.139 177.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.15 148.04 40.38 Favored Glycine 0 C--N 1.339 0.743 0 N-CA-C 109.939 -1.264 . . . . 0.0 109.939 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -67.48 119.03 11.62 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 125.047 1.339 . . . . 0.0 108.583 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 2.4 mt -125.3 114.17 38.66 Favored 'Isoleucine or valine' 0 C--N 1.342 0.257 0 CA-C-O 121.774 0.797 . . . . 0.0 109.403 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -81.67 87.32 6.3 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 170.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 50.0 mt -68.12 98.19 0.77 Allowed 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -169.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 49.3 m -90.95 104.88 17.41 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 -172.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 9.0 m -121.32 140.54 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 105.15 -2.167 . . . . 0.0 105.15 -176.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -110.76 79.63 1.22 Allowed 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 -166.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -151.63 155.2 37.89 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-O 121.406 0.622 . . . . 0.0 111.915 -174.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.2 m -49.91 142.11 9.52 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 127.01 2.124 . . . . 0.0 110.249 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.38 -38.71 63.61 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -168.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -81.58 -25.17 36.0 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -178.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -71.74 -42.95 66.63 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.809 1.243 . . . . 0.0 108.766 172.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' B' ' 37' ' ' LEU . 0.7 OUTLIER -55.84 -46.57 78.13 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.203 1.401 . . . . 0.0 110.451 168.49 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -62.77 -47.91 81.48 Favored 'General case' 0 CA--C 1.51 -0.559 0 C-N-CA 125.395 1.478 . . . . 0.0 108.302 -177.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 41.0 m -55.74 -47.78 76.36 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -65.6 -31.13 71.99 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.826 -0.546 . . . . 0.0 112.39 175.643 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -65.65 -34.25 77.78 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 120.848 -1.158 . . . . 0.0 109.18 172.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -69.18 -32.68 72.14 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 119.425 1.011 . . . . 0.0 110.224 174.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 52.5 mt -59.68 -46.14 89.96 Favored 'General case' 0 C--N 1.343 0.324 0 CA-C-N 119.082 0.855 . . . . 0.0 110.455 168.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -60.18 -43.63 95.72 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.168 0.895 . . . . 0.0 111.646 174.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.71 -37.62 82.31 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.846 1.258 . . . . 0.0 111.208 176.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 9.2 t -70.83 -63.31 1.12 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 126.191 1.797 . . . . 0.0 111.827 176.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.99 -35.74 0.32 Allowed 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 115.151 1.538 . . . . 0.0 115.151 -158.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.11 158.01 21.53 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 -159.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.3 p -142.19 176.81 8.69 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.03 1.732 . . . . 0.0 109.795 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -137.32 155.32 49.58 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 120.456 -1.403 . . . . 0.0 108.693 176.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . 0.272 1.8 t -137.47 100.23 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 C-N-CA 125.702 1.601 . . . . 0.0 106.872 -174.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 p -57.47 146.24 64.88 Favored Pre-proline 0 N--CA 1.47 0.543 0 C-N-CA 124.674 1.19 . . . . 0.0 110.723 -169.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -57.88 -30.3 89.13 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 121.915 1.743 . . . . 0.0 113.825 -172.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 19.0 t90 -56.24 -63.0 1.33 Allowed 'General case' 0 C--O 1.235 0.301 0 C-N-CA 124.513 1.125 . . . . 0.0 110.268 171.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 1.3 p -69.14 -28.21 66.23 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-O 119.59 -0.243 . . . . 0.0 110.539 -177.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.69 -37.76 88.55 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 117.996 0.362 . . . . 0.0 110.489 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 30.4 m -74.74 -49.58 20.51 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.012 1.725 . . . . 0.0 110.682 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -71.43 -25.69 62.42 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.111 0.564 . . . . 0.0 112.257 -176.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 . . . . . 0 C--O 1.252 1.188 0 C-N-CA 127.631 2.372 . . . . 0.0 111.002 -173.106 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 . . . . . 0 CA--C 1.532 0.278 0 CA-C-O 117.676 -1.154 . . . . 0.0 111.518 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.9 89.94 0.06 Allowed 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 120.752 1.614 . . . . 0.0 111.129 -173.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -123.99 164.88 18.44 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 123.781 0.832 . . . . 0.0 110.618 -166.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.1 100.74 4.23 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 124.502 1.121 . . . . 0.0 109.204 -164.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.2 mt -85.59 95.8 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 171.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.8 tt -63.64 115.72 5.0 Favored 'General case' 0 N--CA 1.445 -0.675 0 O-C-N 121.015 -1.053 . . . . 0.0 108.225 169.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.0 t -124.25 -169.69 2.01 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 124.505 1.122 . . . . 0.0 109.09 171.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.8 m -119.46 161.19 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 164.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.2 t -67.12 127.96 34.57 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 173.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.2 t -48.65 -35.82 14.59 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.538 1.935 . . . . 0.0 112.394 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.66 -7.45 10.08 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -172.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -115.62 -12.63 11.56 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.32 1.048 . . . . 0.0 113.566 177.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.9 t0 54.72 20.8 3.15 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.968 1.707 . . . . 0.0 113.248 -173.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.41 147.28 20.62 Favored Glycine 0 C--N 1.341 0.851 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 -178.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -64.75 122.4 16.8 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 125.093 1.357 . . . . 0.0 109.095 -175.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.5 mt -128.26 130.49 69.45 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.174 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 173.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -97.54 85.61 3.65 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 123.974 0.91 . . . . 0.0 108.743 175.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.5 mt -71.34 100.12 2.09 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.044 -166.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.1 m -90.97 113.21 25.39 Favored 'General case' 0 N--CA 1.436 -1.151 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 -172.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.4 m -121.68 121.66 64.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 N-CA-C 103.513 -2.773 . . . . 0.0 103.513 178.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.457 ' HG3' ' CG2' ' B' ' 48' ' ' VAL . 7.0 mt-10 -81.37 100.75 9.41 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 104.684 -2.339 . . . . 0.0 104.684 170.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -158.16 155.57 29.33 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 122.804 0.442 . . . . 0.0 109.834 173.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.5 m -54.84 145.67 19.24 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.984 0.914 . . . . 0.0 110.142 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.51 -39.33 64.53 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -168.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -92.67 -15.36 26.85 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -173.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -63.5 -46.15 87.43 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 159.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.65 -36.06 79.73 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.816 1.647 . . . . 0.0 112.416 174.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -72.06 -44.38 63.42 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 127.276 2.23 . . . . 0.0 109.78 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.7 m -56.28 -47.13 79.21 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 172.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.7 -37.94 74.36 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.324 1.45 . . . . 0.0 112.371 170.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -62.94 -34.36 77.31 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 119.943 -1.723 . . . . 0.0 110.609 173.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -69.7 -32.3 70.82 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 121.646 -0.659 . . . . 0.0 109.746 173.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.8 mt -64.88 -31.2 72.32 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 118.639 0.654 . . . . 0.0 112.612 169.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -64.73 -49.4 70.98 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.952 1.251 . . . . 0.0 110.175 167.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.9 mt -62.48 -26.13 68.37 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.067 0.547 . . . . 0.0 112.373 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.8 t -67.19 -81.78 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.939 2.496 . . . . 0.0 109.882 167.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.7 p -138.74 -19.81 1.03 Allowed 'General case' 0 C--N 1.346 0.434 0 N-CA-C 116.228 1.936 . . . . 0.0 116.228 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 tt -71.23 144.37 50.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 122.35 1.071 . . . . 0.0 113.464 -161.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.9 m -152.69 166.46 32.09 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 124.734 1.213 . . . . 0.0 107.827 158.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -109.8 160.38 16.39 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.981 0.896 . . . . 0.0 109.594 -167.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.494 ' CG2' ' HG3' ' B' ' 28' ' ' GLU . 2.3 t -138.89 90.76 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 N-CA-C 103.496 -2.779 . . . . 0.0 103.496 -158.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.9 p -53.59 149.9 14.39 Favored Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 115.078 -0.964 . . . . 0.0 109.293 -176.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -55.91 -30.41 77.27 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 121.817 1.678 . . . . 0.0 113.569 -173.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -55.63 -61.23 2.49 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.954 0.902 . . . . 0.0 110.965 168.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.459 ' SG ' ' CG1' ' A' ' 48' ' ' VAL . 0.5 OUTLIER -67.08 -30.25 70.24 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-O 118.988 -0.53 . . . . 0.0 111.692 -177.751 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.66 -36.6 84.79 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 118.313 0.506 . . . . 0.0 110.455 175.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.3 m -76.85 -45.03 29.92 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.152 0.981 . . . . 0.0 111.418 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.473 0.721 0 C-N-CA 123.699 0.8 . . . . 0.0 112.0 -174.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo . . . . . 0 CA--C 1.537 0.636 0 CA-C-O 121.508 0.545 . . . . 0.0 111.941 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -128.23 -52.26 1.3 Allowed 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 126.043 1.737 . . . . 0.0 109.21 172.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.47 91.88 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.561 1.145 . . . . 0.0 110.779 -178.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 50.7 m170 -126.8 166.95 16.48 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 123.805 0.842 . . . . 0.0 111.256 -168.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.36 105.7 5.52 Favored 'General case' 0 C--N 1.341 0.23 0 C-N-CA 124.967 1.307 . . . . 0.0 109.363 -170.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 72.8 mt -89.43 97.09 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 170.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 tt -64.13 114.84 4.44 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 120.971 -1.081 . . . . 0.0 108.4 168.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 2.8 t -123.03 -169.54 1.95 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.693 1.197 . . . . 0.0 109.134 170.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.3 m -118.24 162.51 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 164.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 27.1 t -66.34 127.76 33.49 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 170.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 43.5 t -47.98 -36.8 13.27 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.607 1.963 . . . . 0.0 112.345 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.59 -9.06 9.87 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -172.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -113.62 -11.15 13.04 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.905 0.882 . . . . 0.0 113.033 178.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 t0 53.81 21.55 2.79 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.165 1.786 . . . . 0.0 113.285 -174.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.34 146.91 19.25 Favored Glycine 0 C--N 1.34 0.794 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -177.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -65.12 121.64 15.2 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 125.34 1.456 . . . . 0.0 109.304 -175.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 8.5 mt -127.12 126.1 67.48 Favored 'Isoleucine or valine' 0 C--N 1.34 0.174 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 174.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -93.75 85.91 4.97 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 124.059 0.944 . . . . 0.0 108.824 175.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.3 mt -71.17 98.23 1.66 Allowed 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.063 -167.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 24.0 m -86.14 112.24 21.12 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 -175.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 m -122.76 120.16 60.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 103.301 -2.852 . . . . 0.0 103.301 178.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.494 ' HG3' ' CG2' ' A' ' 48' ' ' VAL . 5.9 mt-10 -83.65 99.37 10.16 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 104.526 -2.398 . . . . 0.0 104.526 172.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -157.69 155.53 30.14 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 123.038 0.535 . . . . 0.0 109.737 174.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.0 m -55.88 147.19 19.89 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.108 0.963 . . . . 0.0 110.133 -178.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.29 -40.83 65.02 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -168.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -92.41 -14.9 27.92 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -173.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -63.86 -45.89 87.46 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 160.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.25 -38.65 84.13 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.615 1.566 . . . . 0.0 111.919 174.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -70.84 -44.56 66.2 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 127.463 2.305 . . . . 0.0 109.734 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 29.5 m -57.0 -46.7 82.1 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 173.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.11 -37.87 75.39 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.327 1.451 . . . . 0.0 112.296 171.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -62.86 -34.98 78.49 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 120.101 -1.625 . . . . 0.0 110.137 173.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -70.26 -31.16 68.41 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.589 -0.694 . . . . 0.0 110.019 173.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 73.3 mt -65.95 -30.4 70.96 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 118.847 0.748 . . . . 0.0 112.398 170.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -64.26 -49.41 71.98 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.96 1.255 . . . . 0.0 109.914 167.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 70.8 mt -63.26 -27.15 69.15 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 5.2 t -64.31 -78.77 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 127.673 2.389 . . . . 0.0 109.678 167.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 40.4 p -143.22 -22.6 0.62 Allowed 'General case' 0 C--N 1.343 0.298 0 N-CA-C 115.931 1.826 . . . . 0.0 115.931 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 tt -69.81 145.13 52.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 122.24 1.019 . . . . 0.0 113.197 -161.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.8 m -152.23 164.91 36.41 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 158.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -105.54 160.7 14.96 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 122.177 0.989 . . . . 0.0 109.585 -168.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.457 ' CG2' ' HG3' ' A' ' 28' ' ' GLU . 2.6 t -138.83 90.82 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 N-CA-C 103.238 -2.875 . . . . 0.0 103.238 -158.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 p -53.08 148.29 14.95 Favored Pre-proline 0 CA--C 1.533 0.327 0 CA-C-N 114.957 -1.02 . . . . 0.0 108.962 -176.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -55.66 -28.84 67.91 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 122.239 1.959 . . . . 0.0 113.905 -170.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 21.4 t90 -54.41 -65.57 0.55 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.373 1.469 . . . . 0.0 110.711 166.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.448 ' SG ' ' CG1' ' B' ' 48' ' ' VAL . 0.5 OUTLIER -67.91 -26.74 66.13 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-N 118.801 0.728 . . . . 0.0 112.302 -178.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.37 -49.06 79.27 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 121.201 -0.937 . . . . 0.0 109.207 174.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 19.9 m -70.84 -51.42 26.68 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.729 1.612 . . . . 0.0 111.382 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -88.78 -12.19 42.79 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.07 0.948 . . . . 0.0 112.948 -167.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.766 2.026 . . . . 0.0 110.097 -167.123 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.3 mp0 . . . . . 0 N--CA 1.45 -0.463 0 CA-C-O 117.762 -1.113 . . . . 0.0 110.009 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.51 93.47 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 120.524 1.511 . . . . 0.0 110.496 -175.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 44.0 m170 -127.1 166.37 17.77 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 118.53 0.605 . . . . 0.0 110.325 -169.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.1 mtpt -141.95 94.67 2.7 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.165 0.986 . . . . 0.0 109.304 -161.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.4 mt -83.74 94.4 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 172.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt -65.19 109.25 2.14 Favored 'General case' 0 N--CA 1.446 -0.636 0 O-C-N 120.652 -1.28 . . . . 0.0 108.546 166.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.7 t -117.42 -171.82 2.11 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.165 0.986 . . . . 0.0 109.235 171.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.8 m -120.81 155.01 24.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 124.157 0.983 . . . . 0.0 108.989 172.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.456 ' SG ' ' HA ' ' A' ' 48' ' ' VAL . 26.1 t -73.04 131.77 42.54 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.143 -177.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.5 t -61.44 -34.53 75.58 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.413 0.685 . . . . 0.0 112.09 -173.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.15 -17.0 15.07 Favored 'General case' 0 C--N 1.346 0.424 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -173.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.3 p -134.75 3.61 3.26 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -175.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.5 t0 57.06 15.07 2.21 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.892 2.077 . . . . 0.0 114.096 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.08 147.66 39.89 Favored Glycine 0 C--N 1.339 0.723 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 -177.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -63.23 116.28 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 125.369 1.467 . . . . 0.0 109.243 178.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.4 mt -118.81 112.32 37.4 Favored 'Isoleucine or valine' 0 C--N 1.341 0.208 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 175.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -84.45 85.1 7.44 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.859 1.263 . . . . 0.0 109.185 174.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.3 mt -73.07 94.65 1.93 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.445 -0.798 . . . . 0.0 108.892 -171.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.1 m -80.86 109.29 15.28 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 177.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.5 m -124.41 117.86 51.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 N-CA-C 103.951 -2.611 . . . . 0.0 103.951 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.56 ' HG3' ' CG2' ' B' ' 48' ' ' VAL . 5.5 mt-10 -86.2 102.97 14.39 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 178.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.566 ' HB2' HD12 ' B' ' 45' ' ' LEU . 1.5 t -163.82 157.5 18.95 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 123.851 0.86 . . . . 0.0 110.083 174.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.1 m -52.35 143.76 14.37 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.814 1.246 . . . . 0.0 110.542 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.44 -41.05 68.95 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -170.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -71.67 -32.47 67.92 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.855 0.862 . . . . 0.0 112.688 -178.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -67.89 -46.81 70.6 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.533 1.133 . . . . 0.0 108.673 174.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.79 -40.41 72.66 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 125.305 1.442 . . . . 0.0 111.88 172.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -73.49 -43.45 60.09 Favored 'General case' 0 CA--C 1.506 -0.717 0 C-N-CA 126.847 2.059 . . . . 0.0 109.351 -176.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 46.0 m -53.91 -51.86 62.38 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 170.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.56 -39.3 64.65 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.13 1.372 . . . . 0.0 111.936 170.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -67.76 -28.84 67.96 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 120.148 -1.595 . . . . 0.0 111.213 176.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -70.58 -35.61 73.14 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 119.064 0.847 . . . . 0.0 109.487 172.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.96 -37.71 83.35 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.572 0.624 . . . . 0.0 110.881 171.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -60.5 -53.5 56.81 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 118.698 0.681 . . . . 0.0 110.216 170.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.6 mt -62.55 -25.95 68.32 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.558 0.743 . . . . 0.0 112.282 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.5 t -72.82 -69.71 0.4 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 126.641 1.976 . . . . 0.0 110.236 173.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.8 p -145.22 -29.97 0.43 Allowed 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 114.511 1.301 . . . . 0.0 114.511 -172.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.6 tt -70.52 149.22 47.39 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 122.815 1.293 . . . . 0.0 111.54 -163.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 62.9 m -142.8 171.08 14.54 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 159.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -111.06 157.14 20.31 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 178.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.456 ' HA ' ' SG ' ' A' ' 16' ' ' CYS 0.332 0.4 OUTLIER -135.2 106.8 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.966 0 N-CA-C 107.316 -1.365 . . . . 0.0 107.316 177.947 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 p -57.38 146.51 62.89 Favored Pre-proline 0 C--N 1.344 0.339 0 C-N-CA 125.843 1.657 . . . . 0.0 110.691 -165.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -60.98 -29.71 88.49 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.121 1.88 . . . . 0.0 112.743 -172.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -54.05 -67.09 0.29 Allowed 'General case' 0 C--O 1.235 0.292 0 C-N-CA 124.534 1.134 . . . . 0.0 109.546 169.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.9 p -66.53 -29.78 69.95 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 118.888 -0.577 . . . . 0.0 110.732 -175.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.97 -33.21 74.21 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 118.585 0.63 . . . . 0.0 110.444 -179.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.4 m -77.43 -43.06 33.78 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.921 1.289 . . . . 0.0 111.002 175.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 m120 . . . . . 0 N--CA 1.476 0.856 0 CA-C-N 118.668 0.667 . . . . 0.0 111.461 177.874 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo . . . . . 0 CA--C 1.542 0.924 0 N-CA-C 110.342 -0.676 . . . . 0.0 110.342 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -127.91 -62.76 1.05 Allowed 'General case' 0 C--N 1.344 0.355 0 CA-C-O 117.195 -1.384 . . . . 0.0 110.303 -178.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.96 96.32 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.646 1.566 . . . . 0.0 112.043 176.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 43.3 m170 -128.33 170.21 13.34 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.39 1.076 . . . . 0.0 110.237 -173.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -137.52 97.12 3.38 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 124.836 1.255 . . . . 0.0 108.785 -166.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 50.1 mt -83.68 98.51 5.48 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.197 0 N-CA-C 105.858 -1.904 . . . . 0.0 105.858 170.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.13 109.78 1.95 Allowed 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 166.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 6.2 t -114.45 -171.59 1.95 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.297 1.439 . . . . 0.0 108.162 170.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 21.5 m -122.09 158.35 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 166.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 22.0 t -68.69 125.98 28.27 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 174.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 31.8 t -46.79 -38.0 9.46 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.372 1.869 . . . . 0.0 112.484 178.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.16 -8.06 10.21 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 -170.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . 0.425 ' SG ' ' HB3' ' B' ' 52' ' ' CYS . 0.9 OUTLIER -112.41 -13.21 13.43 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.454 1.102 . . . . 0.0 113.117 175.602 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 23.0 t0 50.15 27.83 2.76 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.796 2.038 . . . . 0.0 113.1 -172.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.34 147.97 18.82 Favored Glycine 0 C--N 1.34 0.776 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -62.54 120.16 10.6 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 125.944 1.698 . . . . 0.0 109.312 -176.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 8.1 mt -122.33 118.72 56.23 Favored 'Isoleucine or valine' 0 C--N 1.341 0.197 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 172.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -82.82 88.61 6.77 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 124.789 1.236 . . . . 0.0 109.021 171.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.9 mt -72.61 99.72 2.61 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -174.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 11.5 m -82.48 97.76 8.57 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 2.5 m -116.58 130.05 72.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 N-CA-C 103.847 -2.649 . . . . 0.0 103.847 -177.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -105.9 102.13 11.59 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 -171.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.7 t -166.45 160.78 15.8 Favored 'General case' 0 C--N 1.341 0.211 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 177.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 16.6 m -52.33 143.66 14.49 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.321 1.049 . . . . 0.0 110.428 176.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.14 -42.15 69.23 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -169.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.75 -30.58 68.2 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -178.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -71.0 -46.53 62.1 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.465 1.106 . . . . 0.0 108.56 176.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.2 -36.54 66.05 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 126.312 1.845 . . . . 0.0 112.192 170.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -80.2 -39.9 28.24 Favored 'General case' 0 CA--C 1.508 -0.66 0 C-N-CA 127.285 2.234 . . . . 0.0 109.985 -175.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 49.2 m -55.25 -51.41 66.71 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 168.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tp -54.75 -35.62 63.94 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.442 1.497 . . . . 0.0 112.153 169.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -68.2 -31.35 70.8 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 119.892 -1.755 . . . . 0.0 111.298 174.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -69.82 -35.25 74.63 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 119.026 0.83 . . . . 0.0 109.235 173.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 42.7 mt -60.77 -38.33 84.9 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 118.848 -0.596 . . . . 0.0 110.787 169.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -62.94 -46.31 88.36 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.096 0.862 . . . . 0.0 110.72 173.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 68.8 mt -66.08 -23.96 66.62 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.334 0.654 . . . . 0.0 112.23 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 28.9 t -76.81 -71.55 0.39 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.14 1.776 . . . . 0.0 110.687 174.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 42.0 p -147.44 -32.28 0.29 Allowed 'General case' 0 C--O 1.235 0.319 0 C-N-CA 125.01 1.324 . . . . 0.0 113.607 -174.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.566 HD12 ' HB2' ' A' ' 29' ' ' SER . 28.7 tp -57.56 131.99 51.85 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.63 0.772 . . . . 0.0 109.6 -168.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.8 m -138.53 154.21 48.76 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 176.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -114.6 156.08 25.35 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.789 0.804 . . . . 0.0 109.346 -172.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.56 ' CG2' ' HG3' ' A' ' 28' ' ' GLU . 2.1 t -141.19 90.01 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 N-CA-C 102.793 -3.04 . . . . 0.0 102.793 -158.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 1.1 p -51.43 147.16 10.99 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 114.791 -1.095 . . . . 0.0 108.795 -175.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -56.76 -28.03 74.21 Favored 'Trans proline' 0 C--N 1.351 0.659 0 CA-C-N 120.74 1.3 . . . . 0.0 112.92 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -55.93 -59.61 4.65 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.379 1.072 . . . . 0.0 111.57 167.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.442 ' SG ' ' CG1' ' B' ' 48' ' ' VAL . 0.8 OUTLIER -66.59 -32.59 74.02 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 118.567 0.621 . . . . 0.0 111.434 -178.589 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.57 -40.8 98.03 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 117.653 0.206 . . . . 0.0 110.536 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 26.4 m -77.95 -52.09 9.36 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.109 1.364 . . . . 0.0 111.267 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.06 -49.05 25.82 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.62 0.768 . . . . 0.0 110.557 -174.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.254 1.329 0 C-N-CA 127.685 2.394 . . . . 0.0 111.751 -172.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 . . . . . 0 N--CA 1.448 -0.575 0 N-CA-C 107.192 -1.411 . . . . 0.0 107.192 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.47 96.8 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 125.853 1.661 . . . . 0.0 110.259 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 45.5 m170 -123.14 156.45 35.0 Favored 'General case' 0 CA--C 1.523 -0.081 0 C-N-CA 123.987 0.915 . . . . 0.0 109.974 -174.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -131.21 88.93 2.65 Favored 'General case' 0 N--CA 1.457 -0.097 0 C-N-CA 124.458 1.103 . . . . 0.0 108.648 -163.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.0 mt -83.54 100.23 6.88 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 176.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tt -68.26 114.77 7.01 Favored 'General case' 0 N--CA 1.447 -0.604 0 O-C-N 120.779 -1.201 . . . . 0.0 108.844 174.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.4 t -131.04 -166.56 1.72 Allowed 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.868 1.667 . . . . 0.0 108.584 175.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.4 m -121.24 154.81 25.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 167.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.429 ' HG ' ' HG ' ' A' ' 52' ' ' CYS . 19.3 t -69.97 126.81 30.8 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 171.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.1 t -51.62 -31.57 25.72 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.611 1.164 . . . . 0.0 113.025 -178.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.412 ' HE2' ' OE2' ' B' ' 28' ' ' GLU . 1.2 ptpm? -125.97 -2.74 7.1 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 125.119 1.368 . . . . 0.0 113.991 -162.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 m -108.68 -17.74 13.88 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.372 1.069 . . . . 0.0 112.061 165.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.0 t0 38.94 57.92 1.84 Allowed 'General case' 0 C--N 1.344 0.344 0 C-N-CA 126.114 1.766 . . . . 0.0 111.474 -160.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.3 149.71 19.29 Favored Glycine 0 C--N 1.338 0.658 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -61.81 115.57 4.11 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 127.062 2.145 . . . . 0.0 109.374 -173.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.4 mt -112.43 118.21 57.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 167.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -78.02 86.75 4.19 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 162.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.6 mt -65.03 96.67 0.2 Allowed 'General case' 0 C--N 1.344 0.346 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 -170.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.2 m -88.13 95.87 10.31 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 -177.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.0 m -113.47 143.43 23.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 N-CA-C 105.012 -2.218 . . . . 0.0 105.012 177.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -107.72 88.71 2.8 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 103.093 -2.928 . . . . 0.0 103.093 -169.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.3 m -151.21 128.3 11.13 Favored 'General case' 0 N--CA 1.443 -0.804 0 O-C-N 120.327 -1.483 . . . . 0.0 111.249 -158.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.0 m -60.72 140.36 57.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 118.027 -0.987 . . . . 0.0 108.631 -174.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.67 -37.67 29.53 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -162.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -97.53 -17.12 19.77 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 122.538 1.161 . . . . 0.0 113.645 -175.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -70.95 -39.24 72.71 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 124.573 1.149 . . . . 0.0 108.419 163.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.509 ' HA ' HD23 ' A' ' 37' ' ' LEU . 4.6 tt -64.05 -42.08 97.15 Favored 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 125.617 1.567 . . . . 0.0 110.697 172.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -58.68 -45.52 89.27 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 126.158 1.783 . . . . 0.0 109.567 172.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 33.4 m -57.5 -50.18 73.89 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -54.82 -36.78 65.35 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.265 1.026 . . . . 0.0 111.787 170.306 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -68.64 -30.0 68.61 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 120.286 -1.508 . . . . 0.0 110.492 177.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -69.88 -35.45 74.67 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 121.488 -0.758 . . . . 0.0 109.638 171.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.413 ' HA ' ' HB3' ' A' ' 43' ' ' SER . 71.4 mt -64.24 -27.91 69.37 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 118.648 0.658 . . . . 0.0 112.057 169.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -65.04 -47.9 75.76 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.834 1.254 . . . . 0.0 110.39 169.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 78.8 mt -67.76 -25.81 65.8 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.9 0.88 . . . . 0.0 112.859 176.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.413 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . 6.4 t -65.65 -81.96 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.822 2.049 . . . . 0.0 109.233 170.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.2 p -139.07 -14.88 1.15 Allowed 'General case' 0 C--N 1.345 0.38 0 N-CA-C 116.319 1.97 . . . . 0.0 116.319 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.2 tt -71.81 105.41 3.77 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -166.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.1 p -90.32 173.17 8.27 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 158.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -126.82 149.9 49.46 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 122.046 0.927 . . . . 0.0 111.18 -176.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.8 t -143.5 91.33 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 C-N-CA 128.176 2.591 . . . . 0.0 107.61 -162.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.2 p -58.19 157.58 16.47 Favored Pre-proline 0 CA--C 1.544 0.713 0 C-N-CA 125.237 1.415 . . . . 0.0 112.02 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.419 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 12.5 Cg_endo -56.6 -27.48 69.94 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 122.116 1.878 . . . . 0.0 115.597 -173.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -58.82 -67.09 0.4 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.775 1.23 . . . . 0.0 110.12 174.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.429 ' HG ' ' HG ' ' A' ' 16' ' ' CYS . 19.1 p -66.52 -25.25 66.58 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-O 118.645 -0.693 . . . . 0.0 111.996 177.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.419 ' HB3' ' HA ' ' A' ' 50' ' ' PRO . . . -62.77 -33.52 75.33 Favored 'General case' 0 N--CA 1.438 -1.071 0 C-N-CA 118.698 -1.201 . . . . 0.0 110.247 175.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.7 m -76.88 -48.57 17.92 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.469 1.508 . . . . 0.0 110.81 173.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 m120 . . . . . 0 N--CA 1.475 0.821 0 CA-C-O 118.429 -0.795 . . . . 0.0 112.642 -171.857 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 CA--C 1.54 0.81 0 CA-C-O 120.866 0.277 . . . . 0.0 112.644 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 -128.1 -56.33 1.26 Allowed 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 125.307 1.443 . . . . 0.0 109.589 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.7 89.73 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.844 1.657 . . . . 0.0 111.609 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 57.8 m170 -127.53 167.88 15.7 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.463 1.505 . . . . 0.0 110.062 -168.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.79 96.76 3.13 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 123.868 0.867 . . . . 0.0 109.482 -161.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 38.4 mt -88.13 99.57 9.07 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 173.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 tt -66.41 118.31 9.88 Favored 'General case' 0 N--CA 1.447 -0.595 0 O-C-N 120.651 -1.281 . . . . 0.0 108.698 171.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 t -126.64 -173.7 2.94 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 126.138 1.775 . . . . 0.0 108.348 171.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 15.3 m -125.39 154.76 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 169.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 12.7 t -72.01 131.58 43.09 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.146 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 7.5 t -59.45 -39.01 82.22 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -173.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.98 -15.13 18.4 Favored 'General case' 0 C--N 1.342 0.263 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -168.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 27.2 p -137.25 2.48 2.52 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -173.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 20.3 t0 55.14 20.37 3.31 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.606 1.963 . . . . 0.0 113.916 178.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.6 146.11 38.21 Favored Glycine 0 C--N 1.34 0.75 0 N-CA-C 109.624 -1.391 . . . . 0.0 109.624 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -66.23 116.65 7.51 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 124.968 1.307 . . . . 0.0 108.558 178.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 3.1 mt -122.42 111.26 29.6 Favored 'Isoleucine or valine' 0 C--N 1.341 0.22 0 CA-C-N 118.819 0.736 . . . . 0.0 109.113 176.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -77.86 87.04 4.08 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 167.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 48.9 mt -66.54 96.31 0.37 Allowed 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 -173.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 38.9 m -88.98 101.72 14.36 Favored 'General case' 0 N--CA 1.438 -1.058 0 N-CA-C 106.566 -1.642 . . . . 0.0 106.566 -174.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 7.6 m -120.69 140.85 43.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 105.021 -2.214 . . . . 0.0 105.021 -176.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.412 ' OE2' ' HE2' ' A' ' 18' ' ' LYS . 4.1 tt0 -112.23 80.25 1.31 Allowed 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 104.931 -2.248 . . . . 0.0 104.931 -160.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -152.19 155.69 38.29 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.343 0.592 . . . . 0.0 111.537 -173.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.0 m -52.42 143.54 15.06 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.364 1.865 . . . . 0.0 109.935 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.61 -36.03 61.55 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -165.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.64 -16.06 23.48 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -176.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.51 -42.62 82.52 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 123.86 0.864 . . . . 0.0 108.721 162.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.446 ' HA ' HD23 ' B' ' 37' ' ' LEU . 0.7 OUTLIER -60.4 -45.22 94.36 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.513 1.125 . . . . 0.0 110.42 172.628 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -60.69 -48.12 83.21 Favored 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 126.296 1.839 . . . . 0.0 108.463 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 36.0 m -56.92 -47.26 81.01 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -67.49 -28.74 68.1 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.782 0.719 . . . . 0.0 112.602 176.121 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -65.13 -35.62 81.67 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.087 -1.008 . . . . 0.0 108.953 171.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -67.8 -36.37 80.31 Favored 'General case' 0 C--N 1.343 0.307 0 CA-C-N 119.203 0.91 . . . . 0.0 109.983 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 60.1 mt -57.95 -44.96 87.28 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.823 0.738 . . . . 0.0 110.354 169.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -62.57 -42.74 99.74 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.104 0.865 . . . . 0.0 111.153 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 45.1 mt -64.94 -30.05 71.02 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.557 0.743 . . . . 0.0 112.1 176.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 22.0 t -79.5 -56.14 4.54 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.865 1.266 . . . . 0.0 111.572 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.9 p -149.48 -30.64 0.23 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.652 1.581 . . . . 0.0 115.265 -158.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 tp -93.68 155.86 17.02 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -158.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.8 p -140.91 176.5 8.75 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.77 1.628 . . . . 0.0 110.176 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -137.46 155.46 49.29 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 120.817 -1.177 . . . . 0.0 109.101 178.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . 0.256 1.5 t -139.46 103.31 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.828 0 C-N-CA 125.606 1.563 . . . . 0.0 107.543 -174.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 p -60.11 147.23 81.17 Favored Pre-proline 0 N--CA 1.47 0.563 0 C-N-CA 125.311 1.444 . . . . 0.0 110.538 -172.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -59.75 -30.93 93.24 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.386 2.058 . . . . 0.0 113.88 -171.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 20.2 t90 -58.79 -59.74 4.95 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 123.85 0.86 . . . . 0.0 109.875 173.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -68.94 -29.41 67.64 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 119.126 -0.464 . . . . 0.0 110.681 -178.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.34 -33.53 76.19 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 123.196 0.599 . . . . 0.0 111.075 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 39.5 m -73.92 -47.05 40.49 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.379 1.471 . . . . 0.0 110.331 174.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -70.16 -44.89 67.89 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.21 0.604 . . . . 0.0 111.898 -175.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.254 1.313 0 C-N-CA 129.854 3.262 . . . . 0.0 114.081 173.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . 0.253 1.0 OUTLIER . . . . . 0 N--CA 1.438 -1.041 0 CA-C-O 117.982 -1.008 . . . . 0.0 109.412 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.06 87.92 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 126.638 1.975 . . . . 0.0 112.633 -174.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -121.73 162.05 21.5 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.464 1.105 . . . . 0.0 109.79 -173.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.63 96.22 3.3 Favored 'General case' 0 CA--C 1.523 -0.075 0 C-N-CA 123.48 0.712 . . . . 0.0 109.802 -161.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.4 mt -87.51 101.36 11.28 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.253 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 174.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 tt -65.55 115.22 5.53 Favored 'General case' 0 N--CA 1.447 -0.599 0 O-C-N 120.811 -1.181 . . . . 0.0 108.392 171.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.5 t -133.58 -166.37 1.77 Allowed 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 126.393 1.877 . . . . 0.0 108.228 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.3 m -118.73 157.72 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 166.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 38.1 t -65.33 130.73 44.37 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 167.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 18.0 t -49.73 -36.01 24.11 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.289 1.436 . . . . 0.0 112.545 -178.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.37 -16.09 7.95 Favored 'General case' 0 C--N 1.343 0.291 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 -172.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 m -92.12 -17.62 24.69 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 119.375 0.989 . . . . 0.0 112.057 170.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.1 t0 49.13 34.55 6.02 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.443 1.497 . . . . 0.0 111.815 -169.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -106.96 147.34 16.19 Favored Glycine 0 C--N 1.34 0.788 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 -178.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -59.53 112.8 1.92 Allowed 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 126.371 1.868 . . . . 0.0 108.827 -174.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.9 mt -113.18 122.84 68.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 167.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -79.74 86.7 5.3 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 107.653 -1.239 . . . . 0.0 107.653 162.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.1 mt -64.08 95.95 0.13 Allowed 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.573 1.149 . . . . 0.0 108.034 -170.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 56.8 m -89.63 87.39 7.0 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 -172.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.7 m -106.31 145.07 14.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 104.949 -2.241 . . . . 0.0 104.949 -179.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . 0.269 1.7 tt0 -111.76 103.84 12.13 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 101.458 -3.534 . . . . 0.0 101.458 -169.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . 0.284 31.7 m -157.68 142.15 16.32 Favored 'General case' 0 C--O 1.221 -0.424 0 O-C-N 118.796 -2.44 . . . . 0.0 110.397 -158.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.3 m -67.68 147.16 53.05 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 121.131 1.787 . . . . 0.0 107.105 173.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.34 -32.51 64.76 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 -163.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -101.45 -16.54 16.81 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -177.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -65.81 -41.41 91.91 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 161.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.428 ' HA ' HD23 ' A' ' 37' ' ' LEU . 5.9 tt -61.26 -51.68 67.91 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 125.906 1.683 . . . . 0.0 110.781 172.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -52.17 -48.54 64.91 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 125.721 1.608 . . . . 0.0 108.654 177.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.7 m -57.54 -50.96 71.37 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 178.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -50.83 -41.37 57.56 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.552 1.141 . . . . 0.0 111.409 171.644 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -70.73 -31.55 68.42 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.262 1.425 . . . . 0.0 109.83 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -69.51 -33.85 73.42 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 119.388 0.994 . . . . 0.0 109.86 172.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.29 -49.62 76.49 Favored 'General case' 0 C--N 1.343 0.31 0 CA-C-N 118.732 0.696 . . . . 0.0 109.954 167.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -58.49 -42.21 87.09 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.472 0.578 . . . . 0.0 111.622 177.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.1 tt -61.05 -35.75 77.73 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.63 1.172 . . . . 0.0 111.639 174.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.4 t -85.52 -55.88 3.79 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.417 1.087 . . . . 0.0 112.479 -174.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.0 p -141.26 -19.06 0.79 Allowed 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.103 1.761 . . . . 0.0 115.605 -158.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mp -115.92 164.12 14.87 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 115.902 1.816 . . . . 0.0 115.902 -158.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.1 m -159.32 174.25 15.04 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.009 1.324 . . . . 0.0 110.496 171.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.21 152.71 35.16 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 125.194 1.398 . . . . 0.0 108.718 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 8.6 t -136.11 100.34 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.045 0 C-N-CA 127.692 2.397 . . . . 0.0 105.832 -171.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.3 p -58.76 156.62 23.56 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 125.346 1.458 . . . . 0.0 111.656 -170.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.434 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 19.1 Cg_endo -58.36 -27.15 80.33 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.555 2.17 . . . . 0.0 114.361 -173.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 16.6 t90 -59.41 -66.77 0.46 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.335 1.054 . . . . 0.0 110.315 173.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 18.8 p -65.01 -27.89 69.13 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 118.97 0.805 . . . . 0.0 111.588 176.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.434 ' HB3' ' HA ' ' A' ' 50' ' ' PRO . . . -60.54 -33.76 73.15 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 118.717 -1.193 . . . . 0.0 110.108 177.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 20.6 m -78.52 -46.71 18.9 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.667 1.587 . . . . 0.0 111.904 172.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.483 1.181 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -166.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo . . . . . 0 CA--C 1.537 0.67 0 N-CA-C 109.658 -0.939 . . . . 0.0 109.658 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -139.36 -65.81 0.47 Allowed 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 125.362 1.465 . . . . 0.0 108.526 -159.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.42 87.1 0.02 OUTLIER 'General case' 0 C--O 1.231 0.128 0 C-N-CA 125.613 1.565 . . . . 0.0 113.072 -174.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -122.76 165.97 15.71 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.056 0.942 . . . . 0.0 110.182 -169.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -142.65 96.74 2.99 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 122.903 0.481 . . . . 0.0 110.013 -158.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 39.6 mt -84.0 103.44 11.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 175.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 tt -66.84 116.55 7.84 Favored 'General case' 0 N--CA 1.45 -0.466 0 O-C-N 120.509 -1.369 . . . . 0.0 108.587 173.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 13.6 t -124.98 -174.25 3.0 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.898 1.679 . . . . 0.0 108.864 175.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 28.9 m -113.77 162.23 12.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 158.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 49.5 t -65.29 126.09 27.09 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 161.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 4.7 t -58.46 -28.58 65.46 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -178.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.87 -19.92 6.01 Favored 'General case' 0 C--N 1.343 0.287 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -170.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 18.5 m -89.36 -15.32 33.6 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 119.358 0.981 . . . . 0.0 112.064 166.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 32.0 t0 42.58 56.23 3.91 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.468 1.907 . . . . 0.0 111.924 -172.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -127.38 151.48 18.45 Favored Glycine 0 C--N 1.337 0.6 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 174.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -64.8 129.69 40.71 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 126.073 1.749 . . . . 0.0 109.298 -174.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 13.2 mt -129.45 143.82 39.98 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.19 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 171.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -110.48 86.95 2.41 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 76.0 mt -69.58 98.51 1.16 Allowed 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 114.5 -1.227 . . . . 0.0 108.715 -162.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 57.8 m -88.22 93.49 9.52 Favored 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 -169.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 29.8 m -106.1 123.16 60.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 104.843 -2.28 . . . . 0.0 104.843 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -88.42 98.28 11.53 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 103.088 -2.931 . . . . 0.0 103.088 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 45.3 m -153.25 138.92 17.86 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 124.104 0.962 . . . . 0.0 111.032 -158.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 47.5 m -60.44 141.61 56.17 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 175.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.41 -40.05 58.54 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -167.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -92.46 -10.88 36.28 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.958 0.885 . . . . 0.0 113.368 -175.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -79.63 -35.96 38.65 Favored 'General case' 0 N--CA 1.44 -0.964 0 C-N-CA 124.969 1.308 . . . . 0.0 108.429 167.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.469 ' HA ' HD23 ' B' ' 37' ' ' LEU . 1.2 tt -59.2 -47.09 86.6 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.426 1.091 . . . . 0.0 109.705 165.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -57.69 -49.96 74.78 Favored 'General case' 0 CA--C 1.514 -0.405 0 C-N-CA 125.304 1.442 . . . . 0.0 108.027 177.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 88.4 m -55.77 -52.06 65.26 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.325 0.65 . . . . 0.0 109.677 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.2 OUTLIER -64.94 -28.32 69.45 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 118.47 0.577 . . . . 0.0 111.977 178.113 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -67.9 -32.82 73.56 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 120.581 -1.324 . . . . 0.0 109.715 171.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -68.32 -34.55 76.33 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 119.594 1.088 . . . . 0.0 109.597 172.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 23.9 mt -59.83 -41.07 90.52 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.822 167.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -59.65 -45.13 92.95 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.8 1.182 . . . . 0.0 110.425 174.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 60.8 mt -65.35 -20.32 66.34 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 175.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 8.4 t -80.8 -77.64 0.2 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.17 1.788 . . . . 0.0 110.906 172.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.3 p -143.68 1.64 1.18 Allowed 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 -172.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.01 148.31 22.29 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 122.303 1.049 . . . . 0.0 112.609 -172.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.7 p -147.87 178.53 8.43 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 130.025 3.33 . . . . 0.0 107.776 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -135.86 158.29 44.76 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 120.137 -1.602 . . . . 0.0 110.12 176.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.453 HG13 ' SG ' ' B' ' 52' ' ' CYS . 5.1 t -140.32 104.89 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.162 0 C-N-CA 126.407 1.883 . . . . 0.0 107.138 -171.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 2.7 p -58.01 156.33 20.32 Favored Pre-proline 0 CA--C 1.538 0.509 0 C-N-CA 124.142 0.977 . . . . 0.0 112.221 -173.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . 0.437 ' HA ' ' HB3' ' B' ' 53' ' ' ALA . 18.3 Cg_endo -58.41 -22.44 58.65 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 122.169 1.912 . . . . 0.0 113.974 178.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -57.22 -67.69 0.3 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.763 1.225 . . . . 0.0 110.035 170.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.453 ' SG ' HG13 ' B' ' 48' ' ' VAL . 1.8 p -66.54 -23.89 66.29 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 119.121 0.873 . . . . 0.0 112.535 177.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.437 ' HB3' ' HA ' ' B' ' 50' ' ' PRO . . . -60.88 -41.09 95.31 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 118.35 -1.34 . . . . 0.0 109.767 174.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 22.0 m -76.9 -47.38 21.3 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.984 1.713 . . . . 0.0 111.627 178.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.69 -55.28 5.12 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.406 1.082 . . . . 0.0 111.69 -173.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 . . . . . 0 C--O 1.252 1.235 1 C-N-CA 134.22 5.008 . . . . 0.0 108.225 -160.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 . . . . . 0 N--CA 1.431 -1.393 0 CA-C-O 116.529 -1.7 . . . . 0.0 111.948 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.8 ttm-85 -59.13 84.98 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 121.158 1.799 . . . . 0.0 111.785 -176.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -120.89 165.7 14.83 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.298 1.039 . . . . 0.0 109.321 -169.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.26 97.67 3.54 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.428 0.691 . . . . 0.0 109.523 -164.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.4 mt -83.51 96.6 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 172.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.9 tt -64.47 113.33 3.6 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 169.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.1 t -122.69 -169.66 1.95 Allowed 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 124.953 1.301 . . . . 0.0 108.534 171.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.2 m -121.07 156.38 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 165.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 30.6 t -66.72 125.29 25.36 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 170.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 37.3 t -48.89 -35.79 15.61 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.192 1.397 . . . . 0.0 112.78 -177.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -115.51 -11.3 11.8 Favored 'General case' 0 C--N 1.342 0.269 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -173.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.8 m -103.27 -15.1 16.08 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 119.6 1.091 . . . . 0.0 112.397 173.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.7 t0 49.47 29.01 2.67 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.481 1.912 . . . . 0.0 112.454 -168.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.57 143.46 16.73 Favored Glycine 0 C--N 1.34 0.785 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 -177.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -62.45 115.87 4.6 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 126.615 1.966 . . . . 0.0 109.259 -175.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.7 mt -118.65 119.12 60.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 172.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -84.1 85.78 7.3 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.991 0.916 . . . . 0.0 108.609 170.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.2 mt -68.85 97.48 0.84 Allowed 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 123.827 0.851 . . . . 0.0 108.891 -170.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.402 HG22 ' CG2' ' B' ' 48' ' ' VAL . 9.9 m -82.51 108.33 15.83 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 -177.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.5 m -125.1 120.43 58.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 N-CA-C 104.512 -2.403 . . . . 0.0 104.512 177.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -77.99 95.27 4.78 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 172.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -154.57 157.68 38.63 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 121.191 0.52 . . . . 0.0 110.732 169.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.9 m -54.51 148.63 11.83 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.482 1.513 . . . . 0.0 110.495 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.58 -43.74 76.27 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.676 -0.64 . . . . 0.0 112.245 -171.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -82.18 -20.56 37.58 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.628 -0.67 . . . . 0.0 112.695 -176.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -67.54 -46.33 73.09 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 168.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.48 -36.72 74.18 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.159 1.783 . . . . 0.0 111.705 172.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -73.24 -44.38 59.57 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 127.305 2.242 . . . . 0.0 109.525 -178.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.2 m -56.71 -46.31 81.32 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 172.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.81 -37.19 75.82 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.495 1.518 . . . . 0.0 112.412 171.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -64.03 -33.67 76.28 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 119.851 -1.78 . . . . 0.0 110.085 172.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -70.88 -30.14 66.43 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.413 -0.805 . . . . 0.0 110.245 172.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.3 mt -65.21 -32.82 74.69 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.095 0.861 . . . . 0.0 112.167 169.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -62.91 -48.51 78.66 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.444 1.02 . . . . 0.0 110.181 168.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.8 mt -64.18 -24.87 67.83 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.5 t -68.42 -83.56 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 127.578 2.351 . . . . 0.0 109.594 167.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.0 p -139.86 -15.03 1.04 Allowed 'General case' 0 C--N 1.344 0.348 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -177.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 tt -72.79 144.72 47.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 122.801 1.286 . . . . 0.0 112.81 -163.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.6 m -147.33 164.76 32.25 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 158.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -109.94 149.93 29.21 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -173.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . 0.301 2.2 t -138.84 103.49 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.093 0 C-N-CA 126.03 1.732 . . . . 0.0 107.375 -171.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.8 p -56.67 142.55 71.02 Favored Pre-proline 0 CA--C 1.534 0.358 0 C-N-CA 125.328 1.451 . . . . 0.0 109.808 -171.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -59.45 -28.1 86.67 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 121.595 1.53 . . . . 0.0 113.449 -168.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 37.7 t90 -56.59 -64.5 0.85 Allowed 'General case' 0 C--O 1.235 0.323 0 C-N-CA 124.874 1.269 . . . . 0.0 110.583 171.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 14.1 p -66.01 -30.68 71.27 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 118.24 0.473 . . . . 0.0 110.592 -178.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.37 -37.61 88.11 Favored 'General case' 0 N--CA 1.442 -0.851 0 O-C-N 123.139 0.274 . . . . 0.0 111.165 -177.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 31.3 m -75.83 -47.02 27.33 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.71 1.604 . . . . 0.0 110.397 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 . . . . . 0 N--CA 1.468 0.469 0 C-N-CA 123.052 0.541 . . . . 0.0 111.165 -176.144 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo . . . . . 0 CA--C 1.541 0.855 0 CA-C-O 121.201 0.417 . . . . 0.0 112.85 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 15.5 mp0 -127.52 -52.43 1.37 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.958 1.703 . . . . 0.0 109.872 176.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.54 91.39 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.558 1.526 . . . . 0.0 110.539 -176.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 47.9 m170 -124.95 162.6 24.12 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.953 0.901 . . . . 0.0 109.543 -170.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.42 96.93 3.26 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -161.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 57.7 mt -83.16 95.32 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 105.665 -1.976 . . . . 0.0 105.665 170.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt -62.93 111.89 2.34 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 167.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 t -120.83 -172.22 2.34 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 124.981 1.313 . . . . 0.0 108.156 171.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 15.4 m -123.34 156.97 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 167.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 26.9 t -64.3 121.78 15.11 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 168.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 5.5 t -56.47 -19.15 13.92 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.507 1.123 . . . . 0.0 113.318 -171.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -125.83 -19.07 4.97 Favored 'General case' 0 C--N 1.342 0.27 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -171.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 14.5 p -114.99 0.38 13.66 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 120.224 1.375 . . . . 0.0 112.841 171.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 23.1 t0 56.61 21.48 5.81 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.589 1.956 . . . . 0.0 113.07 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.22 142.01 26.72 Favored Glycine 0 C--N 1.34 0.758 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -66.84 118.08 9.84 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 125.814 1.646 . . . . 0.0 109.294 -176.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 2.2 mt -125.17 112.76 32.66 Favored 'Isoleucine or valine' 0 C--N 1.341 0.203 0 CA-C-N 118.604 0.638 . . . . 0.0 109.498 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -83.52 83.96 7.7 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 171.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 46.6 mt -67.89 96.75 0.61 Allowed 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.05 0.94 . . . . 0.0 108.54 -170.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 33.5 m -87.01 100.1 12.37 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -175.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 m -106.73 117.14 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 103.085 -2.931 . . . . 0.0 103.085 176.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -84.59 96.77 9.28 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 104.715 -2.328 . . . . 0.0 104.715 175.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.6 t -157.31 156.55 32.59 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 123.199 0.6 . . . . 0.0 110.14 176.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.1 m -51.75 143.4 13.0 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 125.426 1.491 . . . . 0.0 110.093 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.36 -37.42 64.91 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -168.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -92.85 -15.43 26.47 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -175.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.93 -44.06 90.71 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 161.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.444 ' HA ' HD23 ' B' ' 37' ' ' LEU . 0.2 OUTLIER -61.6 -40.51 95.08 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.959 1.304 . . . . 0.0 111.838 173.615 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -65.73 -45.3 83.15 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 126.668 1.987 . . . . 0.0 109.06 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 27.9 m -56.49 -46.56 80.42 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 173.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -59.29 -35.62 74.08 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.959 1.304 . . . . 0.0 112.586 172.175 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -66.72 -31.67 72.48 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 119.955 -1.716 . . . . 0.0 110.331 172.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -71.42 -30.14 65.72 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.098 -1.001 . . . . 0.0 109.846 171.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.416 ' HA ' ' HB3' ' B' ' 43' ' ' SER . 81.6 mt -67.52 -30.61 70.32 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.726 0.694 . . . . 0.0 111.974 170.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -62.53 -50.89 69.57 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.459 1.027 . . . . 0.0 109.937 166.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 54.6 mt -62.76 -25.75 68.36 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . 0.416 ' HB3' ' HA ' ' B' ' 40' ' ' LEU . 5.7 t -67.74 -83.56 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 127.284 2.234 . . . . 0.0 109.625 167.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 69.8 p -139.5 -15.81 1.06 Allowed 'General case' 0 C--N 1.345 0.389 0 N-CA-C 115.902 1.816 . . . . 0.0 115.902 -177.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 tt -69.92 143.14 52.81 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 122.86 1.314 . . . . 0.0 112.479 -164.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.0 m -147.6 168.43 22.03 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 125.289 1.436 . . . . 0.0 107.655 159.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -115.32 157.32 23.99 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 122.242 1.02 . . . . 0.0 108.672 -171.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.402 ' CG2' HG22 ' A' ' 26' ' ' THR . 0.0 OUTLIER -136.08 116.65 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.999 0 C-N-CA 126.098 1.759 . . . . 0.0 107.419 -179.636 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 14.0 p -60.01 155.73 41.85 Favored Pre-proline 0 CA--C 1.536 0.42 0 C-N-CA 123.497 0.719 . . . . 0.0 110.165 -175.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -59.06 -26.08 80.32 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 121.72 1.614 . . . . 0.0 113.153 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 81.9 t90 -61.84 -48.22 81.53 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 118.763 -0.637 . . . . 0.0 111.249 171.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 32.0 m -73.05 -29.49 63.02 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 118.833 0.742 . . . . 0.0 112.117 175.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.25 -32.57 73.28 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.342 0.974 . . . . 0.0 110.866 170.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 28.1 m -84.46 -43.03 15.0 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.64 1.176 . . . . 0.0 111.912 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -121.32 -16.65 7.85 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -165.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 C--O 1.253 1.277 0 C-N-CA 126.865 2.066 . . . . 0.0 111.866 -158.794 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . 0.256 1.4 mp0 . . . . . 0 N--CA 1.441 -0.897 0 CA-C-O 117.615 -1.183 . . . . 0.0 109.919 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.73 92.17 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.38 1.872 . . . . 0.0 111.518 177.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -127.37 150.59 49.54 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 121.326 -0.859 . . . . 0.0 109.731 -174.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -131.06 95.3 3.77 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 122.908 0.483 . . . . 0.0 111.318 -158.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.5 mt -86.39 99.0 7.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tt -66.34 112.93 4.26 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 120.185 -1.572 . . . . 0.0 108.835 173.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.5 t -131.63 -162.15 1.2 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.183 0.993 . . . . 0.0 110.656 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.0 m -125.8 155.01 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.537 1.135 . . . . 0.0 108.923 170.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.422 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 38.5 t -73.17 133.41 44.05 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 124.055 0.942 . . . . 0.0 108.826 170.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.3 t -51.01 -41.12 59.57 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.0 0.92 . . . . 0.0 112.272 171.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.09 -12.34 2.85 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -159.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.0 m -82.23 -16.71 48.64 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.94 158.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.2 t0 43.34 64.14 1.32 Allowed 'General case' 0 C--N 1.346 0.429 0 C-N-CA 126.35 1.86 . . . . 0.0 111.108 -169.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.84 156.59 26.77 Favored Glycine 0 C--N 1.337 0.584 0 N-CA-C 110.421 -1.072 . . . . 0.0 110.421 -175.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.0 133.6 52.05 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 125.551 1.54 . . . . 0.0 109.394 -178.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.3 mt -123.3 151.08 27.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 167.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -116.15 84.28 2.09 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 175.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.7 mt -70.59 90.68 0.76 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.212 -1.358 . . . . 0.0 109.491 -161.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.2 m -86.98 88.27 7.66 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 -175.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.5 m -92.69 174.19 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 169.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -134.04 94.56 3.27 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 103.942 -2.614 . . . . 0.0 103.942 -172.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.4 m -151.2 150.6 30.81 Favored 'General case' 0 C--O 1.22 -0.496 0 O-C-N 120.08 -1.637 . . . . 0.0 110.417 -158.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.0 m -70.6 156.26 39.66 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 121.726 2.057 . . . . 0.0 108.7 171.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.1 -45.38 87.3 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.615 1.098 . . . . 0.0 113.025 -171.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -76.75 -19.42 57.65 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 121.659 0.742 . . . . 0.0 111.776 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -81.91 -38.36 25.43 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.457 1.503 . . . . 0.0 108.966 178.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.487 ' HA ' HD23 ' A' ' 37' ' ' LEU . 1.3 tt -57.99 -44.41 87.17 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 126.068 1.747 . . . . 0.0 109.775 164.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -64.31 -43.43 94.71 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 123.852 0.861 . . . . 0.0 109.933 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 85.3 m -56.7 -50.11 73.13 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 175.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -68.34 -23.69 64.73 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.295 -0.878 . . . . 0.0 112.516 176.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -67.7 -32.35 72.94 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 120.461 -1.399 . . . . 0.0 109.912 168.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -69.81 -35.42 74.81 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.066 -1.021 . . . . 0.0 109.781 171.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.9 mt -62.49 -29.38 70.5 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 118.762 0.71 . . . . 0.0 112.105 169.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.59 -50.13 68.41 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.033 1.733 . . . . 0.0 110.123 171.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 70.5 mt -66.71 -25.74 66.67 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.157 0.983 . . . . 0.0 112.43 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.9 t -66.81 -82.36 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 127.037 2.135 . . . . 0.0 109.557 170.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.9 p -138.93 -15.59 1.14 Allowed 'General case' 0 C--N 1.344 0.334 0 N-CA-C 116.137 1.903 . . . . 0.0 116.137 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.9 tt -72.28 109.06 5.76 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -166.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 p -96.7 176.44 6.0 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.249 1.02 . . . . 0.0 108.597 159.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -127.96 142.54 51.22 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.229 1.011 . . . . 0.0 110.733 -173.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.8 t -141.63 83.98 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.933 0 C-N-CA 126.493 1.917 . . . . 0.0 106.776 -163.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.0 p -55.37 159.21 4.71 Favored Pre-proline 0 N--CA 1.474 0.751 0 C-N-CA 127.047 2.139 . . . . 0.0 112.22 -176.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.439 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 14.4 Cg_endo -58.5 -25.77 75.5 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 122.379 2.053 . . . . 0.0 115.107 -170.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -58.47 -63.68 1.19 Allowed 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.325 1.05 . . . . 0.0 110.302 172.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.422 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 5.6 p -69.54 -24.13 63.68 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 119.161 0.891 . . . . 0.0 112.268 174.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.439 ' HB3' ' HA ' ' A' ' 50' ' ' PRO . . . -58.35 -39.18 78.83 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 118.192 -1.403 . . . . 0.0 109.612 176.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.7 m -74.62 -61.86 1.73 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 127.094 2.158 . . . . 0.0 111.357 173.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 m120 . . . . . 0 N--CA 1.477 0.889 0 C-N-CA 124.948 1.299 . . . . 0.0 113.341 -167.549 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo . . . . . 0 CA--C 1.538 0.724 0 CA-C-O 121.489 0.537 . . . . 0.0 112.434 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 17.5 mp0 -127.78 -57.52 1.26 Allowed 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 126.126 1.771 . . . . 0.0 109.02 172.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.36 88.37 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 126.051 1.74 . . . . 0.0 112.101 179.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 58.6 m170 -124.62 161.26 26.63 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 125.136 1.374 . . . . 0.0 110.189 -167.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -136.79 90.18 2.52 Favored 'General case' 0 C--N 1.337 0.062 0 C-N-CA 124.134 0.974 . . . . 0.0 108.976 -160.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 18.9 mt -84.8 101.83 9.87 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.22 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 175.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 tt -65.69 116.35 6.82 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 120.597 -1.315 . . . . 0.0 108.355 171.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 3.7 t -131.25 -166.75 1.75 Allowed 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 126.734 2.014 . . . . 0.0 108.043 176.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 19.7 m -126.51 157.91 36.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-O 121.464 0.65 . . . . 0.0 110.093 169.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . 0.433 ' HB3' ' SG ' ' B' ' 19' ' ' CYS . 47.7 t -66.62 102.63 0.94 Allowed 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 161.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 15.0 t -50.19 -34.07 21.38 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.636 1.174 . . . . 0.0 112.934 -171.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . 0.464 ' HD3' ' CG1' ' B' ' 48' ' ' VAL . 21.5 ptmt -87.54 -16.96 33.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 125.248 1.419 . . . . 0.0 113.616 -174.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' B' ' 16' ' ' CYS . 1.4 p -129.21 -0.55 5.14 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -179.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 21.8 t0 55.27 19.02 2.74 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 128.257 2.623 . . . . 0.0 113.576 -174.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.0 142.3 26.25 Favored Glycine 0 C--N 1.34 0.777 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 -177.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -64.36 122.27 16.29 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 125.798 1.639 . . . . 0.0 108.934 -176.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 5.8 mt -127.29 120.27 54.61 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 171.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -81.32 87.4 6.15 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 107.559 -1.275 . . . . 0.0 107.559 166.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 56.4 mt -65.33 97.31 0.27 Allowed 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 -172.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 81.7 m -92.75 92.31 7.9 Favored 'General case' 0 N--CA 1.435 -1.21 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 -171.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.437 HG21 HD21 ' B' ' 37' ' ' LEU . 11.4 m -115.52 139.11 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 -175.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -112.33 79.89 1.27 Allowed 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 105.899 -1.889 . . . . 0.0 105.899 -159.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -150.71 154.59 37.69 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.229 0.538 . . . . 0.0 111.176 -174.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.9 m -50.2 141.4 11.43 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 126.316 1.846 . . . . 0.0 109.665 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.54 -37.57 65.56 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -166.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -84.3 -25.53 29.22 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.619 0.645 . . . . 0.0 112.725 -176.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -67.41 -45.5 75.97 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.587 1.155 . . . . 0.0 108.249 169.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.531 ' HA ' HD23 ' B' ' 37' ' ' LEU . 1.3 tt -59.5 -44.22 93.15 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 125.131 1.372 . . . . 0.0 111.321 172.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -60.7 -46.11 91.65 Favored 'General case' 0 CA--C 1.51 -0.559 0 C-N-CA 127.006 2.122 . . . . 0.0 108.983 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 33.8 m -56.75 -50.47 72.17 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 175.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.531 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -52.7 -40.84 63.34 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.657 1.183 . . . . 0.0 111.457 170.805 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -68.89 -30.55 69.07 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 120.453 -1.404 . . . . 0.0 110.589 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -67.85 -36.61 80.62 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 119.08 0.855 . . . . 0.0 109.511 172.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 17.6 mt -57.1 -45.6 83.25 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-O 118.843 -0.599 . . . . 0.0 109.953 169.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -63.03 -42.65 99.83 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.02 0.827 . . . . 0.0 111.314 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 41.7 mt -64.6 -27.43 68.94 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.657 0.783 . . . . 0.0 111.866 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 7.3 t -83.08 -65.34 1.02 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.902 1.681 . . . . 0.0 112.298 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -143.93 -16.03 0.61 Allowed 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 -158.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mp -104.19 152.8 21.72 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -163.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -141.4 178.17 7.61 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.544 2.338 . . . . 0.0 109.657 174.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -133.68 164.54 26.97 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 124.337 1.055 . . . . 0.0 108.756 178.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.464 ' CG1' ' HD3' ' B' ' 18' ' ' LYS . 0.4 OUTLIER -133.93 118.38 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.123 0 C-N-CA 125.89 1.676 . . . . 0.0 109.061 -174.691 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 23.7 p -65.22 150.01 96.17 Favored Pre-proline 0 CA--C 1.538 0.482 0 O-C-N 121.494 -0.754 . . . . 0.0 109.686 178.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.16 -29.31 45.43 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.397 2.065 . . . . 0.0 114.62 -178.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 19.9 t90 -58.52 -69.65 0.18 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.144 1.378 . . . . 0.0 110.013 172.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 69.6 m -66.59 -26.91 67.33 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.506 0.722 . . . . 0.0 112.879 -175.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.48 -53.98 51.9 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 124.312 1.045 . . . . 0.0 110.502 171.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 28.9 m -69.73 -47.52 62.78 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.737 1.215 . . . . 0.0 110.485 -177.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -75.03 -29.73 60.88 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 118.15 -0.929 . . . . 0.0 111.867 -172.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.251 1.137 0 CA-C-O 115.298 -2.286 . . . . 0.0 109.801 -159.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 . . . . . 0 N--CA 1.45 -0.44 0 CA-C-O 118.218 -0.896 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.451 ' HE ' ' CG2' ' A' ' 26' ' ' THR . 0.1 OUTLIER -57.35 100.81 0.05 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.714 1.143 . . . . 0.0 108.981 177.745 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -133.44 147.24 51.69 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.849 0.86 . . . . 0.0 110.395 -170.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -129.87 95.95 4.09 Favored 'General case' 0 CA--C 1.509 -0.628 0 C-N-CA 123.582 0.753 . . . . 0.0 111.129 -158.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.0 mt -87.08 94.59 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 N-CA-C 105.482 -2.044 . . . . 0.0 105.482 167.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.0 tt -63.66 104.61 0.68 Allowed 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 162.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -116.2 -170.06 1.73 Allowed 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.25 1.02 . . . . 0.0 109.27 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.3 m -124.2 155.07 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 124.077 0.951 . . . . 0.0 109.453 175.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.417 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 16.7 t -75.33 136.12 40.84 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.934 -174.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.7 t -50.75 -48.99 58.99 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 124.889 1.276 . . . . 0.0 111.688 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -101.77 -17.24 16.33 Favored 'General case' 0 C--N 1.341 0.207 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -164.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.6 p -133.08 2.26 3.6 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -174.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.4 t0 55.27 16.07 1.55 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.615 1.966 . . . . 0.0 113.734 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.64 148.33 38.37 Favored Glycine 0 C--N 1.339 0.706 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 -176.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -61.75 125.99 25.76 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 177.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.6 mt -125.1 111.58 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 171.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.41 102.77 2.72 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 163.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.2 mt -84.09 82.75 8.22 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 176.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.451 ' CG2' ' HE ' ' A' ' 9' ' ' ARG . 96.7 m -69.57 93.42 0.69 Allowed 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 159.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 m -88.58 162.6 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 N-CA-C 103.695 -2.706 . . . . 0.0 103.695 158.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -127.08 101.06 6.37 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 119.938 -1.727 . . . . 0.0 106.647 176.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -167.57 162.7 14.42 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 122.909 0.483 . . . . 0.0 110.492 169.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.4 m -49.41 145.97 4.29 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.627 1.571 . . . . 0.0 110.894 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.29 -37.26 67.1 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -166.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -79.53 -25.67 41.65 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.914 0.886 . . . . 0.0 113.103 -178.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -68.6 -45.98 70.52 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 171.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' ' 37' ' ' LEU . 1.1 tt -57.41 -44.59 84.7 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 124.439 1.096 . . . . 0.0 111.032 171.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -62.33 -42.72 99.61 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 125.421 1.488 . . . . 0.0 109.377 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.4 m -59.48 -47.47 85.37 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 174.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -53.31 -40.0 64.45 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.497 1.119 . . . . 0.0 111.442 169.748 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -70.11 -30.15 67.27 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 120.609 -1.307 . . . . 0.0 110.158 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -70.28 -35.32 73.66 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 119.152 0.887 . . . . 0.0 109.681 172.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.9 mt -64.44 -30.79 71.82 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 118.396 0.543 . . . . 0.0 111.304 169.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.3 -47.18 74.41 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.079 1.352 . . . . 0.0 110.59 172.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.3 mt -68.0 -26.96 66.16 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.39 1.076 . . . . 0.0 112.185 176.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.9 t -65.62 -77.9 0.06 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 127.562 2.345 . . . . 0.0 109.87 171.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.2 p -139.49 -25.37 0.84 Allowed 'General case' 0 C--N 1.343 0.297 0 N-CA-C 115.413 1.634 . . . . 0.0 115.413 176.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 tt -63.92 114.17 3.92 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 120.839 0.352 . . . . 0.0 111.811 -163.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.0 m -101.24 167.86 9.93 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 160.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -124.08 149.6 45.97 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 -178.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.567 HG21 ' CD ' ' B' ' 28' ' ' GLU 0.277 2.1 t -139.48 108.41 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 C-N-CA 124.827 1.251 . . . . 0.0 109.005 -169.405 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 p -61.17 146.35 88.51 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 125.751 1.62 . . . . 0.0 110.092 -172.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -59.59 -26.95 83.72 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.21 1.94 . . . . 0.0 113.846 -170.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -56.79 -66.02 0.52 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.986 1.314 . . . . 0.0 110.37 170.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.417 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 3.0 p -71.82 -16.77 62.17 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 118.17 0.441 . . . . 0.0 112.02 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.77 -42.79 76.94 Favored 'General case' 0 N--CA 1.436 -1.127 0 C-N-CA 119.743 -0.783 . . . . 0.0 109.074 173.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.2 m -70.89 -46.53 62.42 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.694 1.597 . . . . 0.0 110.775 177.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 . . . . . 0 N--CA 1.471 0.605 0 C-N-CA 123.127 0.571 . . . . 0.0 112.52 -175.1 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo . . . . . 0 CA--C 1.541 0.871 0 CA-C-O 120.449 0.104 . . . . 0.0 112.225 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 16.4 mp0 -129.33 -53.48 1.18 Allowed 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 125.117 1.367 . . . . 0.0 110.083 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.28 95.55 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.142 1.377 . . . . 0.0 110.714 -175.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 42.4 m170 -128.57 163.46 24.96 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.8 0.84 . . . . 0.0 109.42 -168.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.59 94.63 2.94 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 123.985 0.914 . . . . 0.0 109.061 -165.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 33.0 mt -83.05 95.21 3.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.283 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 172.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 tt -63.1 109.1 1.4 Allowed 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 166.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 3.4 t -120.75 -172.88 2.47 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.023 0.929 . . . . 0.0 108.609 169.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.0 m -119.14 152.96 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 171.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . 0.5 ' SG ' ' HA ' ' B' ' 48' ' ' VAL . 11.9 t -69.05 132.59 46.87 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.057 -178.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 29.0 t -55.57 -40.48 72.01 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.373 1.069 . . . . 0.0 112.138 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.48 -11.7 15.44 Favored 'General case' 0 C--N 1.345 0.405 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -169.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 31.1 p -135.46 3.81 3.09 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 20.2 t0 57.06 16.82 3.08 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.31 1.844 . . . . 0.0 113.907 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.16 147.54 39.57 Favored Glycine 0 C--N 1.34 0.764 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 -177.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -66.69 114.83 5.9 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 125.387 1.475 . . . . 0.0 109.202 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 16.8 mt -120.89 109.64 25.91 Favored 'Isoleucine or valine' 0 C--N 1.34 0.171 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 176.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -78.65 82.41 4.89 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 124.231 1.013 . . . . 0.0 108.71 168.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 24.4 mt -64.45 96.49 0.17 Allowed 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.735 1.214 . . . . 0.0 108.13 -172.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 24.5 m -85.57 95.87 9.46 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 -177.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 m -114.57 124.96 71.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 103.146 -2.909 . . . . 0.0 103.146 -178.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . 0.567 ' CD ' HG21 ' A' ' 48' ' ' VAL . 19.4 mt-10 -103.87 91.0 3.8 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 104.808 -2.293 . . . . 0.0 104.808 -169.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.7 t -153.18 156.37 38.44 Favored 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 124.322 1.049 . . . . 0.0 110.248 -176.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.9 m -51.87 141.56 17.19 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.953 1.301 . . . . 0.0 109.916 176.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.12 -34.49 63.77 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -165.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -97.16 -16.56 20.38 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -174.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -62.52 -45.21 94.04 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 159.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.47 ' HA ' HD23 ' B' ' 37' ' ' LEU . 0.5 OUTLIER -62.0 -42.15 98.84 Favored 'General case' 0 C--O 1.222 -0.358 0 C-N-CA 125.156 1.382 . . . . 0.0 111.915 174.514 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -63.95 -45.46 89.05 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 126.47 1.908 . . . . 0.0 109.222 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 30.3 m -56.14 -48.63 75.89 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 174.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -55.45 -38.49 69.11 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.753 1.221 . . . . 0.0 111.953 171.132 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -68.09 -30.12 69.23 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 120.224 -1.548 . . . . 0.0 110.312 176.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -70.56 -33.95 71.68 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 118.941 0.791 . . . . 0.0 109.837 172.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 40.7 mt -61.26 -39.53 90.72 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 118.478 0.581 . . . . 0.0 110.693 170.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . 0.422 ' CE1' ' HA ' ' B' ' 46' ' ' SER . 3.0 m-85 -61.09 -51.75 67.8 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.472 0.709 . . . . 0.0 110.142 172.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 37.4 mt -62.17 -30.45 71.07 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.934 0.894 . . . . 0.0 111.976 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 13.8 t -67.02 -66.88 0.5 Allowed 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 125.513 1.525 . . . . 0.0 110.536 170.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -152.15 -38.93 0.11 Allowed 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -158.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.8 tt -71.93 152.77 42.28 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 122.5 1.143 . . . . 0.0 112.511 -163.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . 0.422 ' HA ' ' CE1' ' B' ' 41' ' ' PHE . 57.9 m -145.2 -179.19 6.47 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.029 -1.044 . . . . 0.0 109.368 164.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -127.13 156.72 41.32 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.391 1.076 . . . . 0.0 108.242 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.5 ' HA ' ' SG ' ' B' ' 16' ' ' CYS 0.325 0.5 OUTLIER -141.11 109.29 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -179.666 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 3.1 p -60.18 144.1 87.76 Favored Pre-proline 0 CA--C 1.535 0.37 0 C-N-CA 125.627 1.571 . . . . 0.0 110.532 -169.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.51 -28.53 86.84 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 121.688 1.592 . . . . 0.0 113.933 -167.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -57.04 -64.23 0.95 Allowed 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 172.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 1.3 p -65.97 -27.5 68.2 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 122.929 0.492 . . . . 0.0 110.971 -175.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.51 -18.24 55.05 Favored 'General case' 0 N--CA 1.442 -0.834 0 O-C-N 124.394 1.059 . . . . 0.0 111.827 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 27.7 m -90.48 -38.58 13.14 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.059 1.344 . . . . 0.0 110.783 169.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -62.59 -36.9 84.19 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.018 0.826 . . . . 0.0 110.488 172.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.256 1.406 0 C-N-CA 128.75 2.82 . . . . 0.0 115.963 158.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.3 mp0 . . . . . 0 N--CA 1.451 -0.382 0 CA-C-O 118.263 -0.875 . . . . 0.0 109.213 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.54 94.9 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.578 1.151 . . . . 0.0 110.602 -176.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 45.4 m170 -127.1 167.64 15.71 Favored 'General case' 0 C--N 1.34 0.159 0 CA-C-N 118.429 0.559 . . . . 0.0 110.567 -170.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -142.85 97.52 3.12 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 124.805 1.242 . . . . 0.0 109.189 -161.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.9 mt -85.5 94.25 3.97 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.319 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 168.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 tt -66.62 111.82 3.84 Favored 'General case' 0 N--CA 1.446 -0.643 0 O-C-N 120.438 -1.414 . . . . 0.0 108.69 169.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 t -120.11 -173.24 2.51 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 123.81 0.844 . . . . 0.0 109.124 167.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.8 m -121.24 153.45 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 167.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 14.0 t -69.0 131.0 44.37 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.002 -175.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.3 t -57.67 -36.14 71.51 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.082 0.553 . . . . 0.0 111.96 -173.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -111.12 -11.15 14.29 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -166.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 30.5 p -139.45 4.11 2.16 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.3 t0 57.74 17.4 4.11 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.941 2.097 . . . . 0.0 114.302 175.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.64 148.02 39.55 Favored Glycine 0 C--N 1.339 0.749 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -66.39 113.6 4.78 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 124.785 1.234 . . . . 0.0 108.98 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.3 mt -116.7 105.66 18.72 Favored 'Isoleucine or valine' 0 C--N 1.341 0.232 0 CA-C-O 121.914 0.864 . . . . 0.0 109.209 177.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -80.01 84.75 5.7 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.341 1.056 . . . . 0.0 108.803 169.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.8 mt -68.86 93.5 0.55 Allowed 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.572 0.749 . . . . 0.0 109.116 -171.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.455 HG22 HG23 ' B' ' 48' ' ' VAL . 8.4 m -87.7 98.84 11.67 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 -173.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.3 m -121.04 117.37 52.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 N-CA-C 104.205 -2.517 . . . . 0.0 104.205 -178.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -79.14 105.87 10.77 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 174.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.406 ' OG ' ' OD1' ' A' ' 33' ' ' ASP . 0.9 OUTLIER -159.69 155.76 26.61 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 118.213 0.46 . . . . 0.0 111.449 168.383 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.2 m -51.86 141.55 17.19 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.929 1.292 . . . . 0.0 109.903 176.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.53 -35.47 63.24 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -166.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -85.13 -25.52 27.44 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.406 ' OD1' ' OG ' ' A' ' 29' ' ' SER . 10.2 t70 -67.18 -44.21 80.23 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 169.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.599 ' HA ' HD23 ' A' ' 37' ' ' LEU . 2.8 tt -57.6 -48.97 77.94 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 124.681 1.193 . . . . 0.0 110.677 170.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -56.67 -47.35 80.0 Favored 'General case' 0 CA--C 1.51 -0.568 0 C-N-CA 125.417 1.487 . . . . 0.0 109.191 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.7 m -57.01 -48.28 78.85 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 124.177 0.923 . . . . 0.0 109.248 177.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.599 HD23 ' HA ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -58.62 -36.04 73.42 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.969 -0.457 . . . . 0.0 110.986 172.808 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -71.63 -24.93 61.96 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.82 -1.175 . . . . 0.0 111.12 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -71.88 -37.85 70.09 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 119.066 0.848 . . . . 0.0 109.45 170.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.7 mt -60.59 -35.1 75.27 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.669 0.668 . . . . 0.0 110.607 169.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.67 -48.44 77.19 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 125.13 1.372 . . . . 0.0 110.415 174.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.4 mt -63.47 -33.16 74.97 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.735 0.814 . . . . 0.0 112.063 176.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.1 t -74.78 -62.21 1.61 Allowed 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 125.881 1.672 . . . . 0.0 112.106 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.18 -35.11 0.44 Allowed 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -158.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.5 tt -89.36 143.56 26.73 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.638 0.775 . . . . 0.0 112.222 -161.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 p -127.97 -179.6 5.06 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 128.578 2.751 . . . . 0.0 108.38 168.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.426 ' CZ ' HG12 ' B' ' 27' ' ' VAL . 0.2 OUTLIER -139.48 155.27 47.66 Favored 'General case' 0 C--O 1.237 0.417 0 O-C-N 120.881 -1.137 . . . . 0.0 111.751 -177.83 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.9 t -145.66 98.73 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 C-N-CA 126.814 2.045 . . . . 0.0 107.493 -162.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.5 p -58.92 153.79 41.83 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 125.776 1.631 . . . . 0.0 110.486 -175.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -60.81 -25.24 80.8 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 122.155 1.903 . . . . 0.0 113.812 -174.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 14.4 t90 -56.59 -68.23 0.23 Allowed 'General case' 0 C--N 1.341 0.237 0 C-N-CA 125.076 1.35 . . . . 0.0 109.805 172.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.2 p -66.63 -27.19 67.49 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 118.41 0.55 . . . . 0.0 111.555 179.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.4 -38.19 86.18 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 118.77 -1.172 . . . . 0.0 110.255 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.9 m -75.35 -48.78 21.48 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.361 1.865 . . . . 0.0 111.329 175.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 . . . . . 0 N--CA 1.474 0.774 0 C-N-CA 124.157 0.983 . . . . 0.0 113.006 -170.878 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo . . . . . 0 CA--C 1.539 0.76 0 CA-C-O 121.125 0.386 . . . . 0.0 111.919 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -127.38 -58.95 1.25 Allowed 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.465 1.506 . . . . 0.0 109.593 176.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.17 95.99 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.198 1.399 . . . . 0.0 110.294 177.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 56.9 m170 -131.35 144.4 51.21 Favored 'General case' 0 C--O 1.227 -0.107 0 C-N-CA 124.495 1.118 . . . . 0.0 109.398 -165.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -124.02 88.49 2.92 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 124.668 1.187 . . . . 0.0 109.76 -158.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 14.5 mt -84.35 102.27 10.06 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.207 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt -68.39 115.07 7.4 Favored 'General case' 0 N--CA 1.446 -0.653 0 O-C-N 120.942 -1.099 . . . . 0.0 108.817 175.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 14.5 t -125.73 -172.79 2.68 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.568 1.947 . . . . 0.0 108.555 178.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 20.6 m -109.65 162.22 7.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 158.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 38.4 t -64.28 131.85 48.53 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 161.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 35.9 t -51.31 -38.11 51.21 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.552 1.541 . . . . 0.0 111.828 178.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.18 -17.67 4.72 Favored 'General case' 0 C--N 1.343 0.314 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -171.007 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.1 m -83.76 -13.94 52.7 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.51 1.05 . . . . 0.0 110.95 167.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 25.9 t0 47.52 36.75 5.53 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.19 1.796 . . . . 0.0 111.994 -176.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -116.86 150.45 18.54 Favored Glycine 0 C--N 1.339 0.72 0 N-CA-C 108.804 -1.718 . . . . 0.0 108.804 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.36 132.16 47.72 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.78 0.832 . . . . 0.0 108.895 -172.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 44.2 mt -125.95 128.46 71.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 170.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -78.19 97.2 5.42 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 162.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.8 mt -73.03 90.99 1.54 Allowed 'General case' 0 C--O 1.234 0.263 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -178.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 22.0 m -79.63 97.16 6.41 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 172.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.426 HG12 ' CZ ' ' A' ' 47' ' ' PHE . 1.3 m -93.79 176.69 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 N-CA-C 104.725 -2.324 . . . . 0.0 104.725 164.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -135.74 88.31 2.39 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 6.1 t -159.11 155.47 27.35 Favored 'General case' 0 C--N 1.343 0.298 0 O-C-N 121.135 -0.978 . . . . 0.0 111.48 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 18.3 m -53.33 144.48 16.26 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 125.127 1.371 . . . . 0.0 110.128 177.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.11 -33.37 57.54 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -163.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -99.21 -19.26 17.22 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -173.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -64.41 -42.97 95.79 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 159.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.468 ' HA ' HD23 ' B' ' 37' ' ' LEU . 2.1 tt -61.89 -43.81 98.09 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 123.574 0.749 . . . . 0.0 111.55 174.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -56.9 -45.9 82.32 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 126.429 1.892 . . . . 0.0 109.015 175.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 22.2 m -58.3 -47.11 84.72 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 122.964 0.506 . . . . 0.0 109.652 174.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -55.31 -38.6 68.89 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.24 1.016 . . . . 0.0 111.516 170.12 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -70.16 -28.58 65.45 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 120.279 -1.513 . . . . 0.0 110.807 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -70.45 -34.41 72.41 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.179 -0.95 . . . . 0.0 109.58 171.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 67.6 mt -65.13 -30.13 71.03 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 118.84 -0.6 . . . . 0.0 111.354 169.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -64.26 -45.56 87.58 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.525 1.057 . . . . 0.0 110.622 169.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 64.7 mt -63.46 -25.81 68.44 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 175.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 6.4 t -69.56 -81.26 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.19 1.796 . . . . 0.0 109.937 168.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 35.5 p -144.69 -23.54 0.52 Allowed 'General case' 0 C--O 1.236 0.353 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 30.3 tp -54.86 113.73 1.45 Allowed 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 124.724 1.21 . . . . 0.0 110.449 -167.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 20.1 m -125.77 158.13 35.7 Favored 'General case' 0 N--CA 1.439 -0.991 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -116.32 145.22 43.35 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -172.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . 0.455 HG23 HG22 ' A' ' 26' ' ' THR . 0.5 OUTLIER -131.48 118.3 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.204 0 C-N-CA 125.888 1.675 . . . . 0.0 108.521 175.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 p -63.43 158.68 56.25 Favored Pre-proline 0 CA--C 1.54 0.564 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.117 -177.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.79 -27.4 26.88 Favored 'Trans proline' 0 CA--C 1.545 1.048 0 C-N-CA 121.303 1.335 . . . . 0.0 115.49 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 15.7 t90 -61.51 -65.82 0.63 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.173 0.989 . . . . 0.0 110.874 175.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -59.83 -35.0 73.82 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 118.658 0.663 . . . . 0.0 111.08 177.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.43 -39.01 78.66 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 119.328 -0.368 . . . . 0.0 111.43 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 25.6 m -80.95 -50.07 10.19 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.983 1.313 . . . . 0.0 111.098 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.43 -44.95 49.53 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.739 0.816 . . . . 0.0 111.97 -172.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 . . . . . 0 C--O 1.251 1.16 0 C-N-CA 126.454 1.902 . . . . 0.0 110.494 -159.752 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . 0.296 2.0 mp0 . . . . . 0 N--CA 1.442 -0.838 0 CA-C-O 116.464 -1.731 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.2 83.65 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 127.48 2.312 . . . . 0.0 112.507 179.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.9 m170 -121.62 161.0 23.22 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 123.981 0.913 . . . . 0.0 109.395 -173.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.01 94.31 2.8 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.505 0.722 . . . . 0.0 109.38 -163.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.7 mt -83.82 102.28 9.58 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.258 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 175.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 tt -66.68 108.92 2.64 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 120.954 -1.091 . . . . 0.0 108.934 170.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.2 t -117.37 -175.84 2.89 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 127.675 2.39 . . . . 0.0 107.4 176.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.4 m -109.7 159.55 9.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 158.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.7 t -66.88 138.33 57.22 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 164.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.1 t -49.32 -45.71 45.77 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.384 0.674 . . . . 0.0 112.321 173.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.28 -18.33 8.64 Favored 'General case' 0 C--O 1.226 -0.139 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -161.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 m -81.8 -18.87 42.53 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 118.44 -0.791 . . . . 0.0 111.173 163.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.3 t0 40.99 52.48 3.32 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 126.029 1.732 . . . . 0.0 110.869 -166.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.71 151.4 20.37 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 125.01 1.29 . . . . 0.0 110.308 -172.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -59.56 119.45 7.56 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 127.234 2.214 . . . . 0.0 109.329 -171.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 32.1 mt -123.34 119.63 58.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 167.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -77.56 88.47 3.88 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.064 1.346 . . . . 0.0 108.49 167.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.9 mt -67.58 97.13 0.58 Allowed 'General case' 0 C--O 1.235 0.319 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -173.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.5 m -85.47 94.2 8.94 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 -176.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 m -114.81 141.74 30.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 105.212 -2.144 . . . . 0.0 105.212 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -109.79 88.7 2.81 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 103.314 -2.847 . . . . 0.0 103.314 -166.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.2 m -146.4 153.8 40.89 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.359 -158.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.0 m -68.16 159.29 31.34 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 120.459 1.482 . . . . 0.0 109.209 176.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.19 -47.94 83.85 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.705 1.139 . . . . 0.0 112.046 -175.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -78.73 -24.48 44.83 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.064 0.459 . . . . 0.0 111.727 -176.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -70.84 -40.86 72.14 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.105 0.962 . . . . 0.0 109.446 171.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.432 ' HA ' HD23 ' A' ' 37' ' ' LEU . 3.4 tt -60.45 -43.48 96.83 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 124.972 1.309 . . . . 0.0 109.888 171.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -58.46 -53.54 57.19 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 175.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.0 m -53.55 -53.25 54.28 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 125.526 1.531 . . . . 0.0 110.258 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -64.97 -30.59 71.59 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.738 -0.601 . . . . 0.0 110.766 179.528 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -70.58 -27.27 63.98 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 120.88 -1.137 . . . . 0.0 110.882 172.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -67.36 -35.65 79.79 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 120.305 1.411 . . . . 0.0 110.119 169.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.1 mt -58.09 -47.66 82.53 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 118.832 0.742 . . . . 0.0 110.053 168.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -57.19 -45.77 83.46 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.093 0.406 . . . . 0.0 111.265 173.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.74 -32.83 69.6 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.976 1.31 . . . . 0.0 111.911 175.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.9 t -72.25 -65.88 0.72 Allowed 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.32 1.048 . . . . 0.0 109.898 176.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.3 p -147.74 -24.82 0.37 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 -175.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.84 153.94 40.83 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -160.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 p -140.29 175.18 9.8 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 125.599 1.56 . . . . 0.0 109.552 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -128.62 153.44 47.26 Favored 'General case' 0 C--O 1.238 0.46 0 O-C-N 121.331 -0.856 . . . . 0.0 109.033 175.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.1 t -141.8 99.16 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.197 0 N-CA-C 106.129 -1.804 . . . . 0.0 106.129 -169.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 p -58.08 150.63 50.14 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-O 118.628 -0.701 . . . . 0.0 110.926 -173.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.21 -27.09 79.25 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 121.799 1.666 . . . . 0.0 113.073 -178.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 29.4 t90 -56.64 -63.07 1.32 Allowed 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.489 1.516 . . . . 0.0 110.875 171.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.8 p -70.63 -24.41 62.71 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 119.021 0.828 . . . . 0.0 112.326 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.04 -35.38 80.98 Favored 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 119.182 -1.007 . . . . 0.0 110.04 178.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.7 m -79.19 -51.44 9.49 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.65 1.58 . . . . 0.0 110.988 177.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 . . . . . 0 N--CA 1.47 0.553 0 N-CA-C 113.04 0.755 . . . . 0.0 113.04 -166.822 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo . . . . . 0 N--CA 1.455 -0.788 0 N-CA-C 108.75 -1.288 . . . . 0.0 108.75 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -142.47 -64.22 0.42 Allowed 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -58.44 91.19 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.885 1.274 . . . . 0.0 110.756 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 56.0 m170 -124.36 163.37 21.87 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 125.433 1.493 . . . . 0.0 109.485 -170.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -138.69 93.06 2.68 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 121.982 -0.449 . . . . 0.0 110.243 -158.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 41.3 mt -83.23 101.71 8.25 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 177.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 5.7 tt -69.45 105.56 2.66 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 120.65 -1.282 . . . . 0.0 109.153 172.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 28.5 t -117.72 -173.11 2.37 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 128.175 2.59 . . . . 0.0 107.595 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 25.5 m -114.62 160.44 14.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 159.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' B' ' 52' ' ' CYS . 45.0 t -68.68 135.69 51.75 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 165.117 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 9.2 t -56.97 -37.5 71.67 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 178.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.02 -20.8 8.57 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -166.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 5.9 m -85.02 -16.42 40.81 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 118.347 -0.835 . . . . 0.0 111.622 166.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 30.4 t0 42.21 50.69 4.5 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 126.084 1.753 . . . . 0.0 111.283 -170.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.86 149.03 18.68 Favored Glycine 0 C--N 1.337 0.612 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -176.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.19 112.58 1.41 Allowed 'General case' 0 C--O 1.232 0.136 0 C-N-CA 127.675 2.39 . . . . 0.0 108.894 -175.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 14.9 mt -112.14 115.32 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 166.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -75.93 87.98 2.9 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 125.004 1.321 . . . . 0.0 108.231 164.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 80.4 mt -70.44 93.85 0.91 Allowed 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.233 1.013 . . . . 0.0 109.527 -171.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 16.4 m -75.68 98.19 4.01 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 173.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 17.5 m -112.52 142.07 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 N-CA-C 104.363 -2.458 . . . . 0.0 104.363 172.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -104.39 91.61 3.98 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 103.831 -2.655 . . . . 0.0 103.831 -170.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.3 m -153.2 133.44 13.47 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 124.709 1.204 . . . . 0.0 111.447 -158.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 14.2 m -57.51 149.4 21.22 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.698 0.799 . . . . 0.0 110.365 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.3 -41.94 72.99 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.455 1.025 . . . . 0.0 113.435 -168.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -80.97 -22.28 39.66 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 121.679 -0.638 . . . . 0.0 112.636 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -74.28 -40.17 62.48 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 123.398 0.679 . . . . 0.0 109.207 173.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' B' ' 37' ' ' LEU . 3.3 tt -58.28 -45.12 88.47 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 125.553 1.541 . . . . 0.0 109.472 169.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -58.6 -53.93 52.75 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 176.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 62.0 m -52.92 -52.86 56.29 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.578 1.551 . . . . 0.0 110.21 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.2 OUTLIER -65.09 -31.81 73.21 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.708 -0.62 . . . . 0.0 110.61 179.377 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -69.77 -25.19 63.69 Favored 'General case' 0 CA--C 1.546 0.788 0 O-C-N 120.317 -1.489 . . . . 0.0 110.912 172.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -69.88 -35.23 74.5 Favored 'General case' 0 C--N 1.345 0.376 0 CA-C-N 119.854 1.206 . . . . 0.0 109.851 169.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 14.9 mt -57.4 -44.41 84.53 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.781 0.719 . . . . 0.0 110.239 167.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -60.55 -47.4 86.33 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 118.319 0.509 . . . . 0.0 110.825 176.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 16.6 mt -60.11 -30.85 69.54 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.707 0.803 . . . . 0.0 112.328 175.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 18.3 t -69.63 -65.22 0.74 Allowed 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.877 0.871 . . . . 0.0 109.743 174.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 65.6 p -150.3 -23.47 0.24 Allowed 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -176.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.73 152.7 42.55 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -159.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.1 p -138.07 173.28 11.79 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.165 1.786 . . . . 0.0 109.346 178.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -131.69 153.65 49.79 Favored 'General case' 0 C--O 1.237 0.431 0 O-C-N 121.188 -0.945 . . . . 0.0 109.22 178.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 13.0 t -139.51 96.47 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.062 0 C-N-CA 126.334 1.853 . . . . 0.0 106.158 -169.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 3.4 p -57.4 154.79 21.54 Favored Pre-proline 0 CA--C 1.539 0.524 0 C-N-CA 124.669 1.188 . . . . 0.0 111.118 -174.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . 0.445 ' HA ' ' HB3' ' B' ' 53' ' ' ALA . 18.3 Cg_endo -58.9 -24.19 71.38 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 122.393 2.062 . . . . 0.0 113.887 -175.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 26.1 t90 -57.51 -65.24 0.66 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.421 1.488 . . . . 0.0 110.44 171.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 14.0 p -70.21 -23.05 62.88 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 119.11 0.868 . . . . 0.0 112.523 175.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.445 ' HB3' ' HA ' ' B' ' 50' ' ' PRO . . . -60.67 -39.9 90.1 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 118.259 -1.376 . . . . 0.0 109.675 177.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 24.2 m -71.57 -54.38 10.67 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 127.28 2.232 . . . . 0.0 111.235 173.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -87.26 -12.55 46.33 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -166.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 . . . . . 0 C--O 1.249 1.042 0 C-N-CA 127.218 2.207 . . . . 0.0 109.937 -166.326 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 . . . . . 0 N--CA 1.448 -0.553 0 N-CA-C 107.906 -1.146 . . . . 0.0 107.906 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.53 90.04 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 126.289 1.836 . . . . 0.0 111.253 -178.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 44.4 m170 -120.8 165.59 14.93 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 124.319 1.048 . . . . 0.0 109.912 -173.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.36 96.94 3.46 Favored 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 123.739 0.816 . . . . 0.0 109.172 -163.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.9 mt -85.89 101.39 10.17 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.242 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 173.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tt -67.67 113.82 5.77 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 120.889 -1.132 . . . . 0.0 108.634 172.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.7 t -125.04 -175.59 3.33 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 127.039 2.136 . . . . 0.0 107.697 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.3 m -113.43 158.5 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 159.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 14.7 t -72.09 129.72 39.19 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 168.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.3 t -57.38 -35.83 70.49 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -173.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -105.91 -11.14 16.3 Favored 'General case' 0 C--N 1.339 0.115 0 C-N-CA 124.731 1.213 . . . . 0.0 113.351 -170.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.0 m -105.03 -19.34 13.86 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.736 0.814 . . . . 0.0 112.631 173.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.6 t0 48.22 31.79 2.78 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.864 1.666 . . . . 0.0 111.985 -164.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.62 145.4 15.97 Favored Glycine 0 C--N 1.34 0.799 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 -175.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -60.99 113.71 2.69 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 126.75 2.02 . . . . 0.0 109.057 -174.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.4 mt -114.82 118.34 58.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 168.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -78.15 89.51 4.25 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 164.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.6 mt -68.65 95.58 0.66 Allowed 'General case' 0 C--N 1.344 0.341 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -171.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.4 m -80.23 101.82 9.1 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 177.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 m -118.18 134.36 62.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 104.521 -2.4 . . . . 0.0 104.521 177.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -98.92 88.52 4.02 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 102.916 -2.994 . . . . 0.0 102.916 -168.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.5 m -148.18 130.3 15.45 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 120.883 -1.136 . . . . 0.0 110.956 -158.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.5 m -60.32 143.43 52.95 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -174.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.31 -36.24 41.7 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -162.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -99.06 -14.31 19.48 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -176.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -71.24 -39.64 71.54 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 124.514 1.126 . . . . 0.0 108.357 162.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.547 ' HA ' HD23 ' A' ' 37' ' ' LEU . 4.2 tt -61.15 -46.51 90.26 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 125.66 1.584 . . . . 0.0 110.149 169.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -56.15 -50.67 70.5 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 123.981 0.912 . . . . 0.0 108.648 175.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.6 m -56.21 -52.32 64.85 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.164 0.986 . . . . 0.0 110.08 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.547 HD23 ' HA ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -63.16 -30.28 71.46 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.834 -0.541 . . . . 0.0 111.02 178.221 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -71.01 -28.04 64.12 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 120.343 -1.473 . . . . 0.0 111.0 173.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -68.1 -36.17 79.36 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 119.697 1.135 . . . . 0.0 109.381 170.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.1 mt -56.83 -46.14 81.87 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 118.578 0.626 . . . . 0.0 110.442 166.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -60.14 -43.4 95.72 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.325 0.966 . . . . 0.0 111.433 177.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.5 mt -64.6 -28.87 69.92 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.841 0.856 . . . . 0.0 112.259 176.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.5 t -82.63 -57.18 3.44 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.626 1.17 . . . . 0.0 111.625 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 p -146.26 -24.55 0.44 Allowed 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.94 1.696 . . . . 0.0 115.478 -158.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.33 152.21 20.2 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 -158.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 p -138.74 173.84 11.15 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.46 1.904 . . . . 0.0 109.286 175.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -129.62 154.0 47.53 Favored 'General case' 0 C--O 1.238 0.48 0 O-C-N 121.108 -0.995 . . . . 0.0 109.145 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . 0.257 2.1 t -138.23 102.33 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 C-N-CA 125.508 1.523 . . . . 0.0 108.44 -175.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.4 p -57.03 145.82 63.21 Favored Pre-proline 0 CA--C 1.54 0.594 0 C-N-CA 124.353 1.061 . . . . 0.0 111.263 -174.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -61.7 -26.45 79.98 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 121.812 1.675 . . . . 0.0 113.515 -172.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 28.3 t90 -58.21 -62.5 1.79 Allowed 'General case' 0 C--O 1.235 0.31 0 C-N-CA 124.292 1.037 . . . . 0.0 110.317 171.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 4.3 p -68.68 -23.33 64.38 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 118.885 -0.579 . . . . 0.0 111.755 -176.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.55 -47.05 64.95 Favored 'General case' 0 N--CA 1.438 -1.043 0 O-C-N 123.904 0.752 . . . . 0.0 109.577 176.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.4 m -62.87 -43.91 97.54 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.42 1.088 . . . . 0.0 110.038 178.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 . . . . . 0 C--N 1.34 0.185 0 CA-C-O 118.872 -0.585 . . . . 0.0 111.903 -177.9 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo . . . . . 0 N--CA 1.453 -0.883 0 N-CA-C 108.504 -1.383 . . . . 0.0 108.504 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 74.54 -66.98 0.27 Allowed 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 126.453 1.901 . . . . 0.0 107.706 176.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -58.19 82.96 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.823 2.449 . . . . 0.0 112.805 -177.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -117.69 166.74 12.06 Favored 'General case' 0 CA--C 1.529 0.15 0 O-C-N 121.333 -0.854 . . . . 0.0 109.538 -174.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -137.22 93.78 2.86 Favored 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 123.559 0.744 . . . . 0.0 109.131 -158.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 27.0 mt -85.29 101.6 9.96 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.187 0 N-CA-C 105.919 -1.882 . . . . 0.0 105.919 173.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 tt -65.86 114.27 4.97 Favored 'General case' 0 N--CA 1.448 -0.533 0 O-C-N 121.006 -1.059 . . . . 0.0 108.21 170.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 17.5 t -119.71 -176.1 3.1 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 126.41 1.884 . . . . 0.0 107.76 172.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -111.61 159.08 11.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 159.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 17.0 t -69.56 127.46 33.06 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 167.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 7.1 t -53.46 -34.91 59.71 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.633 0.773 . . . . 0.0 112.799 -174.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 4.6 ptpt -106.07 -22.01 12.99 Favored 'General case' 0 C--N 1.341 0.205 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -174.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.0 m -94.12 -17.5 22.74 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 118.758 0.708 . . . . 0.0 111.228 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 27.5 t0 46.76 36.13 3.61 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.108 1.763 . . . . 0.0 111.435 -166.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -110.01 146.02 17.1 Favored Glycine 0 C--N 1.34 0.785 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -176.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -60.08 117.31 4.96 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 126.136 1.774 . . . . 0.0 108.78 -174.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 15.9 mt -117.0 121.75 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 167.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -76.46 94.7 3.71 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 162.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 40.1 mt -72.52 93.78 1.61 Allowed 'General case' 0 C--O 1.235 0.309 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 8.2 m -81.74 93.5 6.82 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 178.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 10.7 m -109.53 128.47 65.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 104.161 -2.533 . . . . 0.0 104.161 -177.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -94.54 80.15 3.85 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 -169.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -145.57 123.65 12.13 Favored 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 125.473 1.509 . . . . 0.0 109.712 -158.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.6 m -57.83 147.53 28.08 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 125.171 1.388 . . . . 0.0 109.094 -171.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.91 -38.5 36.31 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 -162.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -98.83 -12.4 20.87 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -176.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -72.58 -40.58 66.48 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 125.451 1.5 . . . . 0.0 108.476 163.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' B' ' 37' ' ' LEU . 1.3 tt -60.93 -46.12 91.98 Favored 'General case' 0 C--N 1.343 0.32 0 C-N-CA 125.99 1.716 . . . . 0.0 109.623 169.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -59.09 -50.31 74.55 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 124.021 0.928 . . . . 0.0 108.615 177.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 75.6 m -55.67 -51.02 68.68 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 122.95 0.5 . . . . 0.0 109.754 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.2 OUTLIER -66.3 -28.26 68.55 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 121.78 -0.575 . . . . 0.0 111.839 178.826 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -66.96 -34.09 77.0 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 120.211 -1.556 . . . . 0.0 109.678 170.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -67.14 -35.72 80.31 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 119.536 1.062 . . . . 0.0 109.581 173.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 32.5 mt -57.14 -44.55 83.48 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 118.647 0.658 . . . . 0.0 110.593 168.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -61.95 -44.17 97.32 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.325 0.966 . . . . 0.0 111.382 177.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 38.1 mt -64.16 -28.51 69.81 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.639 0.775 . . . . 0.0 111.983 176.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 11.2 t -81.2 -63.2 1.45 Allowed 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.837 1.655 . . . . 0.0 112.298 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.41 -19.62 0.69 Allowed 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 116.192 1.923 . . . . 0.0 116.192 -158.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 mp -105.25 154.32 20.39 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 115.219 1.563 . . . . 0.0 115.219 -160.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.8 p -142.96 175.9 9.49 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.356 1.862 . . . . 0.0 109.42 178.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -133.46 153.88 51.26 Favored 'General case' 0 C--O 1.237 0.404 0 O-C-N 120.914 -1.116 . . . . 0.0 109.273 178.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 2.3 t -139.44 102.83 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.046 0 C-N-CA 125.968 1.707 . . . . 0.0 107.104 -173.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 4.3 p -56.67 146.66 55.35 Favored Pre-proline 0 N--CA 1.473 0.693 0 C-N-CA 124.62 1.168 . . . . 0.0 111.006 -173.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -59.59 -27.77 85.78 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 121.924 1.749 . . . . 0.0 114.002 -172.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -57.22 -65.14 0.67 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.581 1.152 . . . . 0.0 110.17 170.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 10.8 p -66.55 -26.81 67.3 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 118.585 0.629 . . . . 0.0 111.361 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.89 -39.76 90.49 Favored 'General case' 0 N--CA 1.438 -1.059 0 O-C-N 121.734 -0.604 . . . . 0.0 109.63 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 21.7 m -76.76 -47.38 21.89 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.802 1.641 . . . . 0.0 111.258 176.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.425 HD22 ' N ' ' B' ' 55' ' ' ASN . 0.9 OUTLIER -78.58 -15.83 58.1 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.15 0.98 . . . . 0.0 113.466 -169.736 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.246 0.908 0 C-N-CA 127.666 2.386 . . . . 0.0 109.321 -163.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 . . . . . 0 N--CA 1.439 -1.011 0 CA-C-O 117.683 -1.151 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.09 83.59 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 127.933 2.493 . . . . 0.0 112.981 -177.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.9 m170 -121.93 165.78 15.44 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.997 1.319 . . . . 0.0 109.885 -171.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.24 102.57 4.53 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 123.617 0.767 . . . . 0.0 109.314 -166.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.5 mt -89.31 100.17 10.39 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.239 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 173.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 tt -68.11 114.54 6.71 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 120.73 -1.231 . . . . 0.0 109.02 171.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.0 t -126.79 -170.52 2.22 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.664 1.586 . . . . 0.0 109.188 173.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.6 m -125.43 155.79 34.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 C-N-CA 123.7 0.8 . . . . 0.0 109.849 172.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.486 ' SG ' ' HA ' ' A' ' 48' ' ' VAL . 9.1 t -78.92 123.36 27.19 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 125.001 1.32 . . . . 0.0 109.304 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.6 t -67.41 -28.28 67.78 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.678 1.126 . . . . 0.0 112.61 -172.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.25 -16.92 28.41 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-N 119.035 0.834 . . . . 0.0 111.67 -172.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.476 ' HG ' ' HG ' ' A' ' 16' ' ' CYS . 16.8 p -140.98 2.52 1.74 Allowed 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 -172.007 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.8 t0 51.06 25.8 2.48 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 127.709 2.404 . . . . 0.0 113.621 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.37 146.05 31.25 Favored Glycine 0 C--N 1.339 0.727 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -66.49 120.23 13.03 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 125.384 1.473 . . . . 0.0 108.7 176.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.5 mt -123.38 112.12 32.19 Favored 'Isoleucine or valine' 0 C--N 1.341 0.209 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 175.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -80.0 86.98 5.43 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 168.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.6 mt -68.42 96.07 0.66 Allowed 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -171.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.0 m -84.03 103.71 13.49 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 -178.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.467 HG12 ' CZ ' ' B' ' 47' ' ' PHE . 3.3 m -119.33 148.82 22.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 105.682 -1.97 . . . . 0.0 105.682 178.176 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -120.99 82.21 1.89 Allowed 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 -161.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 t -155.66 169.02 25.29 Favored 'General case' 0 C--N 1.345 0.381 0 C-N-CA 123.118 0.567 . . . . 0.0 112.261 -170.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.4 m -62.39 150.95 38.33 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.117 0.567 . . . . 0.0 109.834 175.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.12 -44.6 87.82 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -171.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -69.52 -31.73 70.15 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -69.19 -47.25 65.41 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.544 1.138 . . . . 0.0 108.847 176.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.62 -42.6 67.9 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 126.909 2.084 . . . . 0.0 111.661 170.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -71.88 -45.5 61.06 Favored 'General case' 0 CA--C 1.507 -0.684 0 C-N-CA 126.814 2.045 . . . . 0.0 108.55 -175.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.5 m -55.39 -49.85 71.26 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 173.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.5 -40.07 68.17 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.727 1.211 . . . . 0.0 111.878 171.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -65.33 -35.03 79.73 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 120.78 -1.2 . . . . 0.0 109.48 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -69.54 -31.74 70.13 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 119.71 1.141 . . . . 0.0 110.735 175.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.6 mt -58.69 -49.63 76.85 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 119.164 0.893 . . . . 0.0 109.838 168.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.09 -42.54 94.86 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 122.635 0.374 . . . . 0.0 111.362 177.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.87 -38.5 85.81 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.004 1.322 . . . . 0.0 110.599 175.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.6 t -67.18 -62.44 1.43 Allowed 'General case' 0 C--N 1.342 0.24 0 C-N-CA 123.85 0.86 . . . . 0.0 110.443 177.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.3 p -151.78 -30.08 0.17 Allowed 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.834 1.254 . . . . 0.0 114.361 -167.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mp -76.24 151.61 36.77 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -162.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.9 p -146.3 172.59 13.25 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 122.43 1.109 . . . . 0.0 110.896 170.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.447 ' CD2' HG12 ' B' ' 27' ' ' VAL . 16.5 t80 -118.77 151.57 37.79 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 106.093 -1.817 . . . . 0.0 106.093 -178.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.523 ' HB ' ' SG ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -119.49 108.06 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 O-C-N 124.081 0.863 . . . . 0.0 108.913 169.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.5 p -52.42 147.51 14.05 Favored Pre-proline 0 CA--C 1.535 0.371 0 C-N-CA 125.087 1.355 . . . . 0.0 110.363 -175.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -58.59 -28.44 85.92 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 121.699 1.599 . . . . 0.0 112.932 -176.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -53.4 -61.44 2.3 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.225 1.01 . . . . 0.0 110.605 166.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.523 ' SG ' ' HB ' ' A' ' 48' ' ' VAL . 0.5 OUTLIER -68.41 -30.76 69.74 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 118.897 -0.573 . . . . 0.0 111.558 -175.45 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.74 -33.89 76.63 Favored 'General case' 0 N--CA 1.446 -0.667 0 O-C-N 123.64 0.587 . . . . 0.0 110.839 176.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.1 m -77.11 -43.59 33.58 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.054 0.942 . . . . 0.0 110.816 176.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.4 m120 . . . . . 0 N--CA 1.473 0.708 0 CA-C-N 118.448 0.567 . . . . 0.0 111.357 179.479 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo . . . . . 0 CA--C 1.538 0.686 0 CA-C-O 121.72 0.633 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -130.31 -76.75 0.54 Allowed 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 125.788 1.635 . . . . 0.0 108.249 -175.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -55.16 92.55 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.879 2.072 . . . . 0.0 111.474 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -120.2 168.55 11.11 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.392 1.077 . . . . 0.0 110.341 -174.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -136.53 87.43 2.29 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 124.39 1.076 . . . . 0.0 108.66 -163.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 27.9 mt -82.64 100.07 6.06 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 177.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 tt -68.72 110.72 4.44 Favored 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 121.137 -0.977 . . . . 0.0 108.906 173.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 89.0 m -120.43 -172.65 2.41 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.906 1.282 . . . . 0.0 109.089 170.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -115.0 152.94 16.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 164.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 44.0 t -67.14 130.36 42.85 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 170.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 10.0 t -52.77 -33.18 47.36 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.939 0.896 . . . . 0.0 113.315 -177.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.71 -18.41 8.99 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -170.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 m -90.14 -19.01 24.77 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 118.549 -0.738 . . . . 0.0 111.597 168.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 26.9 t0 46.08 37.68 4.06 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.958 1.703 . . . . 0.0 111.488 -166.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -112.96 147.21 18.48 Favored Glycine 0 C--N 1.339 0.728 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 -176.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -61.18 111.59 1.78 Allowed 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 127.321 2.249 . . . . 0.0 109.714 -173.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 34.0 mt -107.99 116.62 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 169.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -80.09 88.45 5.4 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 165.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.4 mt -65.88 99.31 0.47 Allowed 'General case' 0 C--N 1.342 0.262 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -174.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.435 HG22 HG23 ' A' ' 48' ' ' VAL 0.256 1.2 m -86.69 88.13 7.6 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 -173.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.447 HG12 ' CD2' ' A' ' 47' ' ' PHE . 6.5 m -116.56 113.05 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 -172.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -69.54 97.58 1.04 Allowed 'General case' 0 C--O 1.233 0.226 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 170.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.0 m -160.25 117.54 2.51 Favored 'General case' 0 N--CA 1.435 -1.217 0 O-C-N 120.779 -1.201 . . . . 0.0 110.305 -159.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 11.2 m -61.99 140.01 58.37 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 124.874 1.27 . . . . 0.0 108.055 -170.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.75 -44.06 27.75 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -165.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -80.85 -28.16 36.17 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 122.02 0.914 . . . . 0.0 111.873 -172.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -73.02 -42.98 62.62 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 125.014 1.326 . . . . 0.0 108.956 172.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.434 ' HA ' HD23 ' B' ' 37' ' ' LEU . 0.3 OUTLIER -57.67 -39.13 76.4 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 125.733 1.613 . . . . 0.0 111.034 172.225 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -68.0 -46.05 72.38 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 126.337 1.855 . . . . 0.0 108.727 177.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 33.8 m -56.61 -47.87 78.71 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 173.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -55.69 -39.84 71.56 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.572 1.549 . . . . 0.0 111.23 170.725 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -66.15 -31.13 71.8 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.513 -1.367 . . . . 0.0 109.495 177.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -72.45 -34.06 67.49 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 121.104 -0.998 . . . . 0.0 110.296 173.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 64.5 mt -61.06 -35.24 76.42 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.711 1.141 . . . . 0.0 110.59 167.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.65 -50.11 73.84 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 124.665 1.186 . . . . 0.0 109.871 175.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 58.0 mt -65.09 -31.68 73.01 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.006 0.922 . . . . 0.0 112.197 175.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 12.1 t -63.93 -55.26 23.88 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 125.34 1.456 . . . . 0.0 110.225 176.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 18.6 m -165.35 -31.16 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.145 0.978 . . . . 0.0 113.004 -175.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.3 tt -66.25 108.05 2.17 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 119.555 1.07 . . . . 0.0 112.17 -163.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.6 p -87.3 172.78 9.61 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 122.32 1.057 . . . . 0.0 108.291 160.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . 0.467 ' CZ ' HG12 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -131.21 147.62 52.62 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 124.103 0.961 . . . . 0.0 109.443 -177.119 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 10.5 t -142.44 102.09 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.93 0 C-N-CA 126.231 1.812 . . . . 0.0 106.794 -165.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 5.2 p -59.62 152.5 56.35 Favored Pre-proline 0 CA--C 1.54 0.567 0 C-N-CA 124.258 1.023 . . . . 0.0 110.996 -176.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -60.54 -25.76 81.36 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 122.471 2.114 . . . . 0.0 113.534 -173.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 21.9 t90 -57.06 -65.15 0.67 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.754 1.622 . . . . 0.0 110.085 172.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 30.4 p -70.45 -23.86 62.79 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 118.516 0.598 . . . . 0.0 111.966 177.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.35 94.27 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 119.262 -0.975 . . . . 0.0 109.181 178.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 23.2 m -73.91 -52.32 13.3 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.175 2.19 . . . . 0.0 111.374 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -102.72 -14.71 16.56 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -163.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 C--O 1.252 1.191 0 CA-C-O 115.246 -2.311 . . . . 0.0 110.438 -159.075 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 . . . . . 0 N--CA 1.451 -0.421 0 CA-C-O 118.536 -0.745 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -57.31 92.07 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.98 1.712 . . . . 0.0 110.505 178.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -126.09 144.4 50.74 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 124.475 1.11 . . . . 0.0 109.694 -168.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -125.35 89.9 3.13 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.356 0.663 . . . . 0.0 109.97 -158.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.0 mt -83.79 104.56 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 106.412 -1.699 . . . . 0.0 106.412 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.8 tt -65.91 113.33 4.31 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 120.815 -1.178 . . . . 0.0 108.674 168.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.3 t -117.49 -175.94 2.92 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.999 1.72 . . . . 0.0 108.729 172.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.3 m -118.87 162.45 16.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 C-N-CA 123.882 0.873 . . . . 0.0 108.933 161.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.463 ' HG ' ' HG ' ' A' ' 52' ' ' CYS . 14.7 t -88.45 113.65 24.26 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 125.038 1.335 . . . . 0.0 109.29 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -78.31 6.24 8.73 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -171.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.67 -21.75 12.55 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 170.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.45 ' HG ' ' HG ' ' A' ' 16' ' ' CYS . 13.4 p -136.29 4.28 2.91 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -173.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.9 t0 46.11 41.91 9.1 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 127.885 2.474 . . . . 0.0 113.236 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.75 148.65 19.06 Favored Glycine 0 C--N 1.338 0.645 0 N-CA-C 109.082 -1.607 . . . . 0.0 109.082 171.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -64.53 131.32 46.73 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 169.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.1 mt -127.63 119.77 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 171.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -77.69 109.91 12.09 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 159.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.4 mt -87.95 94.38 9.76 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.096 0.958 . . . . 0.0 108.919 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.0 m -74.73 115.41 14.28 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 165.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.412 HG12 ' CE2' ' B' ' 47' ' ' PHE . 3.7 m -126.0 137.82 56.51 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 103.666 -2.716 . . . . 0.0 103.666 170.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -100.52 96.28 7.28 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 104.449 -2.426 . . . . 0.0 104.449 -168.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.1 m -153.0 132.69 13.1 Favored 'General case' 0 N--CA 1.444 -0.764 0 O-C-N 120.991 -1.068 . . . . 0.0 112.39 -158.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.5 m -59.58 142.88 51.8 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.531 0.732 . . . . 0.0 109.114 176.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.21 -35.69 60.17 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 -163.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -100.44 -15.89 17.77 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -174.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -68.65 -41.03 79.95 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 160.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.585 ' HA ' HD23 ' A' ' 37' ' ' LEU . 6.5 tt -61.81 -45.26 94.62 Favored 'General case' 0 C--N 1.345 0.37 0 C-N-CA 125.004 1.321 . . . . 0.0 110.439 172.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -56.68 -49.23 75.73 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.023 1.329 . . . . 0.0 108.768 175.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.4 m -56.81 -52.22 65.91 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 123.351 0.66 . . . . 0.0 109.887 177.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.585 HD23 ' HA ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -59.93 -31.61 70.01 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-O 121.183 0.516 . . . . 0.0 111.015 176.184 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -72.74 -25.68 61.29 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 120.18 -1.575 . . . . 0.0 111.058 175.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -71.48 -32.76 68.64 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 119.947 1.248 . . . . 0.0 109.664 170.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.7 mt -55.43 -50.02 70.91 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.308 0.504 . . . . 0.0 110.68 163.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -57.88 -42.91 85.57 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 118.361 0.528 . . . . 0.0 111.411 177.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 tt -61.03 -30.59 70.4 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.855 1.262 . . . . 0.0 112.024 174.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.3 t -70.79 -70.3 0.31 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.024 0.829 . . . . 0.0 110.413 175.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.9 p -145.0 -14.67 0.52 Allowed 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.443 HD11 ' OD2' ' B' ' 33' ' ' ASP . 5.8 mp -76.86 147.04 37.34 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 121.829 0.823 . . . . 0.0 112.857 -158.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.6 p -145.7 176.59 9.52 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 124.785 1.234 . . . . 0.0 109.229 172.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -117.91 156.06 29.11 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 -178.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.713 HG23 HG22 ' B' ' 26' ' ' THR . 1.9 m -126.73 102.5 9.68 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.305 0 C-N-CA 124.372 1.069 . . . . 0.0 108.287 173.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.5 p -48.31 149.24 2.79 Favored Pre-proline 0 CA--C 1.536 0.432 0 C-N-CA 127.749 2.42 . . . . 0.0 111.078 -175.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -57.38 -27.71 76.96 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.604 2.203 . . . . 0.0 114.241 -173.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -53.5 -60.72 2.94 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.435 1.094 . . . . 0.0 110.569 166.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.597 ' SG ' ' HB ' ' A' ' 48' ' ' VAL . 0.5 OUTLIER -76.86 -19.56 57.34 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.875 0.87 . . . . 0.0 111.685 -175.371 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.47 -50.81 72.07 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 168.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 20.4 m -71.43 -48.26 50.7 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.334 1.853 . . . . 0.0 111.63 -177.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.474 0.73 0 C-N-CA 123.14 0.576 . . . . 0.0 110.879 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo . . . . . 0 CA--C 1.542 0.898 0 N-CA-C 109.72 -0.915 . . . . 0.0 109.72 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -143.48 -70.65 0.31 Allowed 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 117.526 -1.226 . . . . 0.0 109.668 -167.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -53.7 90.38 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.862 1.664 . . . . 0.0 112.317 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 54.5 m170 -126.29 176.39 7.13 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 126.088 1.755 . . . . 0.0 110.739 -168.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.515 ' HG3' HG23 ' B' ' 26' ' ' THR . 0.0 OUTLIER -143.16 103.5 4.15 Favored 'General case' 0 C--N 1.34 0.187 0 C-N-CA 124.404 1.082 . . . . 0.0 110.041 -164.466 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 56.3 mt -90.09 101.93 12.74 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.286 0 N-CA-C 106.708 -1.589 . . . . 0.0 106.708 168.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 tt -68.4 118.36 11.37 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 120.532 -1.355 . . . . 0.0 108.972 172.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 14.9 t -124.46 -177.25 3.74 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 127.082 2.153 . . . . 0.0 108.183 174.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.3 m -114.85 160.9 13.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 159.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' CYS . . . . . 0.415 ' SG ' ' SG ' ' B' ' 52' ' ' CYS . 20.9 t -72.15 131.98 43.53 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 123.598 0.759 . . . . 0.0 109.235 170.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 9.2 t -55.18 -37.48 67.1 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.66 1.184 . . . . 0.0 112.217 -177.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -107.59 -16.81 14.26 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -173.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.0 m -101.67 -17.72 16.18 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 119.112 0.869 . . . . 0.0 112.104 178.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 25.3 t0 49.59 27.46 2.14 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.706 1.602 . . . . 0.0 111.978 -165.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.54 145.0 17.64 Favored Glycine 0 C--N 1.339 0.726 0 N-CA-C 109.384 -1.486 . . . . 0.0 109.384 -175.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -62.23 113.96 3.18 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 126.418 1.887 . . . . 0.0 109.074 -175.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 10.7 mt -117.28 114.44 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 171.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -75.98 92.32 3.13 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 166.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.6 mt -70.29 96.8 1.15 Allowed 'General case' 0 C--N 1.343 0.313 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 -174.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' THR . . . . . 0.713 HG22 HG23 ' A' ' 48' ' ' VAL 0.262 10.3 m -90.39 98.77 11.97 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 105.285 -2.117 . . . . 0.0 105.285 -169.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 19.8 m -121.97 118.43 55.53 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 C-N-CA 126.625 1.97 . . . . 0.0 105.687 -171.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.14 102.91 2.18 Favored 'General case' 0 C--O 1.231 0.106 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 169.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 71.1 m -160.39 135.59 7.93 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 124.349 1.06 . . . . 0.0 109.858 -160.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 21.1 m -71.45 143.76 49.97 Favored 'General case' 0 C--O 1.223 -0.323 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -177.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.66 -39.42 36.3 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 -164.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -98.36 -12.84 21.05 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -174.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' ASP . . . . . 0.443 ' OD2' HD11 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -72.8 -36.9 67.68 Favored 'General case' 0 N--CA 1.442 -0.87 0 O-C-N 121.491 -0.755 . . . . 0.0 109.312 159.506 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.438 ' HA ' HD23 ' B' ' 37' ' ' LEU . 1.0 OUTLIER -64.03 -41.83 97.29 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 125.027 1.331 . . . . 0.0 109.309 172.514 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -57.55 -51.7 68.39 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 124.585 1.154 . . . . 0.0 108.121 170.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 66.8 m -58.49 -48.62 80.18 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.321 0.51 . . . . 0.0 110.548 -179.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.2 OUTLIER -68.78 -25.47 64.72 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.192 0.906 . . . . 0.0 111.502 178.889 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -67.02 -38.37 85.81 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.173 -0.954 . . . . 0.0 109.274 168.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -66.87 -30.25 70.37 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.652 173.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 48.8 mt -60.88 -49.1 78.81 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-N 119.696 1.134 . . . . 0.0 109.922 168.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -57.0 -41.09 77.82 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.587 1.085 . . . . 0.0 111.438 174.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 9.7 tt -65.01 -37.96 89.35 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.087 0.955 . . . . 0.0 111.884 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 8.8 t -73.66 -61.77 1.72 Allowed 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 126.922 2.089 . . . . 0.0 111.864 -178.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.65 -35.21 0.46 Allowed 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 125.116 1.366 . . . . 0.0 114.43 -158.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mp -91.36 160.89 15.25 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -160.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.5 p -140.82 175.68 9.42 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 125.449 1.499 . . . . 0.0 109.095 174.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' PHE . . . . . 0.412 ' CE2' HG12 ' A' ' 27' ' ' VAL . 5.0 t80 -129.78 148.11 51.62 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 121.158 -0.964 . . . . 0.0 109.503 177.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 2.3 t -141.89 107.76 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.131 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 -174.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 1.6 p -57.32 141.44 77.66 Favored Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 123.946 0.899 . . . . 0.0 109.928 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -62.74 -24.75 74.74 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 121.369 1.379 . . . . 0.0 113.465 -171.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -54.09 -66.69 0.35 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.986 1.314 . . . . 0.0 109.807 167.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.415 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 3.1 p -66.54 -22.34 66.16 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 117.741 0.246 . . . . 0.0 111.491 -178.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.48 87.34 Favored 'General case' 0 N--CA 1.438 -1.063 0 C-N-CA 121.074 -0.251 . . . . 0.0 110.955 177.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 22.5 m -89.49 -37.75 14.53 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.314 1.846 . . . . 0.0 111.18 -174.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.45 -40.27 96.06 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.482 0.583 . . . . 0.0 109.495 169.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 129.74 3.216 . . . . 0.0 111.644 175.68 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.209 0 N-CA-C 109.698 -1.361 . . . . 0.0 109.698 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -69.19 158.41 34.99 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 117.765 0.782 . . . . 0.0 109.403 168.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -158.02 166.85 31.49 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.25 1.82 . . . . 0.0 106.753 170.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 58.5 ttp -79.49 154.2 29.04 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 109.2 -0.666 . . . . 0.0 109.2 168.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -140.57 160.61 39.64 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 106.665 -1.605 . . . . 0.0 106.665 160.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -140.97 154.46 68.43 Favored Pre-proline 0 C--O 1.239 0.507 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 -177.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -76.55 64.36 7.36 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 123.726 2.951 . . . . 0.0 110.739 -178.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -129.58 -71.46 0.62 Allowed 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.311 1.444 . . . . 0.0 107.996 -176.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.52 90.77 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 125.789 1.636 . . . . 0.0 111.216 178.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.0 m170 -121.51 162.8 19.9 Favored 'General case' 0 C--O 1.227 -0.119 0 C-N-CA 124.602 1.161 . . . . 0.0 109.112 -175.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -136.68 94.18 2.96 Favored 'General case' 0 N--CA 1.453 -0.325 0 O-C-N 122.15 -0.344 . . . . 0.0 110.664 -158.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.8 mt -83.79 95.51 3.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 N-CA-C 105.39 -2.078 . . . . 0.0 105.39 171.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.79 100.0 3.91 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 173.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.3 t -112.91 -167.71 1.22 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.641 1.576 . . . . 0.0 109.588 -173.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.3 m -127.45 155.79 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.276 1.03 . . . . 0.0 109.284 171.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.443 ' SG ' ' HA ' ' A' ' 48' ' ' VAL . 16.4 t -83.62 131.33 34.97 Favored 'General case' 0 N--CA 1.444 -0.74 0 C-N-CA 124.889 1.276 . . . . 0.0 109.666 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.9 t -70.1 -29.97 67.06 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -171.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.44 -19.92 20.8 Favored 'General case' 0 C--N 1.344 0.364 0 CA-C-N 119.13 0.877 . . . . 0.0 111.88 -173.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 15.9 p -130.32 -0.89 4.52 Favored 'General case' 0 N--CA 1.452 -0.37 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -173.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 21.6 t0 50.29 25.97 2.05 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.848 2.059 . . . . 0.0 113.021 -177.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -83.03 146.59 24.14 Favored Glycine 0 C--N 1.34 0.798 0 N-CA-C 108.343 -1.903 . . . . 0.0 108.343 178.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.43 135.11 54.81 Favored 'General case' 0 N--CA 1.451 -0.409 0 N-CA-C 107.621 -1.252 . . . . 0.0 107.621 176.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.7 mt -126.53 123.49 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 107.767 -1.197 . . . . 0.0 107.767 172.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.5 104.99 4.66 Favored 'General case' 0 N--CA 1.45 -0.432 0 N-CA-C 107.112 -1.44 . . . . 0.0 107.112 160.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 18.9 mt -89.23 87.14 7.03 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 107.321 -1.363 . . . . 0.0 107.321 172.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 92.8 m -71.11 103.63 2.81 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 119.136 -1.026 . . . . 0.0 108.358 164.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.466 HG12 ' CE2' ' B' ' 47' ' ' PHE . 6.7 m -112.71 124.84 69.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 N-CA-C 104.074 -2.565 . . . . 0.0 104.074 175.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -91.87 84.48 5.38 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 103.518 -2.771 . . . . 0.0 103.518 -169.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.9 m -147.98 129.95 15.33 Favored 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 124.215 1.006 . . . . 0.0 110.488 -158.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.6 m -58.5 144.89 40.88 Favored 'General case' 0 C--O 1.225 -0.218 0 CA-C-O 118.471 -0.776 . . . . 0.0 109.017 -175.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -50.48 -38.61 44.91 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -163.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -96.33 -15.02 22.13 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -175.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -71.28 -40.23 71.05 Favored 'General case' 0 N--CA 1.442 -0.837 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 162.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.453 ' HA ' HD23 ' A' ' 37' ' ' LEU . 3.2 tt -58.95 -46.9 86.9 Favored 'General case' 0 C--O 1.223 -0.298 0 C-N-CA 124.638 1.175 . . . . 0.0 109.432 171.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -56.24 -51.95 66.25 Favored 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 124.818 1.247 . . . . 0.0 108.53 176.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 91.3 m -54.82 -53.95 48.58 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.838 1.255 . . . . 0.0 110.077 178.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -64.44 -28.41 69.65 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 121.677 -0.639 . . . . 0.0 111.072 179.446 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.6 tt0 -73.07 -24.63 60.69 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 120.517 -1.364 . . . . 0.0 111.134 172.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 32.5 mm-40 -69.59 -36.49 76.28 Favored 'General case' 0 N--CA 1.454 -0.275 0 O-C-N 120.889 -1.132 . . . . 0.0 109.523 166.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.6 mt -62.19 -34.99 77.51 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 118.852 0.751 . . . . 0.0 111.106 171.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -60.37 -54.6 43.67 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 118.891 0.769 . . . . 0.0 109.93 169.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.0 mt -61.16 -27.3 68.3 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.735 0.814 . . . . 0.0 112.406 -178.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.2 t -68.54 -68.34 0.4 Allowed 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 126.07 1.748 . . . . 0.0 110.072 170.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 21.2 p -147.38 -34.04 0.26 Allowed 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 -170.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.2 tt -69.28 137.38 52.99 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 117.997 0.362 . . . . 0.0 111.377 -161.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.5 p -118.89 171.03 8.52 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.561 0.744 . . . . 0.0 109.051 159.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.426 ' CE2' HG12 ' B' ' 27' ' ' VAL . 9.5 t80 -113.38 153.28 28.81 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 173.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.443 ' HA ' ' SG ' ' A' ' 16' ' ' CYS 0.322 0.4 OUTLIER -135.37 107.35 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 N-CA-C 107.599 -1.259 . . . . 0.0 107.599 179.129 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 p -56.27 143.49 64.64 Favored Pre-proline 0 CA--C 1.535 0.394 0 C-N-CA 125.15 1.38 . . . . 0.0 110.672 -167.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -61.98 -26.73 78.92 Favored 'Trans proline' 0 C--N 1.35 0.618 0 C-N-CA 121.615 1.543 . . . . 0.0 112.856 -172.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 2.0 t90 -56.94 -63.93 1.04 Allowed 'General case' 0 C--O 1.235 0.339 0 C-N-CA 123.735 0.814 . . . . 0.0 109.564 169.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.5 p -65.61 -31.32 72.29 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 118.875 -0.583 . . . . 0.0 110.798 -174.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.11 -37.38 83.8 Favored 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 123.604 0.565 . . . . 0.0 110.408 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 30.3 m -71.95 -41.35 67.89 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.108 0.963 . . . . 0.0 110.678 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -66.97 -41.98 85.92 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 122.924 0.489 . . . . 0.0 111.257 178.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.6 tt0 . . . . . 0 C--O 1.25 1.115 0 C-N-CA 128.131 2.572 . . . . 0.0 111.255 -166.686 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.985 0 N-CA-C 109.037 -1.625 . . . . 0.0 109.037 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 51.0 p -121.94 172.53 8.14 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 106.466 -1.679 . . . . 0.0 106.466 158.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 36.9 t60 57.57 -154.68 0.35 Allowed 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -158.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 32.3 ttp -153.78 -176.03 5.64 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 124.905 1.282 . . . . 0.0 107.567 177.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . 62.19 56.59 2.18 Favored 'General case' 0 N--CA 1.466 0.339 0 C-N-CA 126.356 1.862 . . . . 0.0 111.508 176.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -95.2 145.49 29.63 Favored Pre-proline 0 CA--C 1.542 0.658 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 -172.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 69.7 Cg_endo -76.83 58.47 6.05 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 124.881 3.721 . . . . 0.0 112.459 -167.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 21.9 mp0 -129.47 -52.51 1.17 Allowed 'General case' 0 N--CA 1.447 -0.594 0 C-N-CA 125.615 1.566 . . . . 0.0 110.092 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -62.25 93.47 0.05 OUTLIER 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 120.331 1.423 . . . . 0.0 111.4 -172.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 42.9 m170 -126.87 175.58 7.93 Favored 'General case' 0 CA--C 1.529 0.169 0 C-N-CA 125.296 1.438 . . . . 0.0 110.697 -166.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 28.7 mtpt -143.81 98.27 3.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.233 1.013 . . . . 0.0 109.752 -160.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 55.6 mt -86.58 96.63 5.54 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.216 0 N-CA-C 106.154 -1.795 . . . . 0.0 106.154 169.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 tt -66.06 108.28 2.18 Favored 'General case' 0 N--CA 1.448 -0.562 0 O-C-N 121.041 -1.037 . . . . 0.0 108.519 168.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.82 -166.81 1.33 Allowed 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.874 1.269 . . . . 0.0 108.251 173.114 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 19.4 m -125.22 153.81 32.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 171.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . 1.13 ' SG ' 'ZN ' ' B' ' 57' ' ' ' ZN' . 21.8 t -71.14 132.14 44.61 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 171.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 49.6 t -54.2 -29.92 47.92 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.105 0.962 . . . . 0.0 112.934 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . 0.42 ' HE2' ' HB3' ' B' ' 18' ' ' LYS . 10.2 ptpt -127.43 -22.35 3.68 Favored 'General case' 0 C--N 1.34 0.155 0 N-CA-C 114.676 1.361 . . . . 0.0 114.676 -166.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 4.2 m -82.16 -16.77 48.67 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-O 118.172 -0.918 . . . . 0.0 111.242 164.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 27.9 t0 45.6 44.95 10.59 Favored 'General case' 0 C--N 1.347 0.468 0 C-N-CA 125.657 1.583 . . . . 0.0 110.737 -170.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.88 150.12 18.98 Favored Glycine 0 C--N 1.338 0.666 0 C-N-CA 124.919 1.247 . . . . 0.0 110.323 -171.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.73 113.92 2.5 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 127.581 2.352 . . . . 0.0 109.451 -176.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 9.6 mt -112.04 119.19 59.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 N-CA-C 107.687 -1.227 . . . . 0.0 107.687 167.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -85.96 86.99 7.34 Favored 'General case' 0 N--CA 1.446 -0.63 0 C-N-CA 124.871 1.268 . . . . 0.0 108.621 173.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 60.8 mt -70.52 96.71 1.21 Allowed 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 -170.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 5.7 m -84.65 91.46 7.93 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 -176.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.426 HG12 ' CE2' ' A' ' 47' ' ' PHE . 5.0 m -119.36 135.11 60.79 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 N-CA-C 105.303 -2.11 . . . . 0.0 105.303 -173.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -114.11 94.17 4.69 Favored 'General case' 0 N--CA 1.445 -0.695 0 N-CA-C 107.316 -1.364 . . . . 0.0 107.316 -160.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.8 t -160.8 160.56 31.33 Favored 'General case' 0 C--O 1.233 0.22 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 177.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 21.1 m -53.72 147.05 12.25 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 123.828 0.851 . . . . 0.0 109.977 -179.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.27 -38.88 55.2 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 -166.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -83.45 -21.74 32.81 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -175.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -73.5 -41.24 63.35 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 124.494 1.118 . . . . 0.0 108.982 170.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.411 ' HA ' HD23 ' B' ' 37' ' ' LEU . 0.5 OUTLIER -55.93 -47.45 77.52 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 121.957 0.884 . . . . 0.0 109.969 168.431 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 72.6 ttt180 -62.94 -47.38 83.46 Favored 'General case' 0 CA--C 1.509 -0.625 0 C-N-CA 125.723 1.609 . . . . 0.0 108.83 -176.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 85.8 m -54.65 -51.57 65.03 Favored 'General case' 0 C--O 1.237 0.44 0 C-N-CA 123.814 0.846 . . . . 0.0 109.273 177.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -62.34 -32.77 73.59 Favored 'General case' 0 CA--C 1.545 0.757 0 O-C-N 121.985 -0.447 . . . . 0.0 111.36 175.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 20.6 tt0 -66.46 -29.93 70.16 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 120.596 -1.315 . . . . 0.0 110.761 173.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 20.8 mm-40 -69.82 -35.81 75.11 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 119.385 0.993 . . . . 0.0 109.421 174.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 24.6 mt -56.12 -46.63 79.08 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 118.519 0.599 . . . . 0.0 110.777 168.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -61.44 -45.55 93.83 Favored 'General case' 0 N--CA 1.468 0.472 0 O-C-N 122.162 -0.336 . . . . 0.0 111.125 177.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 35.3 mt -64.55 -26.7 68.53 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.666 0.787 . . . . 0.0 112.213 176.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 10.7 t -72.58 -61.67 1.72 Allowed 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 119.06 0.846 . . . . 0.0 109.889 174.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 38.8 p -151.06 -28.57 0.2 Allowed 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 -167.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.72 149.86 34.51 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -159.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.36 168.79 16.38 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.162 1.385 . . . . 0.0 109.35 173.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . 0.466 ' CE2' HG12 ' A' ' 27' ' ' VAL . 10.3 t80 -122.25 151.84 40.65 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 172.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . 0.259 2.8 t -138.22 94.93 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.219 0 N-CA-C 105.183 -2.155 . . . . 0.0 105.183 -170.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 4.0 p -57.97 150.83 47.91 Favored Pre-proline 0 CA--C 1.536 0.438 0 C-N-CA 124.845 1.258 . . . . 0.0 110.685 -170.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -58.84 -24.73 73.5 Favored 'Trans proline' 0 CA--C 1.539 0.728 0 C-N-CA 121.737 1.625 . . . . 0.0 114.106 -170.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 20.1 t90 -57.62 -67.97 0.28 Allowed 'General case' 0 C--O 1.236 0.376 0 C-N-CA 125.423 1.489 . . . . 0.0 110.542 171.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.402 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 26.1 p -65.06 -29.77 70.68 Favored 'General case' 0 CA--C 1.514 -0.426 0 CA-C-N 118.628 0.649 . . . . 0.0 111.441 177.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.27 -37.46 87.35 Favored 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 119.606 -0.838 . . . . 0.0 111.062 -178.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 36.0 m -72.81 -52.02 16.58 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 125.89 1.676 . . . . 0.0 110.618 175.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -75.28 -26.74 59.01 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.729 0.641 . . . . 0.0 112.729 -171.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 15.3 tt0 . . . . . 0 C--O 1.253 1.244 0 C-N-CA 127.645 2.378 . . . . 0.0 110.624 -167.669 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ' ZN' . . . . . 1.13 'ZN ' ' SG ' ' B' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.29 0 N-CA-C 110.606 -0.998 . . . . 0.0 110.606 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 m -65.58 85.51 0.07 Allowed 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 123.993 0.917 . . . . 0.0 109.291 168.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -147.12 35.46 0.9 Allowed 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.511 1.124 . . . . 0.0 110.51 174.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 10.9 ttp -162.38 28.23 0.11 Allowed 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.396 1.258 . . . . 0.0 114.396 159.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.413 ' H ' ' CD ' ' A' ' 6' ' ' GLU . . . -139.67 24.25 2.43 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 125.549 1.539 . . . . 0.0 112.46 179.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.413 ' CD ' ' H ' ' A' ' 5' ' ' ALA . 18.9 mp0 -97.58 154.23 38.02 Favored Pre-proline 0 CA--C 1.541 0.598 0 C-N-CA 123.585 0.754 . . . . 0.0 110.089 -168.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 80.9 Cg_endo -74.77 58.07 4.61 Favored 'Trans proline' 0 C--N 1.353 0.79 0 C-N-CA 124.703 3.602 . . . . 0.0 111.888 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 17.8 mp0 -127.56 -52.02 1.37 Allowed 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 126.441 1.897 . . . . 0.0 109.841 174.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -63.37 91.75 0.05 Allowed 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 120.453 1.479 . . . . 0.0 111.067 -171.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 48.1 m170 -127.1 161.58 28.11 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 123.339 0.656 . . . . 0.0 110.849 -166.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -137.39 97.12 3.39 Favored 'General case' 0 C--N 1.339 0.123 0 C-N-CA 125.261 1.424 . . . . 0.0 109.08 -165.402 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.6 mt -89.75 101.01 11.74 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.26 0 N-CA-C 106.672 -1.603 . . . . 0.0 106.672 176.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 tt -67.6 118.74 11.3 Favored 'General case' 0 N--CA 1.447 -0.602 0 O-C-N 120.511 -1.368 . . . . 0.0 109.257 173.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.8 t -124.03 -173.4 2.75 Favored 'General case' 0 N--CA 1.445 -0.7 0 C-N-CA 125.963 1.705 . . . . 0.0 108.294 169.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.7 m -123.4 155.26 29.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.212 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 169.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 10.2 t -67.59 125.8 27.32 Favored 'General case' 0 N--CA 1.449 -0.49 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 175.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.8 t -58.34 -22.99 55.34 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -174.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.507 ' HE2' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -121.79 -20.92 6.26 Favored 'General case' 0 C--N 1.343 0.289 0 N-CA-C 115.224 1.565 . . . . 0.0 115.224 -173.094 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.8 p -114.71 -0.45 13.57 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.936 1.244 . . . . 0.0 113.064 173.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 23.5 t0 54.23 25.0 5.37 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.373 1.869 . . . . 0.0 113.162 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.77 150.38 36.07 Favored Glycine 0 C--N 1.339 0.715 0 N-CA-C 109.647 -1.381 . . . . 0.0 109.647 -179.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -65.39 110.37 2.62 Favored 'General case' 0 N--CA 1.464 0.231 0 C-N-CA 124.881 1.272 . . . . 0.0 108.626 176.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 6.6 mt -118.58 106.0 18.76 Favored 'Isoleucine or valine' 0 C--N 1.341 0.206 0 CA-C-O 122.609 1.195 . . . . 0.0 108.5 174.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -76.21 89.5 3.1 Favored 'General case' 0 N--CA 1.444 -0.764 0 C-N-CA 125.151 1.38 . . . . 0.0 108.654 170.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.5 mt -69.03 91.88 0.5 Allowed 'General case' 0 C--O 1.234 0.269 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 -172.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.9 m -86.95 108.8 18.98 Favored 'General case' 0 N--CA 1.436 -1.145 0 N-CA-C 105.503 -2.036 . . . . 0.0 105.503 -174.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 10.8 m -125.61 123.12 63.94 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 104.336 -2.468 . . . . 0.0 104.336 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.461 ' HG3' HG22 ' B' ' 48' ' ' VAL . 4.7 mt-10 -83.97 94.19 8.22 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 105.14 -2.17 . . . . 0.0 105.14 174.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -153.58 154.11 33.64 Favored 'General case' 0 CA--C 1.517 -0.309 0 C-N-CA 122.806 0.443 . . . . 0.0 111.303 177.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.2 m -53.78 147.23 12.15 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.223 1.409 . . . . 0.0 110.35 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -57.1 -43.42 82.21 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.777 -0.577 . . . . 0.0 112.543 -170.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -71.45 -30.96 66.64 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 -178.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -68.33 -48.89 63.68 Favored 'General case' 0 N--CA 1.448 -0.564 0 C-N-CA 125.345 1.458 . . . . 0.0 108.383 176.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.76 -41.25 73.73 Favored 'General case' 0 C--O 1.223 -0.325 0 C-N-CA 126.949 2.099 . . . . 0.0 111.896 171.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -69.57 -46.75 65.65 Favored 'General case' 0 CA--C 1.508 -0.67 0 C-N-CA 127.09 2.156 . . . . 0.0 108.542 -177.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 38.0 m -55.08 -50.59 68.78 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 174.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.42 -42.99 61.87 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.097 1.359 . . . . 0.0 111.462 169.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -66.64 -31.19 71.71 Favored 'General case' 0 CA--C 1.537 0.455 0 O-C-N 120.532 -1.355 . . . . 0.0 110.653 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -69.66 -35.43 75.16 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 118.734 0.697 . . . . 0.0 109.779 173.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 19.3 mt -57.36 -44.26 84.2 Favored 'General case' 0 C--N 1.344 0.34 0 CA-C-O 118.724 -0.655 . . . . 0.0 109.543 169.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -63.73 -41.72 98.01 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 119.178 0.899 . . . . 0.0 111.609 177.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.7 mt -64.85 -24.44 67.54 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.388 0.675 . . . . 0.0 112.285 174.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.6 t -88.68 -65.28 1.03 Allowed 'General case' 0 N--CA 1.449 -0.52 0 C-N-CA 126.041 1.737 . . . . 0.0 112.37 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.11 -18.21 0.4 Allowed 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 116.426 2.009 . . . . 0.0 116.426 -158.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -92.59 145.53 24.36 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 124.387 1.075 . . . . 0.0 113.265 -171.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.3 p -137.17 173.27 11.87 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.923 1.689 . . . . 0.0 109.505 167.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -128.03 158.31 38.28 Favored 'General case' 0 C--O 1.236 0.392 0 CA-C-O 122.253 1.025 . . . . 0.0 109.835 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.507 HG11 ' HE2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -149.05 109.03 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.127 0 C-N-CA 126.247 1.819 . . . . 0.0 107.588 -167.675 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.9 p -61.22 159.87 26.74 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 123.8 0.84 . . . . 0.0 110.995 -177.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -60.42 -25.52 80.62 Favored 'Trans proline' 0 CA--C 1.536 0.624 0 C-N-CA 122.34 2.027 . . . . 0.0 113.292 177.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -60.39 -48.6 81.04 Favored 'General case' 0 C--N 1.342 0.241 0 O-C-N 121.933 -0.479 . . . . 0.0 110.162 170.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 80.1 m -72.58 -28.18 62.64 Favored 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 123.275 0.63 . . . . 0.0 112.471 176.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.58 -34.73 73.09 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 119.1 0.864 . . . . 0.0 110.85 168.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 23.2 m -85.72 -44.12 12.81 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.151 1.38 . . . . 0.0 112.058 -177.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -111.11 -13.11 14.09 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.462 1.105 . . . . 0.0 113.33 -165.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.4 tt0 . . . . . 0 C--O 1.249 1.042 0 C-N-CA 125.709 1.604 . . . . 0.0 110.591 -159.723 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.166 0 N-CA-C 109.802 -1.319 . . . . 0.0 109.802 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -69.48 103.04 1.94 Allowed 'General case' 0 C--O 1.235 0.318 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 174.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -140.4 152.16 45.51 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 124.975 1.31 . . . . 0.0 108.421 -178.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 26.4 ttm -160.91 38.67 0.15 Allowed 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.444 1.097 . . . . 0.0 110.45 166.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -118.77 20.7 12.78 Favored 'General case' 0 N--CA 1.447 -0.616 0 C-N-CA 128.41 2.684 . . . . 0.0 113.577 -167.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 22.8 mp0 -87.37 157.02 53.67 Favored Pre-proline 0 C--N 1.326 -0.448 0 C-N-CA 124.159 0.984 . . . . 0.0 110.192 -165.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_endo -74.97 54.26 3.57 Favored 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 124.407 3.405 . . . . 0.0 111.075 176.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -123.93 -73.75 0.63 Allowed 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 127.983 2.513 . . . . 0.0 107.458 -177.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -56.72 93.4 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.26 0 C-N-CA 126.543 1.937 . . . . 0.0 111.134 -173.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 47.8 m170 -125.85 162.57 24.85 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 126.009 1.723 . . . . 0.0 109.123 -171.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.41 93.5 2.82 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.653 0.781 . . . . 0.0 108.954 -165.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 35.9 mt -81.76 101.88 7.06 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.266 0 N-CA-C 106.304 -1.739 . . . . 0.0 106.304 176.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.8 tt -67.91 113.1 5.35 Favored 'General case' 0 N--CA 1.447 -0.603 0 O-C-N 120.971 -1.081 . . . . 0.0 108.772 172.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 44.0 m -122.91 -171.46 2.3 Favored 'General case' 0 N--CA 1.449 -0.497 0 C-N-CA 125.654 1.582 . . . . 0.0 109.1 172.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 31.4 m -113.76 160.67 13.12 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 108.681 -0.859 . . . . 0.0 108.681 160.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . 1.142 ' SG ' 'ZN ' ' B' ' 57' ' ' ' ZN' . 38.9 t -64.84 134.11 53.37 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 168.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 44.7 t -51.47 -37.06 46.99 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 126.117 1.767 . . . . 0.0 112.008 175.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.26 -25.13 3.28 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -169.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 8.9 m -85.89 -11.28 53.64 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 118.364 -0.827 . . . . 0.0 111.617 171.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 30.7 t0 41.47 48.78 3.45 Favored 'General case' 0 C--N 1.347 0.473 0 C-N-CA 127.231 2.212 . . . . 0.0 112.167 -178.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.63 154.22 20.32 Favored Glycine 0 C--N 1.336 0.571 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -60.47 121.0 11.02 Favored 'General case' 0 CA--C 1.52 -0.184 0 C-N-CA 126.502 1.921 . . . . 0.0 109.169 -173.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 22.8 mt -120.37 127.1 75.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 168.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 75.1 tt0 -88.87 87.76 7.35 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 107.897 -1.149 . . . . 0.0 107.897 170.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 61.7 mt -68.8 97.8 0.86 Allowed 'General case' 0 C--O 1.235 0.318 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 -169.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 31.5 m -86.49 100.83 12.65 Favored 'General case' 0 N--CA 1.439 -0.996 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 -173.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 15.1 m -122.94 137.23 57.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 N-CA-C 106.094 -1.817 . . . . 0.0 106.094 178.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -89.12 107.13 18.88 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 106.035 -1.839 . . . . 0.0 106.035 174.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 64.1 m -157.86 132.05 8.17 Favored 'General case' 0 N--CA 1.443 -0.79 0 O-C-N 121.529 -0.732 . . . . 0.0 109.813 -163.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 69.1 m -62.5 149.18 43.58 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 173.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.2 -44.38 71.55 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-N 119.189 0.904 . . . . 0.0 113.027 -169.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -78.89 -20.98 48.11 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.737 0.815 . . . . 0.0 112.087 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -75.0 -42.11 58.15 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.948 1.299 . . . . 0.0 108.546 173.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.448 ' HA ' HD23 ' B' ' 37' ' ' LEU . 0.6 OUTLIER -61.18 -38.69 87.4 Favored 'General case' 0 C--O 1.221 -0.425 0 C-N-CA 126.756 2.022 . . . . 0.0 110.972 171.327 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 57.4 ttt180 -66.12 -45.9 79.48 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 127.043 2.137 . . . . 0.0 108.86 175.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 60.6 m -57.8 -49.49 76.44 Favored 'General case' 0 CA--C 1.538 0.492 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 174.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -55.74 -37.45 68.49 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 124.562 1.145 . . . . 0.0 111.662 170.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -68.28 -30.25 69.22 Favored 'General case' 0 CA--C 1.541 0.597 0 O-C-N 120.156 -1.59 . . . . 0.0 109.826 177.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -71.49 -35.67 70.86 Favored 'General case' 0 CA--C 1.533 0.321 0 O-C-N 120.877 -1.14 . . . . 0.0 109.89 172.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 79.7 mt -61.39 -32.28 72.21 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 118.284 0.493 . . . . 0.0 110.857 169.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -64.71 -48.57 74.17 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 125.131 1.373 . . . . 0.0 110.413 173.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 53.3 mt -64.47 -29.16 70.21 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.241 1.017 . . . . 0.0 112.255 176.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 1.5 t -63.62 -77.75 0.05 Allowed 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 126.581 1.952 . . . . 0.0 109.739 169.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 24.0 p -141.24 -26.39 0.71 Allowed 'General case' 0 C--O 1.236 0.391 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 176.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.93 100.23 0.11 Allowed 'General case' 0 CA--C 1.516 -0.364 0 C-N-CA 123.829 0.852 . . . . 0.0 113.108 -159.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 14.2 m -107.36 153.21 23.1 Favored 'General case' 0 N--CA 1.434 -1.248 0 N-CA-C 105.966 -1.864 . . . . 0.0 105.966 179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -115.15 152.84 31.89 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 123.044 1.402 . . . . 0.0 111.24 -166.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.461 HG22 ' HG3' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -141.52 101.1 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.944 0 C-N-CA 127.619 2.367 . . . . 0.0 105.171 -157.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 p -62.07 161.35 24.11 Favored Pre-proline 0 CA--C 1.542 0.671 0 C-N-CA 122.782 0.433 . . . . 0.0 110.268 176.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.24 -23.78 31.38 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 122.208 1.939 . . . . 0.0 115.308 -177.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 14.6 t90 -61.3 -65.69 0.65 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.05 0.94 . . . . 0.0 110.903 172.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.436 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 0.7 OUTLIER -64.78 -20.93 66.64 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 118.447 0.567 . . . . 0.0 112.48 175.772 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.3 -43.96 93.13 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 118.274 -1.37 . . . . 0.0 109.573 171.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 17.2 m -77.2 -20.81 54.84 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.554 1.541 . . . . 0.0 112.735 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -119.57 -11.7 9.41 Favored 'General case' 0 N--CA 1.483 1.202 0 CA-C-N 120.613 1.552 . . . . 0.0 114.228 -171.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 23.0 tt0 . . . . . 0 C--O 1.247 0.934 0 C-N-CA 125.363 1.465 . . . . 0.0 109.853 -159.318 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ' ZN' . . . . . 1.142 'ZN ' ' SG ' ' B' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.197 0 N-CA-C 109.981 -1.247 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 m -166.12 173.45 10.27 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 126.058 1.743 . . . . 0.0 107.12 171.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 81.2 t60 -137.36 136.64 38.1 Favored 'General case' 0 N--CA 1.453 -0.276 0 N-CA-C 106.546 -1.65 . . . . 0.0 106.546 169.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -174.14 178.15 2.16 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.377 1.471 . . . . 0.0 108.861 178.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 56.43 30.84 17.72 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 126.291 1.837 . . . . 0.0 113.268 175.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -134.31 160.0 70.17 Favored Pre-proline 0 C--O 1.239 0.522 0 C-N-CA 126.33 1.852 . . . . 0.0 108.659 -176.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_endo -73.78 77.87 2.57 Favored 'Trans proline' 0 N--CA 1.456 -0.683 0 C-N-CA 123.855 3.037 . . . . 0.0 109.331 176.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -142.5 -67.17 0.38 Allowed 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 124.15 0.98 . . . . 0.0 108.73 -178.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.39 91.93 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.359 1.464 . . . . 0.0 110.807 178.054 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 51.0 m170 -124.44 159.01 31.45 Favored 'General case' 0 C--O 1.227 -0.106 0 C-N-CA 124.857 1.263 . . . . 0.0 109.266 -171.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 35.8 mtpt -135.82 93.28 2.92 Favored 'General case' 0 N--CA 1.456 -0.148 0 O-C-N 122.153 -0.342 . . . . 0.0 110.779 -158.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.6 mt -83.71 97.18 4.6 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.27 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 174.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 tt -65.44 112.36 3.51 Favored 'General case' 0 N--CA 1.448 -0.559 0 O-C-N 120.328 -1.482 . . . . 0.0 108.577 171.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.5 t -129.88 -164.84 1.45 Allowed 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.983 0.913 . . . . 0.0 110.461 177.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 19.7 m -122.13 154.55 26.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 123.915 0.886 . . . . 0.0 108.721 166.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.129 ' SG ' 'ZN ' ' A' ' 57' ' ' ' ZN' . 37.4 t -71.92 120.21 17.2 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 108.209 -1.034 . . . . 0.0 108.209 170.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 18.8 t -51.32 -36.06 40.94 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.935 0.894 . . . . 0.0 112.917 -176.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.499 ' HE2' ' HB2' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -107.69 -8.19 16.17 Favored 'General case' 0 C--O 1.232 0.157 0 N-CA-C 113.682 0.993 . . . . 0.0 113.682 -170.28 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.7 m -104.01 -20.98 13.68 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.968 0.907 . . . . 0.0 112.324 171.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 32.4 t0 42.6 48.03 4.61 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 126.124 1.77 . . . . 0.0 111.478 -159.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -117.59 146.97 18.78 Favored Glycine 0 C--N 1.34 0.777 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 176.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -64.32 126.44 27.78 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 126.136 1.774 . . . . 0.0 109.288 -174.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.6 mt -119.5 148.6 22.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.174 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 168.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.6 tt0 -115.54 83.88 2.0 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 175.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.3 mt -70.01 94.7 0.89 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.153 -1.385 . . . . 0.0 109.385 -161.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 15.3 m -85.64 85.82 7.39 Favored 'General case' 0 N--CA 1.448 -0.546 0 N-CA-C 108.431 -0.952 . . . . 0.0 108.431 -175.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.1 m -100.27 137.18 28.61 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -103.7 97.78 7.75 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 103.309 -2.849 . . . . 0.0 103.309 -167.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 31.8 m -156.66 132.76 9.76 Favored 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 120.525 -1.36 . . . . 0.0 111.241 -158.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.4 m -59.47 144.57 46.74 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 177.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.92 -40.24 66.55 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 -166.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -81.64 -21.89 37.91 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.841 0.829 . . . . 0.0 112.115 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -80.3 -39.89 27.88 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.741 1.616 . . . . 0.0 108.622 176.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.495 ' HA ' HD23 ' A' ' 37' ' ' LEU . 2.9 tt -56.11 -46.21 79.2 Favored 'General case' 0 C--O 1.225 -0.233 0 C-N-CA 126.548 1.939 . . . . 0.0 110.076 164.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -62.64 -44.15 97.0 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 124.457 1.103 . . . . 0.0 109.7 178.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.5 m -57.08 -49.79 74.76 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 175.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.495 HD23 ' HA ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -66.69 -25.35 66.51 Favored 'General case' 0 CA--C 1.547 0.841 0 O-C-N 121.254 -0.904 . . . . 0.0 112.371 176.097 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.404 ' HA ' ' HB2' ' A' ' 41' ' ' PHE . 6.5 tt0 -68.32 -31.8 71.47 Favored 'General case' 0 CA--C 1.539 0.534 0 O-C-N 120.275 -1.515 . . . . 0.0 109.875 170.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -70.32 -33.51 71.6 Favored 'General case' 0 CA--C 1.534 0.341 0 O-C-N 121.022 -1.049 . . . . 0.0 109.695 170.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.426 ' HA ' ' HB3' ' A' ' 43' ' ' SER . 77.4 mt -64.42 -28.96 70.04 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 118.882 0.765 . . . . 0.0 112.231 169.189 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.404 ' HB2' ' HA ' ' A' ' 38' ' ' GLN . 0.2 OUTLIER -61.93 -49.34 76.53 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.436 1.494 . . . . 0.0 109.644 169.571 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 81.6 mt -69.24 -23.36 63.86 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.126 0.97 . . . . 0.0 112.909 177.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.426 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . 7.0 t -67.89 -82.73 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 126.746 2.018 . . . . 0.0 109.188 170.217 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 38.5 p -139.79 -11.12 1.16 Allowed 'General case' 0 C--N 1.344 0.337 0 N-CA-C 115.454 1.65 . . . . 0.0 115.454 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.0 tt -76.82 108.3 9.75 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -166.139 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -89.65 176.39 6.89 Favored 'General case' 0 N--CA 1.447 -0.608 0 N-CA-C 107.332 -1.358 . . . . 0.0 107.332 158.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -128.03 148.12 50.53 Favored 'General case' 0 C--O 1.235 0.303 0 O-C-N 121.194 -0.941 . . . . 0.0 109.735 178.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.538 HG13 ' SG ' ' A' ' 52' ' ' CYS . 6.3 t -142.59 96.71 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.69 0 C-N-CA 126.641 1.976 . . . . 0.0 106.796 -168.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 4.9 p -53.63 148.64 17.97 Favored Pre-proline 0 CA--C 1.542 0.64 0 C-N-CA 126.052 1.741 . . . . 0.0 111.894 -174.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -61.68 -25.51 79.03 Favored 'Trans proline' 0 CA--C 1.543 0.93 0 C-N-CA 121.992 1.795 . . . . 0.0 113.956 -174.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 34.7 t90 -56.78 -53.74 54.36 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.147 0.979 . . . . 0.0 110.735 169.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.538 ' SG ' HG13 ' A' ' 48' ' ' VAL . 9.6 p -80.12 -18.47 49.74 Favored 'General case' 0 CA--C 1.513 -0.448 0 O-C-N 121.63 -0.669 . . . . 0.0 112.281 178.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.38 -38.59 87.58 Favored 'General case' 0 N--CA 1.435 -1.219 0 C-N-CA 118.835 -1.146 . . . . 0.0 109.585 169.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 19.4 m -73.01 -53.53 10.93 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 126.348 1.859 . . . . 0.0 111.061 175.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -87.05 -20.11 27.64 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.107 1.151 . . . . 0.0 114.107 -168.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 . . . . . 0 C--O 1.253 1.265 0 C-N-CA 126.094 1.757 . . . . 0.0 111.024 -162.773 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.115 0 N-CA-C 108.542 -1.823 . . . . 0.0 108.542 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 35.8 p 55.56 -159.17 0.21 Allowed 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 118.197 0.999 . . . . 0.0 109.93 -155.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -122.05 14.03 10.59 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.92 1.288 . . . . 0.0 110.653 166.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 40.5 ttm -60.73 107.41 0.69 Allowed 'General case' 0 C--N 1.345 0.407 0 C-N-CA 123.838 0.855 . . . . 0.0 110.8 -178.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -177.33 110.91 0.08 Allowed 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 128.594 2.758 . . . . 0.0 106.694 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -165.04 146.6 6.43 Favored Pre-proline 0 N--CA 1.447 -0.625 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -158.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -81.64 44.94 1.83 Allowed 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 124.507 3.471 . . . . 0.0 112.115 -168.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 16.8 mp0 -128.1 -63.42 1.01 Allowed 'General case' 0 C--O 1.224 -0.248 0 C-N-CA 124.694 1.198 . . . . 0.0 109.809 177.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -57.41 90.8 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.868 1.267 . . . . 0.0 111.864 -179.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 60.7 m170 -126.32 168.64 13.86 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 125.54 1.536 . . . . 0.0 110.402 -167.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.09 101.92 4.27 Favored 'General case' 0 C--N 1.338 0.103 0 C-N-CA 124.052 0.941 . . . . 0.0 109.666 -165.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 52.7 mt -89.65 101.1 11.79 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.223 0 N-CA-C 106.281 -1.748 . . . . 0.0 106.281 172.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.2 tt -68.03 120.72 14.72 Favored 'General case' 0 N--CA 1.447 -0.619 0 O-C-N 120.373 -1.454 . . . . 0.0 108.891 173.302 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 4.2 t -130.1 -173.21 2.98 Favored 'General case' 0 N--CA 1.447 -0.585 0 C-N-CA 126.507 1.923 . . . . 0.0 108.942 174.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.7 m -127.17 156.77 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 123.911 0.884 . . . . 0.0 109.062 169.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 11.4 t -73.74 130.82 40.76 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 123.138 0.575 . . . . 0.0 110.45 -178.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 5.8 t -60.98 -35.64 77.34 Favored 'General case' 0 CA--C 1.534 0.365 0 N-CA-C 112.681 0.623 . . . . 0.0 112.681 -174.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . 0.423 ' HB2' ' HE2' ' B' ' 18' ' ' LYS . 0.0 OUTLIER -105.85 -11.65 16.15 Favored 'General case' 0 C--N 1.342 0.247 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -167.729 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 28.0 p -139.17 2.89 2.13 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -179.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 18.7 t0 55.91 21.37 4.84 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 126.721 2.008 . . . . 0.0 114.139 177.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.15 148.04 40.38 Favored Glycine 0 C--N 1.339 0.743 0 N-CA-C 109.939 -1.264 . . . . 0.0 109.939 178.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -67.48 119.03 11.62 Favored 'General case' 0 N--CA 1.464 0.251 0 C-N-CA 125.047 1.339 . . . . 0.0 108.583 177.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 2.4 mt -125.3 114.17 38.66 Favored 'Isoleucine or valine' 0 C--N 1.342 0.257 0 CA-C-O 121.774 0.797 . . . . 0.0 109.403 177.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -81.67 87.32 6.3 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 170.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 50.0 mt -68.12 98.19 0.77 Allowed 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 107.841 -1.17 . . . . 0.0 107.841 -169.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 49.3 m -90.95 104.88 17.41 Favored 'General case' 0 N--CA 1.439 -1.024 0 N-CA-C 107.466 -1.309 . . . . 0.0 107.466 -172.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 9.0 m -121.32 140.54 45.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 105.15 -2.167 . . . . 0.0 105.15 -176.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -110.76 79.63 1.22 Allowed 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 105.647 -1.983 . . . . 0.0 105.647 -166.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -151.63 155.2 37.89 Favored 'General case' 0 C--N 1.343 0.302 0 CA-C-O 121.406 0.622 . . . . 0.0 111.915 -174.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.2 m -49.91 142.11 9.52 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 127.01 2.124 . . . . 0.0 110.249 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.38 -38.71 63.61 Favored 'General case' 0 CA--C 1.536 0.404 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -168.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -81.58 -25.17 36.0 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -178.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -71.74 -42.95 66.63 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.809 1.243 . . . . 0.0 108.766 172.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.402 ' HA ' HD23 ' B' ' 37' ' ' LEU . 0.7 OUTLIER -55.84 -46.57 78.13 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.203 1.401 . . . . 0.0 110.451 168.49 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -62.77 -47.91 81.48 Favored 'General case' 0 CA--C 1.51 -0.559 0 C-N-CA 125.395 1.478 . . . . 0.0 108.302 -177.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 41.0 m -55.74 -47.78 76.36 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -65.6 -31.13 71.99 Favored 'General case' 0 CA--C 1.54 0.569 0 O-C-N 121.826 -0.546 . . . . 0.0 112.39 175.643 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -65.65 -34.25 77.78 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 120.848 -1.158 . . . . 0.0 109.18 172.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 16.7 mm-40 -69.18 -32.68 72.14 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 119.425 1.011 . . . . 0.0 110.224 174.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 52.5 mt -59.68 -46.14 89.96 Favored 'General case' 0 C--N 1.343 0.324 0 CA-C-N 119.082 0.855 . . . . 0.0 110.455 168.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -60.18 -43.63 95.72 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 119.168 0.895 . . . . 0.0 111.646 174.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 10.2 tt -60.71 -37.62 82.31 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.846 1.258 . . . . 0.0 111.208 176.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 9.2 t -70.83 -63.31 1.12 Allowed 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 126.191 1.797 . . . . 0.0 111.827 176.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -144.99 -35.74 0.32 Allowed 'General case' 0 N--CA 1.445 -0.717 0 N-CA-C 115.151 1.538 . . . . 0.0 115.151 -158.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.11 158.01 21.53 Favored 'General case' 0 CA--C 1.53 0.202 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 -159.009 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.3 p -142.19 176.81 8.69 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.03 1.732 . . . . 0.0 109.795 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -137.32 155.32 49.58 Favored 'General case' 0 C--O 1.237 0.434 0 O-C-N 120.456 -1.403 . . . . 0.0 108.693 176.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . 0.272 1.8 t -137.47 100.23 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 C-N-CA 125.702 1.601 . . . . 0.0 106.872 -174.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 p -57.47 146.24 64.88 Favored Pre-proline 0 N--CA 1.47 0.543 0 C-N-CA 124.674 1.19 . . . . 0.0 110.723 -169.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -57.88 -30.3 89.13 Favored 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 121.915 1.743 . . . . 0.0 113.825 -172.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 19.0 t90 -56.24 -63.0 1.33 Allowed 'General case' 0 C--O 1.235 0.301 0 C-N-CA 124.513 1.125 . . . . 0.0 110.268 171.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 1.3 p -69.14 -28.21 66.23 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-O 119.59 -0.243 . . . . 0.0 110.539 -177.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.69 -37.76 88.55 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 117.996 0.362 . . . . 0.0 110.489 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 30.4 m -74.74 -49.58 20.51 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.012 1.725 . . . . 0.0 110.682 176.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -71.43 -25.69 62.42 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.111 0.564 . . . . 0.0 112.257 -176.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 . . . . . 0 C--O 1.252 1.188 0 C-N-CA 127.631 2.372 . . . . 0.0 111.002 -173.106 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . 1.129 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.953 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -56.16 135.76 52.98 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 165.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.6 t60 47.77 59.83 3.93 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.521 1.128 . . . . 0.0 111.691 -173.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 10.6 ptp -68.71 64.74 0.12 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.701 1.2 . . . . 0.0 113.214 176.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.95 34.02 0.06 Allowed 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 126.171 1.788 . . . . 0.0 110.9 161.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -87.0 146.1 39.82 Favored Pre-proline 0 CA--C 1.538 0.484 0 C-N-CA 125.075 1.35 . . . . 0.0 109.859 -166.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -78.26 47.03 2.26 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 125.208 3.939 . . . . 0.0 112.151 -169.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 19.4 mp0 -129.05 -49.83 1.21 Allowed 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.29 1.436 . . . . 0.0 111.518 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.9 89.94 0.06 Allowed 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 120.752 1.614 . . . . 0.0 111.129 -173.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -123.99 164.88 18.44 Favored 'General case' 0 N--CA 1.458 -0.071 0 C-N-CA 123.781 0.832 . . . . 0.0 110.618 -166.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.1 100.74 4.23 Favored 'General case' 0 CA--C 1.521 -0.164 0 C-N-CA 124.502 1.121 . . . . 0.0 109.204 -164.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 67.2 mt -85.59 95.8 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 106.07 -1.826 . . . . 0.0 106.07 171.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.8 tt -63.64 115.72 5.0 Favored 'General case' 0 N--CA 1.445 -0.675 0 O-C-N 121.015 -1.053 . . . . 0.0 108.225 169.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.0 t -124.25 -169.69 2.01 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 124.505 1.122 . . . . 0.0 109.09 171.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.8 m -119.46 161.19 18.93 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 164.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.153 ' SG ' 'ZN ' ' A' ' 57' ' ' ' ZN' . 14.2 t -67.12 127.96 34.57 Favored 'General case' 0 N--CA 1.444 -0.745 0 N-CA-C 108.847 -0.798 . . . . 0.0 108.847 173.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.2 t -48.65 -35.82 14.59 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 126.538 1.935 . . . . 0.0 112.394 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.66 -7.45 10.08 Favored 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 114.423 1.268 . . . . 0.0 114.423 -172.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -115.62 -12.63 11.56 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 124.32 1.048 . . . . 0.0 113.566 177.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 22.9 t0 54.72 20.8 3.15 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.968 1.707 . . . . 0.0 113.248 -173.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -87.41 147.28 20.62 Favored Glycine 0 C--N 1.341 0.851 0 N-CA-C 109.872 -1.291 . . . . 0.0 109.872 -178.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -64.75 122.4 16.8 Favored 'General case' 0 N--CA 1.464 0.259 0 C-N-CA 125.093 1.357 . . . . 0.0 109.095 -175.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.5 mt -128.26 130.49 69.45 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.174 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 173.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -97.54 85.61 3.65 Favored 'General case' 0 C--O 1.237 0.422 0 C-N-CA 123.974 0.91 . . . . 0.0 108.743 175.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 47.5 mt -71.34 100.12 2.09 Favored 'General case' 0 CA--C 1.511 -0.524 0 CA-C-N 114.928 -1.033 . . . . 0.0 109.044 -166.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 30.1 m -90.97 113.21 25.39 Favored 'General case' 0 N--CA 1.436 -1.151 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 -172.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.4 m -121.68 121.66 64.99 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.488 0 N-CA-C 103.513 -2.773 . . . . 0.0 103.513 178.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.457 ' HG3' ' CG2' ' B' ' 48' ' ' VAL . 7.0 mt-10 -81.37 100.75 9.41 Favored 'General case' 0 CA--C 1.53 0.211 0 N-CA-C 104.684 -2.339 . . . . 0.0 104.684 170.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -158.16 155.57 29.33 Favored 'General case' 0 CA--C 1.518 -0.287 0 C-N-CA 122.804 0.442 . . . . 0.0 109.834 173.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.5 m -54.84 145.67 19.24 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.984 0.914 . . . . 0.0 110.142 179.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.51 -39.33 64.53 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -168.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -92.67 -15.36 26.85 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 114.02 1.118 . . . . 0.0 114.02 -173.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -63.5 -46.15 87.43 Favored 'General case' 0 N--CA 1.446 -0.642 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 159.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.65 -36.06 79.73 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.816 1.647 . . . . 0.0 112.416 174.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -72.06 -44.38 63.42 Favored 'General case' 0 C--N 1.322 -0.611 0 C-N-CA 127.276 2.23 . . . . 0.0 109.78 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 28.7 m -56.28 -47.13 79.21 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 172.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.7 -37.94 74.36 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.324 1.45 . . . . 0.0 112.371 170.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -62.94 -34.36 77.31 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 119.943 -1.723 . . . . 0.0 110.609 173.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.5 mm-40 -69.7 -32.3 70.82 Favored 'General case' 0 N--CA 1.452 -0.359 0 O-C-N 121.646 -0.659 . . . . 0.0 109.746 173.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 70.8 mt -64.88 -31.2 72.32 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 118.639 0.654 . . . . 0.0 112.612 169.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -64.73 -49.4 70.98 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.952 1.251 . . . . 0.0 110.175 167.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.9 mt -62.48 -26.13 68.37 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.067 0.547 . . . . 0.0 112.373 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.8 t -67.19 -81.78 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.939 2.496 . . . . 0.0 109.882 167.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.7 p -138.74 -19.81 1.03 Allowed 'General case' 0 C--N 1.346 0.434 0 N-CA-C 116.228 1.936 . . . . 0.0 116.228 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 tt -71.23 144.37 50.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 122.35 1.071 . . . . 0.0 113.464 -161.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 46.9 m -152.69 166.46 32.09 Favored 'General case' 0 C--O 1.234 0.276 0 C-N-CA 124.734 1.213 . . . . 0.0 107.827 158.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -109.8 160.38 16.39 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.981 0.896 . . . . 0.0 109.594 -167.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.494 ' CG2' ' HG3' ' B' ' 28' ' ' GLU . 2.3 t -138.89 90.76 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 N-CA-C 103.496 -2.779 . . . . 0.0 103.496 -158.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.9 p -53.59 149.9 14.39 Favored Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 115.078 -0.964 . . . . 0.0 109.293 -176.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -55.91 -30.41 77.27 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 121.817 1.678 . . . . 0.0 113.569 -173.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -55.63 -61.23 2.49 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.954 0.902 . . . . 0.0 110.965 168.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.493 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER -67.08 -30.25 70.24 Favored 'General case' 0 C--O 1.224 -0.262 0 CA-C-O 118.988 -0.53 . . . . 0.0 111.692 -177.751 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.66 -36.6 84.79 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 118.313 0.506 . . . . 0.0 110.455 175.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.3 m -76.85 -45.03 29.92 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.152 0.981 . . . . 0.0 111.418 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.37 -45.82 18.8 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.699 0.8 . . . . 0.0 112.0 -174.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.079 0 C-N-CA 128.136 2.575 . . . . 0.0 112.167 -170.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.274 0 N-CA-C 107.364 -2.294 . . . . 0.0 107.364 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t 54.23 -172.59 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 117.253 0.527 . . . . 0.0 109.858 -135.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -137.58 90.96 2.55 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.217 1.007 . . . . 0.0 108.45 172.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -56.38 138.92 50.29 Favored 'General case' 0 C--O 1.235 0.314 0 C-N-CA 125.601 1.56 . . . . 0.0 109.594 173.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . 0.404 ' H ' ' CD ' ' B' ' 6' ' ' GLU . . . -135.68 19.01 3.3 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 125.551 1.54 . . . . 0.0 113.488 -174.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . 0.404 ' CD ' ' H ' ' B' ' 5' ' ' ALA . 16.7 mp0 -89.48 152.28 47.16 Favored Pre-proline 0 CA--C 1.542 0.671 0 C-N-CA 124.107 0.963 . . . . 0.0 110.261 -166.057 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -76.17 58.55 5.66 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 124.853 3.702 . . . . 0.0 111.941 -176.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 17.9 mp0 -128.23 -52.26 1.3 Allowed 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 126.043 1.737 . . . . 0.0 109.21 172.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.47 91.88 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 124.561 1.145 . . . . 0.0 110.779 -178.147 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 50.7 m170 -126.8 166.95 16.48 Favored 'General case' 0 C--N 1.341 0.209 0 C-N-CA 123.805 0.842 . . . . 0.0 111.256 -168.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.36 105.7 5.52 Favored 'General case' 0 C--N 1.341 0.23 0 C-N-CA 124.967 1.307 . . . . 0.0 109.363 -170.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 72.8 mt -89.43 97.09 6.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 170.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 8.0 tt -64.13 114.84 4.44 Favored 'General case' 0 N--CA 1.447 -0.62 0 O-C-N 120.971 -1.081 . . . . 0.0 108.4 168.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 2.8 t -123.03 -169.54 1.95 Allowed 'General case' 0 N--CA 1.448 -0.567 0 C-N-CA 124.693 1.197 . . . . 0.0 109.134 170.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.3 m -118.24 162.51 16.25 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 164.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . 1.127 ' SG ' 'ZN ' ' B' ' 57' ' ' ' ZN' . 27.1 t -66.34 127.76 33.49 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 170.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 43.5 t -47.98 -36.8 13.27 Favored 'General case' 0 CA--C 1.534 0.346 0 C-N-CA 126.607 1.963 . . . . 0.0 112.345 179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.59 -9.06 9.87 Favored 'General case' 0 CA--C 1.532 0.258 0 N-CA-C 114.297 1.221 . . . . 0.0 114.297 -172.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 1.6 m -113.62 -11.15 13.04 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.905 0.882 . . . . 0.0 113.033 178.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 22.5 t0 53.81 21.55 2.79 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.165 1.786 . . . . 0.0 113.285 -174.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -89.34 146.91 19.25 Favored Glycine 0 C--N 1.34 0.794 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -177.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -65.12 121.64 15.2 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 125.34 1.456 . . . . 0.0 109.304 -175.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 8.5 mt -127.12 126.1 67.48 Favored 'Isoleucine or valine' 0 C--N 1.34 0.174 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 174.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -93.75 85.91 4.97 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 124.059 0.944 . . . . 0.0 108.824 175.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.3 mt -71.17 98.23 1.66 Allowed 'General case' 0 CA--C 1.514 -0.439 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.063 -167.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 24.0 m -86.14 112.24 21.12 Favored 'General case' 0 N--CA 1.439 -0.984 0 N-CA-C 106.692 -1.595 . . . . 0.0 106.692 -175.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 m -122.76 120.16 60.0 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 103.301 -2.852 . . . . 0.0 103.301 178.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.494 ' HG3' ' CG2' ' A' ' 48' ' ' VAL . 5.9 mt-10 -83.65 99.37 10.16 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 104.526 -2.398 . . . . 0.0 104.526 172.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.5 t -157.69 155.53 30.14 Favored 'General case' 0 CA--C 1.518 -0.271 0 C-N-CA 123.038 0.535 . . . . 0.0 109.737 174.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.0 m -55.88 147.19 19.89 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 124.108 0.963 . . . . 0.0 110.133 -178.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.29 -40.83 65.02 Favored 'General case' 0 N--CA 1.463 0.22 0 N-CA-C 112.826 0.676 . . . . 0.0 112.826 -168.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -92.41 -14.9 27.92 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -173.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -63.86 -45.89 87.46 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 160.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.25 -38.65 84.13 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 125.615 1.566 . . . . 0.0 111.919 174.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -70.84 -44.56 66.2 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 127.463 2.305 . . . . 0.0 109.734 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 29.5 m -57.0 -46.7 82.1 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 173.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.11 -37.87 75.39 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 125.327 1.451 . . . . 0.0 112.296 171.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -62.86 -34.98 78.49 Favored 'General case' 0 CA--C 1.535 0.391 0 O-C-N 120.101 -1.625 . . . . 0.0 110.137 173.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -70.26 -31.16 68.41 Favored 'General case' 0 CA--C 1.534 0.353 0 O-C-N 121.589 -0.694 . . . . 0.0 110.019 173.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 73.3 mt -65.95 -30.4 70.96 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 118.847 0.748 . . . . 0.0 112.398 170.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -64.26 -49.41 71.98 Favored 'General case' 0 N--CA 1.476 0.855 0 CA-C-N 119.96 1.255 . . . . 0.0 109.914 167.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 70.8 mt -63.26 -27.15 69.15 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 5.2 t -64.31 -78.77 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 127.673 2.389 . . . . 0.0 109.678 167.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 40.4 p -143.22 -22.6 0.62 Allowed 'General case' 0 C--N 1.343 0.298 0 N-CA-C 115.931 1.826 . . . . 0.0 115.931 -178.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.0 tt -69.81 145.13 52.36 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 122.24 1.019 . . . . 0.0 113.197 -161.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.8 m -152.23 164.91 36.41 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 158.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 17.5 t80 -105.54 160.7 14.96 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 122.177 0.989 . . . . 0.0 109.585 -168.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.457 ' CG2' ' HG3' ' A' ' 28' ' ' GLU . 2.6 t -138.83 90.82 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 N-CA-C 103.238 -2.875 . . . . 0.0 103.238 -158.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 2.5 p -53.08 148.29 14.95 Favored Pre-proline 0 CA--C 1.533 0.327 0 CA-C-N 114.957 -1.02 . . . . 0.0 108.962 -176.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 12.5 Cg_endo -55.66 -28.84 67.91 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 122.239 1.959 . . . . 0.0 113.905 -170.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 21.4 t90 -54.41 -65.57 0.55 Allowed 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 125.373 1.469 . . . . 0.0 110.711 166.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.513 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 0.5 OUTLIER -67.91 -26.74 66.13 Favored 'General case' 0 C--O 1.226 -0.158 0 CA-C-N 118.801 0.728 . . . . 0.0 112.302 -178.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.37 -49.06 79.27 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 121.201 -0.937 . . . . 0.0 109.207 174.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 19.9 m -70.84 -51.42 26.68 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 125.729 1.612 . . . . 0.0 111.382 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -88.78 -12.19 42.79 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.07 0.948 . . . . 0.0 112.948 -167.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 . . . . . 0 C--O 1.253 1.258 0 C-N-CA 126.766 2.026 . . . . 0.0 110.097 -167.123 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . 1.153 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ' ZN' . . . . . 1.127 'ZN ' ' SG ' ' B' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.067 0 N-CA-C 109.951 -1.259 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m -64.86 168.97 5.61 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.713 0.805 . . . . 0.0 111.269 174.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.7 p80 -141.05 -175.88 4.48 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 107.275 -1.38 . . . . 0.0 107.275 163.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 24.7 ttt -127.95 167.53 16.52 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 124.867 1.267 . . . . 0.0 107.789 170.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -149.9 157.48 43.21 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 106.053 -1.832 . . . . 0.0 106.053 163.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -142.52 148.17 45.84 Favored Pre-proline 0 C--O 1.238 0.466 0 N-CA-C 108.048 -1.093 . . . . 0.0 108.048 179.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -76.46 54.55 4.37 Favored 'Trans proline' 0 CA--C 1.538 0.69 0 C-N-CA 124.757 3.638 . . . . 0.0 111.34 -178.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.3 mp0 -130.28 -53.41 1.11 Allowed 'General case' 0 N--CA 1.45 -0.463 0 C-N-CA 125.439 1.496 . . . . 0.0 110.009 -179.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.51 93.47 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 120.524 1.511 . . . . 0.0 110.496 -175.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 44.0 m170 -127.1 166.37 17.77 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 118.53 0.605 . . . . 0.0 110.325 -169.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.1 mtpt -141.95 94.67 2.7 Favored 'General case' 0 N--CA 1.45 -0.441 0 C-N-CA 124.165 0.986 . . . . 0.0 109.304 -161.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.4 mt -83.74 94.4 3.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 N-CA-C 106.342 -1.725 . . . . 0.0 106.342 172.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt -65.19 109.25 2.14 Favored 'General case' 0 N--CA 1.446 -0.636 0 O-C-N 120.652 -1.28 . . . . 0.0 108.546 166.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.7 t -117.42 -171.82 2.11 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.165 0.986 . . . . 0.0 109.235 171.108 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.8 m -120.81 155.01 24.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 124.157 0.983 . . . . 0.0 108.989 172.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.456 ' SG ' ' HA ' ' A' ' 48' ' ' VAL . 26.1 t -73.04 131.77 42.54 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.143 -177.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 13.5 t -61.44 -34.53 75.58 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.413 0.685 . . . . 0.0 112.09 -173.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.15 -17.0 15.07 Favored 'General case' 0 C--N 1.346 0.424 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 -173.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.3 p -134.75 3.61 3.26 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 -175.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.5 t0 57.06 15.07 2.21 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 126.892 2.077 . . . . 0.0 114.096 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.08 147.66 39.89 Favored Glycine 0 C--N 1.339 0.723 0 N-CA-C 110.068 -1.213 . . . . 0.0 110.068 -177.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -63.23 116.28 5.3 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 125.369 1.467 . . . . 0.0 109.243 178.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 7.4 mt -118.81 112.32 37.4 Favored 'Isoleucine or valine' 0 C--N 1.341 0.208 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 175.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -84.45 85.1 7.44 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.859 1.263 . . . . 0.0 109.185 174.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.3 mt -73.07 94.65 1.93 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.445 -0.798 . . . . 0.0 108.892 -171.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.1 m -80.86 109.29 15.28 Favored 'General case' 0 N--CA 1.441 -0.876 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 177.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.5 m -124.41 117.86 51.88 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 N-CA-C 103.951 -2.611 . . . . 0.0 103.951 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.56 ' HG3' ' CG2' ' B' ' 48' ' ' VAL . 5.5 mt-10 -86.2 102.97 14.39 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 105.48 -2.044 . . . . 0.0 105.48 178.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.566 ' HB2' HD12 ' B' ' 45' ' ' LEU . 1.5 t -163.82 157.5 18.95 Favored 'General case' 0 C--N 1.342 0.267 0 C-N-CA 123.851 0.86 . . . . 0.0 110.083 174.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 15.1 m -52.35 143.76 14.37 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.814 1.246 . . . . 0.0 110.542 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.44 -41.05 68.95 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -170.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -71.67 -32.47 67.92 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.855 0.862 . . . . 0.0 112.688 -178.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -67.89 -46.81 70.6 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.533 1.133 . . . . 0.0 108.673 174.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.79 -40.41 72.66 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 125.305 1.442 . . . . 0.0 111.88 172.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 69.9 ttt180 -73.49 -43.45 60.09 Favored 'General case' 0 CA--C 1.506 -0.717 0 C-N-CA 126.847 2.059 . . . . 0.0 109.351 -176.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 46.0 m -53.91 -51.86 62.38 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 170.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.56 -39.3 64.65 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 125.13 1.372 . . . . 0.0 111.936 170.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -67.76 -28.84 67.96 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 120.148 -1.595 . . . . 0.0 111.213 176.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -70.58 -35.61 73.14 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 119.064 0.847 . . . . 0.0 109.487 172.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 45.1 mt -60.96 -37.71 83.35 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 118.572 0.624 . . . . 0.0 110.881 171.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -60.5 -53.5 56.81 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-N 118.698 0.681 . . . . 0.0 110.216 170.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.6 mt -62.55 -25.95 68.32 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.558 0.743 . . . . 0.0 112.282 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 33.5 t -72.82 -69.71 0.4 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 126.641 1.976 . . . . 0.0 110.236 173.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 45.8 p -145.22 -29.97 0.43 Allowed 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 114.511 1.301 . . . . 0.0 114.511 -172.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.6 tt -70.52 149.22 47.39 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 122.815 1.293 . . . . 0.0 111.54 -163.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 62.9 m -142.8 171.08 14.54 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 159.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -111.06 157.14 20.31 Favored 'General case' 0 N--CA 1.449 -0.502 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 178.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.456 ' HA ' ' SG ' ' A' ' 16' ' ' CYS 0.332 0.4 OUTLIER -135.2 106.8 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.966 0 N-CA-C 107.316 -1.365 . . . . 0.0 107.316 177.947 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 p -57.38 146.51 62.89 Favored Pre-proline 0 C--N 1.344 0.339 0 C-N-CA 125.843 1.657 . . . . 0.0 110.691 -165.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -60.98 -29.71 88.49 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 122.121 1.88 . . . . 0.0 112.743 -172.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -54.05 -67.09 0.29 Allowed 'General case' 0 C--O 1.235 0.292 0 C-N-CA 124.534 1.134 . . . . 0.0 109.546 169.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.9 p -66.53 -29.78 69.95 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 118.888 -0.577 . . . . 0.0 110.732 -175.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.97 -33.21 74.21 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-N 118.585 0.63 . . . . 0.0 110.444 -179.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.4 m -77.43 -43.06 33.78 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.921 1.289 . . . . 0.0 111.002 175.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -67.06 -32.98 74.53 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-N 118.668 0.667 . . . . 0.0 111.461 177.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 . . . . . 0 C--O 1.251 1.184 0 C-N-CA 128.421 2.688 . . . . 0.0 111.236 -164.522 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.467 0.708 0 N-CA-C 108.793 -1.723 . . . . 0.0 108.793 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 32.9 t -149.23 172.34 15.01 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 118.116 0.958 . . . . 0.0 110.009 -169.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -75.86 -18.74 59.32 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.676 0.791 . . . . 0.0 111.083 161.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 56.0 tpp -66.68 134.64 52.68 Favored 'General case' 0 C--O 1.234 0.241 0 N-CA-C 107.829 -1.174 . . . . 0.0 107.829 165.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -72.46 71.32 0.93 Allowed 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.012 0.925 . . . . 0.0 109.943 172.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -70.65 146.24 93.41 Favored Pre-proline 0 CA--C 1.541 0.625 0 C-N-CA 124.575 1.15 . . . . 0.0 111.141 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 64.7 Cg_endo -85.79 43.02 1.1 Allowed 'Trans proline' 0 CA--C 1.542 0.924 0 C-N-CA 124.949 3.766 . . . . 0.0 110.342 169.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 17.1 mp0 -127.91 -62.76 1.05 Allowed 'General case' 0 C--N 1.344 0.355 0 CA-C-O 117.195 -1.384 . . . . 0.0 110.303 -178.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.96 96.32 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 120.646 1.566 . . . . 0.0 112.043 176.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 43.3 m170 -128.33 170.21 13.34 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.39 1.076 . . . . 0.0 110.237 -173.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -137.52 97.12 3.38 Favored 'General case' 0 C--N 1.339 0.15 0 C-N-CA 124.836 1.255 . . . . 0.0 108.785 -166.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 50.1 mt -83.68 98.51 5.48 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.197 0 N-CA-C 105.858 -1.904 . . . . 0.0 105.858 170.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.13 109.78 1.95 Allowed 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 166.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 6.2 t -114.45 -171.59 1.95 Allowed 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.297 1.439 . . . . 0.0 108.162 170.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 21.5 m -122.09 158.35 25.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 166.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . 1.149 ' SG ' 'ZN ' ' B' ' 57' ' ' ' ZN' . 22.0 t -68.69 125.98 28.27 Favored 'General case' 0 N--CA 1.443 -0.811 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 174.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 31.8 t -46.79 -38.0 9.46 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.372 1.869 . . . . 0.0 112.484 178.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.16 -8.06 10.21 Favored 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 -170.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -112.41 -13.21 13.43 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.454 1.102 . . . . 0.0 113.117 175.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 23.0 t0 50.15 27.83 2.76 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 126.796 2.038 . . . . 0.0 113.1 -172.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.34 147.97 18.82 Favored Glycine 0 C--N 1.34 0.776 0 N-CA-C 109.996 -1.242 . . . . 0.0 109.996 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -62.54 120.16 10.6 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 125.944 1.698 . . . . 0.0 109.312 -176.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 8.1 mt -122.33 118.72 56.23 Favored 'Isoleucine or valine' 0 C--N 1.341 0.197 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 172.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 71.9 tt0 -82.82 88.61 6.77 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 124.789 1.236 . . . . 0.0 109.021 171.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.9 mt -72.61 99.72 2.61 Favored 'General case' 0 C--O 1.233 0.221 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 -174.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 11.5 m -82.48 97.76 8.57 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 2.5 m -116.58 130.05 72.06 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 N-CA-C 103.847 -2.649 . . . . 0.0 103.847 -177.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -105.9 102.13 11.59 Favored 'General case' 0 N--CA 1.449 -0.523 0 N-CA-C 106.199 -1.778 . . . . 0.0 106.199 -171.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 2.7 t -166.45 160.78 15.8 Favored 'General case' 0 C--N 1.341 0.211 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 177.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 16.6 m -52.33 143.66 14.49 Favored 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.321 1.049 . . . . 0.0 110.428 176.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.14 -42.15 69.23 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -169.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.75 -30.58 68.2 Favored 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -178.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -71.0 -46.53 62.1 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.465 1.106 . . . . 0.0 108.56 176.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.2 -36.54 66.05 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 126.312 1.845 . . . . 0.0 112.192 170.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -80.2 -39.9 28.24 Favored 'General case' 0 CA--C 1.508 -0.66 0 C-N-CA 127.285 2.234 . . . . 0.0 109.985 -175.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 49.2 m -55.25 -51.41 66.71 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 168.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 1.3 tp -54.75 -35.62 63.94 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 125.442 1.497 . . . . 0.0 112.153 169.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -68.2 -31.35 70.8 Favored 'General case' 0 CA--C 1.533 0.294 0 O-C-N 119.892 -1.755 . . . . 0.0 111.298 174.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -69.82 -35.25 74.63 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 119.026 0.83 . . . . 0.0 109.235 173.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 42.7 mt -60.77 -38.33 84.9 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 118.848 -0.596 . . . . 0.0 110.787 169.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -62.94 -46.31 88.36 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 119.096 0.862 . . . . 0.0 110.72 173.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 68.8 mt -66.08 -23.96 66.62 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.334 0.654 . . . . 0.0 112.23 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 28.9 t -76.81 -71.55 0.39 Allowed 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.14 1.776 . . . . 0.0 110.687 174.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 42.0 p -147.44 -32.28 0.29 Allowed 'General case' 0 C--O 1.235 0.319 0 C-N-CA 125.01 1.324 . . . . 0.0 113.607 -174.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.566 HD12 ' HB2' ' A' ' 29' ' ' SER . 28.7 tp -57.56 131.99 51.85 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.63 0.772 . . . . 0.0 109.6 -168.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 15.8 m -138.53 154.21 48.76 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 176.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -114.6 156.08 25.35 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 121.789 0.804 . . . . 0.0 109.346 -172.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.56 ' CG2' ' HG3' ' A' ' 28' ' ' GLU . 2.1 t -141.19 90.01 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 N-CA-C 102.793 -3.04 . . . . 0.0 102.793 -158.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 1.1 p -51.43 147.16 10.99 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 114.791 -1.095 . . . . 0.0 108.795 -175.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -56.76 -28.03 74.21 Favored 'Trans proline' 0 C--N 1.351 0.659 0 CA-C-N 120.74 1.3 . . . . 0.0 112.92 -175.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 17.6 t90 -55.93 -59.61 4.65 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.379 1.072 . . . . 0.0 111.57 167.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.475 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 0.8 OUTLIER -66.59 -32.59 74.02 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 118.567 0.621 . . . . 0.0 111.434 -178.589 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.57 -40.8 98.03 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 117.653 0.206 . . . . 0.0 110.536 177.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 26.4 m -77.95 -52.09 9.36 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.109 1.364 . . . . 0.0 111.267 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.06 -49.05 25.82 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.62 0.768 . . . . 0.0 110.557 -174.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.254 1.329 0 C-N-CA 127.685 2.394 . . . . 0.0 111.751 -172.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ' ZN' . . . . . 1.149 'ZN ' ' SG ' ' B' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.148 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.2 t -151.51 168.0 26.28 Favored 'General case' 0 CA--C 1.531 0.223 0 N-CA-C 107.489 -1.3 . . . . 0.0 107.489 172.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -116.82 9.94 14.05 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.644 1.578 . . . . 0.0 110.475 170.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.2 ttt 71.56 148.81 0.09 Allowed 'General case' 0 C--N 1.346 0.414 0 C-N-CA 128.091 2.556 . . . . 0.0 109.742 -158.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -150.92 168.09 25.56 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 126.688 1.995 . . . . 0.0 105.948 166.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -140.65 160.78 57.68 Favored Pre-proline 0 C--O 1.238 0.484 0 C-N-CA 125.019 1.328 . . . . 0.0 107.86 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -73.08 69.47 3.88 Favored 'Trans proline' 0 CA--C 1.538 0.714 0 C-N-CA 123.585 2.856 . . . . 0.0 110.398 177.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -129.48 -74.22 0.56 Allowed 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 126.255 1.822 . . . . 0.0 107.192 -177.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.47 96.8 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 125.853 1.661 . . . . 0.0 110.259 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 45.5 m170 -123.14 156.45 35.0 Favored 'General case' 0 CA--C 1.523 -0.081 0 C-N-CA 123.987 0.915 . . . . 0.0 109.974 -174.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -131.21 88.93 2.65 Favored 'General case' 0 N--CA 1.457 -0.097 0 C-N-CA 124.458 1.103 . . . . 0.0 108.648 -163.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.0 mt -83.54 100.23 6.88 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 N-CA-C 106.542 -1.651 . . . . 0.0 106.542 176.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tt -68.26 114.77 7.01 Favored 'General case' 0 N--CA 1.447 -0.604 0 O-C-N 120.779 -1.201 . . . . 0.0 108.844 174.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.4 t -131.04 -166.56 1.72 Allowed 'General case' 0 N--CA 1.447 -0.606 0 C-N-CA 125.868 1.667 . . . . 0.0 108.584 175.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.4 m -121.24 154.81 25.09 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 167.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.127 ' SG ' 'ZN ' ' A' ' 57' ' ' ' ZN' . 19.3 t -69.97 126.81 30.8 Favored 'General case' 0 N--CA 1.445 -0.693 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 171.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 9.1 t -51.62 -31.57 25.72 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 124.611 1.164 . . . . 0.0 113.025 -178.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.412 ' HE2' ' OE2' ' B' ' 28' ' ' GLU . 1.2 ptpm? -125.97 -2.74 7.1 Favored 'General case' 0 C--O 1.232 0.17 0 C-N-CA 125.119 1.368 . . . . 0.0 113.991 -162.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 m -108.68 -17.74 13.88 Favored 'General case' 0 N--CA 1.449 -0.507 0 C-N-CA 124.372 1.069 . . . . 0.0 112.061 165.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.0 t0 38.94 57.92 1.84 Allowed 'General case' 0 C--N 1.344 0.344 0 C-N-CA 126.114 1.766 . . . . 0.0 111.474 -160.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -131.3 149.71 19.29 Favored Glycine 0 C--N 1.338 0.658 0 N-CA-C 109.583 -1.407 . . . . 0.0 109.583 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -61.81 115.57 4.11 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 127.062 2.145 . . . . 0.0 109.374 -173.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.4 mt -112.43 118.21 57.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 107.649 -1.241 . . . . 0.0 107.649 167.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -78.02 86.75 4.19 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 162.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 55.6 mt -65.03 96.67 0.2 Allowed 'General case' 0 C--N 1.344 0.346 0 N-CA-C 108.045 -1.095 . . . . 0.0 108.045 -170.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.2 m -88.13 95.87 10.31 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 -177.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.0 m -113.47 143.43 23.17 Favored 'Isoleucine or valine' 0 C--O 1.234 0.279 0 N-CA-C 105.012 -2.218 . . . . 0.0 105.012 177.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -107.72 88.71 2.8 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 103.093 -2.928 . . . . 0.0 103.093 -169.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 26.3 m -151.21 128.3 11.13 Favored 'General case' 0 N--CA 1.443 -0.804 0 O-C-N 120.327 -1.483 . . . . 0.0 111.249 -158.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.0 m -60.72 140.36 57.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 118.027 -0.987 . . . . 0.0 108.631 -174.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.67 -37.67 29.53 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -162.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -97.53 -17.12 19.77 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 122.538 1.161 . . . . 0.0 113.645 -175.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -70.95 -39.24 72.71 Favored 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 124.573 1.149 . . . . 0.0 108.419 163.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.509 ' HA ' HD23 ' A' ' 37' ' ' LEU . 4.6 tt -64.05 -42.08 97.15 Favored 'General case' 0 C--O 1.22 -0.495 0 C-N-CA 125.617 1.567 . . . . 0.0 110.697 172.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -58.68 -45.52 89.27 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 126.158 1.783 . . . . 0.0 109.567 172.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 33.4 m -57.5 -50.18 73.89 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 174.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -54.82 -36.78 65.35 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 124.265 1.026 . . . . 0.0 111.787 170.306 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.6 tt0 -68.64 -30.0 68.61 Favored 'General case' 0 CA--C 1.534 0.359 0 O-C-N 120.286 -1.508 . . . . 0.0 110.492 177.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 -69.88 -35.45 74.67 Favored 'General case' 0 N--CA 1.451 -0.394 0 O-C-N 121.488 -0.758 . . . . 0.0 109.638 171.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.413 ' HA ' ' HB3' ' A' ' 43' ' ' SER . 71.4 mt -64.24 -27.91 69.37 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 118.648 0.658 . . . . 0.0 112.057 169.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -65.04 -47.9 75.76 Favored 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 124.834 1.254 . . . . 0.0 110.39 169.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 78.8 mt -67.76 -25.81 65.8 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.9 0.88 . . . . 0.0 112.859 176.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.413 ' HB3' ' HA ' ' A' ' 40' ' ' LEU . 6.4 t -65.65 -81.96 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 126.822 2.049 . . . . 0.0 109.233 170.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 58.2 p -139.07 -14.88 1.15 Allowed 'General case' 0 C--N 1.345 0.38 0 N-CA-C 116.319 1.97 . . . . 0.0 116.319 178.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.2 tt -71.81 105.41 3.77 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -166.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.1 p -90.32 173.17 8.27 Favored 'General case' 0 N--CA 1.446 -0.632 0 N-CA-C 107.608 -1.256 . . . . 0.0 107.608 158.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -126.82 149.9 49.46 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 122.046 0.927 . . . . 0.0 111.18 -176.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 24.8 t -143.5 91.33 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 C-N-CA 128.176 2.591 . . . . 0.0 107.61 -162.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.2 p -58.19 157.58 16.47 Favored Pre-proline 0 CA--C 1.544 0.713 0 C-N-CA 125.237 1.415 . . . . 0.0 112.02 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.419 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 12.5 Cg_endo -56.6 -27.48 69.94 Favored 'Trans proline' 0 CA--C 1.545 1.044 0 C-N-CA 122.116 1.878 . . . . 0.0 115.597 -173.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -58.82 -67.09 0.4 Allowed 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.775 1.23 . . . . 0.0 110.12 174.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.436 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 19.1 p -66.52 -25.25 66.58 Favored 'General case' 0 CA--C 1.508 -0.659 0 CA-C-O 118.645 -0.693 . . . . 0.0 111.996 177.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.419 ' HB3' ' HA ' ' A' ' 50' ' ' PRO . . . -62.77 -33.52 75.33 Favored 'General case' 0 N--CA 1.438 -1.071 0 C-N-CA 118.698 -1.201 . . . . 0.0 110.247 175.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.7 m -76.88 -48.57 17.92 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.469 1.508 . . . . 0.0 110.81 173.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -72.8 -46.89 50.81 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 118.429 -0.795 . . . . 0.0 112.642 -171.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 32.4 tp60 . . . . . 0 C--O 1.253 1.269 1 C-N-CA 134.289 5.036 . . . . 0.0 110.542 -176.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.261 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 67.1 p -121.75 173.85 7.21 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 118.509 1.154 . . . . 0.0 109.524 172.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 13.3 m80 -82.26 -41.99 19.45 Favored 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 124.595 1.158 . . . . 0.0 108.403 176.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 1.2 pmm? -154.99 -163.3 1.53 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.842 2.057 . . . . 0.0 107.836 170.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -81.29 115.7 20.79 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 158.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -139.6 145.02 41.72 Favored Pre-proline 0 CA--C 1.537 0.461 0 C-N-CA 123.657 0.783 . . . . 0.0 110.493 -158.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -81.5 41.41 1.13 Allowed 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 124.98 3.787 . . . . 0.0 112.644 -162.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 -128.1 -56.33 1.26 Allowed 'General case' 0 C--O 1.224 -0.275 0 C-N-CA 125.307 1.443 . . . . 0.0 109.589 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.7 89.73 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 125.844 1.657 . . . . 0.0 111.609 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 57.8 m170 -127.53 167.88 15.7 Favored 'General case' 0 CA--C 1.53 0.189 0 C-N-CA 125.463 1.505 . . . . 0.0 110.062 -168.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.79 96.76 3.13 Favored 'General case' 0 C--N 1.339 0.127 0 C-N-CA 123.868 0.867 . . . . 0.0 109.482 -161.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 38.4 mt -88.13 99.57 9.07 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 173.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 tt -66.41 118.31 9.88 Favored 'General case' 0 N--CA 1.447 -0.595 0 O-C-N 120.651 -1.281 . . . . 0.0 108.698 171.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 t -126.64 -173.7 2.94 Favored 'General case' 0 N--CA 1.445 -0.698 0 C-N-CA 126.138 1.775 . . . . 0.0 108.348 171.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 15.3 m -125.39 154.76 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 169.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . 0.412 ' SG ' ' SG ' ' B' ' 52' ' ' CYS . 12.7 t -72.01 131.58 43.09 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.146 -178.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 7.5 t -59.45 -39.01 82.22 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -173.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.98 -15.13 18.4 Favored 'General case' 0 C--N 1.342 0.263 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -168.678 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 27.2 p -137.25 2.48 2.52 Favored 'General case' 0 N--CA 1.45 -0.451 0 N-CA-C 113.996 1.11 . . . . 0.0 113.996 -173.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 20.3 t0 55.14 20.37 3.31 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 126.606 1.963 . . . . 0.0 113.916 178.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.6 146.11 38.21 Favored Glycine 0 C--N 1.34 0.75 0 N-CA-C 109.624 -1.391 . . . . 0.0 109.624 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.2 tmt_? -66.23 116.65 7.51 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 124.968 1.307 . . . . 0.0 108.558 178.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 3.1 mt -122.42 111.26 29.6 Favored 'Isoleucine or valine' 0 C--N 1.341 0.22 0 CA-C-N 118.819 0.736 . . . . 0.0 109.113 176.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -77.86 87.04 4.08 Favored 'General case' 0 C--O 1.237 0.44 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 167.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 48.9 mt -66.54 96.31 0.37 Allowed 'General case' 0 CA--C 1.516 -0.328 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 -173.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 38.9 m -88.98 101.72 14.36 Favored 'General case' 0 N--CA 1.438 -1.058 0 N-CA-C 106.566 -1.642 . . . . 0.0 106.566 -174.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 7.6 m -120.69 140.85 43.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 105.021 -2.214 . . . . 0.0 105.021 -176.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.412 ' OE2' ' HE2' ' A' ' 18' ' ' LYS . 4.1 tt0 -112.23 80.25 1.31 Allowed 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 104.931 -2.248 . . . . 0.0 104.931 -160.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.4 t -152.19 155.69 38.29 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.343 0.592 . . . . 0.0 111.537 -173.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.0 m -52.42 143.54 15.06 Favored 'General case' 0 N--CA 1.45 -0.431 0 C-N-CA 126.364 1.865 . . . . 0.0 109.935 178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.61 -36.03 61.55 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 113.41 0.893 . . . . 0.0 113.41 -165.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.64 -16.06 23.48 Favored 'General case' 0 C--O 1.233 0.215 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 -176.06 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -67.51 -42.62 82.52 Favored 'General case' 0 N--CA 1.447 -0.582 0 C-N-CA 123.86 0.864 . . . . 0.0 108.721 162.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.446 ' HA ' HD23 ' B' ' 37' ' ' LEU . 0.7 OUTLIER -60.4 -45.22 94.36 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 124.513 1.125 . . . . 0.0 110.42 172.628 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 72.2 ttt180 -60.69 -48.12 83.21 Favored 'General case' 0 CA--C 1.511 -0.527 0 C-N-CA 126.296 1.839 . . . . 0.0 108.463 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 36.0 m -56.92 -47.26 81.01 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 178.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -67.49 -28.74 68.1 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 118.782 0.719 . . . . 0.0 112.602 176.121 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -65.13 -35.62 81.67 Favored 'General case' 0 CA--C 1.537 0.449 0 O-C-N 121.087 -1.008 . . . . 0.0 108.953 171.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -67.8 -36.37 80.31 Favored 'General case' 0 C--N 1.343 0.307 0 CA-C-N 119.203 0.91 . . . . 0.0 109.983 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 60.1 mt -57.95 -44.96 87.28 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 118.823 0.738 . . . . 0.0 110.354 169.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -62.57 -42.74 99.74 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 119.104 0.865 . . . . 0.0 111.153 177.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 45.1 mt -64.94 -30.05 71.02 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.557 0.743 . . . . 0.0 112.1 176.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 22.0 t -79.5 -56.14 4.54 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.865 1.266 . . . . 0.0 111.572 178.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.9 p -149.48 -30.64 0.23 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 125.652 1.581 . . . . 0.0 115.265 -158.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 tp -93.68 155.86 17.02 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 114.914 1.45 . . . . 0.0 114.914 -158.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.8 p -140.91 176.5 8.75 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.77 1.628 . . . . 0.0 110.176 -179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -137.46 155.46 49.29 Favored 'General case' 0 C--O 1.237 0.409 0 O-C-N 120.817 -1.177 . . . . 0.0 109.101 178.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . 0.256 1.5 t -139.46 103.31 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.828 0 C-N-CA 125.606 1.563 . . . . 0.0 107.543 -174.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 4.2 p -60.11 147.23 81.17 Favored Pre-proline 0 N--CA 1.47 0.563 0 C-N-CA 125.311 1.444 . . . . 0.0 110.538 -172.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -59.75 -30.93 93.24 Favored 'Trans proline' 0 C--N 1.351 0.661 0 C-N-CA 122.386 2.058 . . . . 0.0 113.88 -171.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 20.2 t90 -58.79 -59.74 4.95 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 123.85 0.86 . . . . 0.0 109.875 173.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.412 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 0.5 OUTLIER -68.94 -29.41 67.64 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 119.126 -0.464 . . . . 0.0 110.681 -178.197 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.34 -33.53 76.19 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 123.196 0.599 . . . . 0.0 111.075 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 39.5 m -73.92 -47.05 40.49 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.379 1.471 . . . . 0.0 110.331 174.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -70.16 -44.89 67.89 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 123.21 0.604 . . . . 0.0 111.898 -175.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.254 1.313 0 C-N-CA 129.854 3.262 . . . . 0.0 114.081 173.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . 1.127 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.094 0 N-CA-C 108.958 -1.657 . . . . 0.0 108.958 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.7 p -72.41 38.13 0.07 Allowed 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.218 1.407 . . . . 0.0 111.955 170.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 176.36 152.46 0.17 Allowed 'General case' 0 C--O 1.238 0.488 0 C-N-CA 128.831 2.853 . . . . 0.0 106.22 -162.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 52.8 tpp -155.81 151.62 27.42 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.353 1.061 . . . . 0.0 108.14 177.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.25 152.23 30.07 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 125.254 1.422 . . . . 0.0 107.351 164.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 -143.11 157.18 61.04 Favored Pre-proline 0 CA--C 1.536 0.433 0 N-CA-C 106.381 -1.711 . . . . 0.0 106.381 166.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 94.0 Cg_endo -70.81 166.33 29.26 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 N-CA-C 105.77 -2.435 . . . . 0.0 105.77 158.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . 0.253 1.0 OUTLIER 69.08 -70.32 0.14 Allowed 'General case' 0 N--CA 1.438 -1.041 0 C-N-CA 124.947 1.299 . . . . 0.0 109.412 -177.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.06 87.92 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 126.638 1.975 . . . . 0.0 112.633 -174.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -121.73 162.05 21.5 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.464 1.105 . . . . 0.0 109.79 -173.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -136.63 96.22 3.3 Favored 'General case' 0 CA--C 1.523 -0.075 0 C-N-CA 123.48 0.712 . . . . 0.0 109.802 -161.341 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.4 mt -87.51 101.36 11.28 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.253 0 N-CA-C 106.479 -1.674 . . . . 0.0 106.479 174.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.3 tt -65.55 115.22 5.53 Favored 'General case' 0 N--CA 1.447 -0.599 0 O-C-N 120.811 -1.181 . . . . 0.0 108.392 171.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.5 t -133.58 -166.37 1.77 Allowed 'General case' 0 N--CA 1.444 -0.746 0 C-N-CA 126.393 1.877 . . . . 0.0 108.228 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.3 m -118.73 157.72 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 166.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.149 ' SG ' 'ZN ' ' A' ' 57' ' ' ' ZN' . 38.1 t -65.33 130.73 44.37 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 167.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 18.0 t -49.73 -36.01 24.11 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 125.289 1.436 . . . . 0.0 112.545 -178.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.37 -16.09 7.95 Favored 'General case' 0 C--N 1.343 0.291 0 N-CA-C 114.961 1.467 . . . . 0.0 114.961 -172.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 m -92.12 -17.62 24.69 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 119.375 0.989 . . . . 0.0 112.057 170.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 26.1 t0 49.13 34.55 6.02 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.443 1.497 . . . . 0.0 111.815 -169.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -106.96 147.34 16.19 Favored Glycine 0 C--N 1.34 0.788 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 -178.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -59.53 112.8 1.92 Allowed 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 126.371 1.868 . . . . 0.0 108.827 -174.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.9 mt -113.18 122.84 68.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 167.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.0 tt0 -79.74 86.7 5.3 Favored 'General case' 0 N--CA 1.447 -0.59 0 N-CA-C 107.653 -1.239 . . . . 0.0 107.653 162.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 72.1 mt -64.08 95.95 0.13 Allowed 'General case' 0 C--N 1.344 0.366 0 C-N-CA 124.573 1.149 . . . . 0.0 108.034 -170.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 56.8 m -89.63 87.39 7.0 Favored 'General case' 0 N--CA 1.442 -0.874 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 -172.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 16.7 m -106.31 145.07 14.56 Favored 'Isoleucine or valine' 0 C--O 1.234 0.26 0 N-CA-C 104.949 -2.241 . . . . 0.0 104.949 -179.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . 0.269 1.7 tt0 -111.76 103.84 12.13 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 101.458 -3.534 . . . . 0.0 101.458 -169.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . 0.284 31.7 m -157.68 142.15 16.32 Favored 'General case' 0 C--O 1.221 -0.424 0 O-C-N 118.796 -2.44 . . . . 0.0 110.397 -158.041 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.3 m -67.68 147.16 53.05 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 121.131 1.787 . . . . 0.0 107.105 173.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.34 -32.51 64.76 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 -163.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -101.45 -16.54 16.81 Favored 'General case' 0 C--O 1.235 0.306 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 -177.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -65.81 -41.41 91.91 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 107.329 -1.36 . . . . 0.0 107.329 161.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.428 ' HA ' HD23 ' A' ' 37' ' ' LEU . 5.9 tt -61.26 -51.68 67.91 Favored 'General case' 0 C--O 1.22 -0.496 0 C-N-CA 125.906 1.683 . . . . 0.0 110.781 172.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 69.7 ttt180 -52.17 -48.54 64.91 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 125.721 1.608 . . . . 0.0 108.654 177.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 39.7 m -57.54 -50.96 71.37 Favored 'General case' 0 CA--C 1.537 0.471 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 178.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -50.83 -41.37 57.56 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.552 1.141 . . . . 0.0 111.409 171.644 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -70.73 -31.55 68.42 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 125.262 1.425 . . . . 0.0 109.83 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -69.51 -33.85 73.42 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 119.388 0.994 . . . . 0.0 109.86 172.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.29 -49.62 76.49 Favored 'General case' 0 C--N 1.343 0.31 0 CA-C-N 118.732 0.696 . . . . 0.0 109.954 167.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -58.49 -42.21 87.09 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 118.472 0.578 . . . . 0.0 111.622 177.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.1 tt -61.05 -35.75 77.73 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.63 1.172 . . . . 0.0 111.639 174.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.4 t -85.52 -55.88 3.79 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 124.417 1.087 . . . . 0.0 112.479 -174.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.0 p -141.26 -19.06 0.79 Allowed 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 126.103 1.761 . . . . 0.0 115.605 -158.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.0 mp -115.92 164.12 14.87 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 115.902 1.816 . . . . 0.0 115.902 -158.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 45.1 m -159.32 174.25 15.04 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.009 1.324 . . . . 0.0 110.496 171.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.21 152.71 35.16 Favored 'General case' 0 C--O 1.236 0.355 0 C-N-CA 125.194 1.398 . . . . 0.0 108.718 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 8.6 t -136.11 100.34 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.045 0 C-N-CA 127.692 2.397 . . . . 0.0 105.832 -171.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.3 p -58.76 156.62 23.56 Favored Pre-proline 0 CA--C 1.538 0.511 0 C-N-CA 125.346 1.458 . . . . 0.0 111.656 -170.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.434 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 19.1 Cg_endo -58.36 -27.15 80.33 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.555 2.17 . . . . 0.0 114.361 -173.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 16.6 t90 -59.41 -66.77 0.46 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.335 1.054 . . . . 0.0 110.315 173.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 18.8 p -65.01 -27.89 69.13 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 118.97 0.805 . . . . 0.0 111.588 176.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.434 ' HB3' ' HA ' ' A' ' 50' ' ' PRO . . . -60.54 -33.76 73.15 Favored 'General case' 0 N--CA 1.441 -0.89 0 C-N-CA 118.717 -1.193 . . . . 0.0 110.108 177.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 20.6 m -78.52 -46.71 18.9 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.667 1.587 . . . . 0.0 111.904 172.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.63 -19.3 22.02 Favored 'General case' 0 N--CA 1.483 1.181 0 N-CA-C 114.704 1.372 . . . . 0.0 114.704 -166.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 . . . . . 0 C--O 1.253 1.246 0 CA-C-O 115.015 -2.421 . . . . 0.0 107.908 -158.527 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 1.015 0 N-CA-C 106.888 -2.485 . . . . 0.0 106.888 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 4.2 p -57.12 163.01 2.28 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 139.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 25.9 p80 -158.5 169.95 23.3 Favored 'General case' 0 C--O 1.235 0.305 0 C-N-CA 126.5 1.92 . . . . 0.0 106.829 177.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 11.9 ptm -74.34 145.19 44.06 Favored 'General case' 0 C--O 1.236 0.345 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 167.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -160.29 152.8 20.88 Favored 'General case' 0 N--CA 1.448 -0.558 0 N-CA-C 106.53 -1.656 . . . . 0.0 106.53 158.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -154.9 153.98 28.27 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.499 -160.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 40.3 Cg_endo -81.78 43.92 1.62 Allowed 'Trans proline' 0 CA--C 1.537 0.67 0 C-N-CA 124.481 3.454 . . . . 0.0 109.658 179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -139.36 -65.81 0.47 Allowed 'General case' 0 N--CA 1.446 -0.653 0 C-N-CA 125.362 1.465 . . . . 0.0 108.526 -159.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.42 87.1 0.02 OUTLIER 'General case' 0 C--O 1.231 0.128 0 C-N-CA 125.613 1.565 . . . . 0.0 113.072 -174.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -122.76 165.97 15.71 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.056 0.942 . . . . 0.0 110.182 -169.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 37.9 mtmt -142.65 96.74 2.99 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 122.903 0.481 . . . . 0.0 110.013 -158.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 39.6 mt -84.0 103.44 11.23 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.251 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 175.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 tt -66.84 116.55 7.84 Favored 'General case' 0 N--CA 1.45 -0.466 0 O-C-N 120.509 -1.369 . . . . 0.0 108.587 173.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 13.6 t -124.98 -174.25 3.0 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.898 1.679 . . . . 0.0 108.864 175.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 28.9 m -113.77 162.23 12.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.311 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 158.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . 1.144 ' SG ' 'ZN ' ' B' ' 57' ' ' ' ZN' . 49.5 t -65.29 126.09 27.09 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 161.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 4.7 t -58.46 -28.58 65.46 Favored 'General case' 0 CA--C 1.537 0.459 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -178.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -122.87 -19.92 6.01 Favored 'General case' 0 C--N 1.343 0.287 0 N-CA-C 114.332 1.234 . . . . 0.0 114.332 -170.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 18.5 m -89.36 -15.32 33.6 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 119.358 0.981 . . . . 0.0 112.064 166.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 32.0 t0 42.58 56.23 3.91 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 126.468 1.907 . . . . 0.0 111.924 -172.262 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -127.38 151.48 18.45 Favored Glycine 0 C--N 1.337 0.6 0 N-CA-C 109.405 -1.478 . . . . 0.0 109.405 174.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -64.8 129.69 40.71 Favored 'General case' 0 C--O 1.231 0.115 0 C-N-CA 126.073 1.749 . . . . 0.0 109.298 -174.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 13.2 mt -129.45 143.82 39.98 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.19 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 171.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 77.3 tt0 -110.48 86.95 2.41 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 107.333 -1.358 . . . . 0.0 107.333 178.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 76.0 mt -69.58 98.51 1.16 Allowed 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 114.5 -1.227 . . . . 0.0 108.715 -162.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 57.8 m -88.22 93.49 9.52 Favored 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 -169.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 29.8 m -106.1 123.16 60.58 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 N-CA-C 104.843 -2.28 . . . . 0.0 104.843 -179.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -88.42 98.28 11.53 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 103.088 -2.931 . . . . 0.0 103.088 -179.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 45.3 m -153.25 138.92 17.86 Favored 'General case' 0 N--CA 1.446 -0.627 0 C-N-CA 124.104 0.962 . . . . 0.0 111.032 -158.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 47.5 m -60.44 141.61 56.17 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 175.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.41 -40.05 58.54 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 -167.13 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -92.46 -10.88 36.28 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 121.958 0.885 . . . . 0.0 113.368 -175.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -79.63 -35.96 38.65 Favored 'General case' 0 N--CA 1.44 -0.964 0 C-N-CA 124.969 1.308 . . . . 0.0 108.429 167.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.469 ' HA ' HD23 ' B' ' 37' ' ' LEU . 1.2 tt -59.2 -47.09 86.6 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.426 1.091 . . . . 0.0 109.705 165.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 65.9 ttt180 -57.69 -49.96 74.78 Favored 'General case' 0 CA--C 1.514 -0.405 0 C-N-CA 125.304 1.442 . . . . 0.0 108.027 177.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 88.4 m -55.77 -52.06 65.26 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 123.325 0.65 . . . . 0.0 109.677 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.469 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.2 OUTLIER -64.94 -28.32 69.45 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 118.47 0.577 . . . . 0.0 111.977 178.113 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -67.9 -32.82 73.56 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 120.581 -1.324 . . . . 0.0 109.715 171.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 21.9 mm-40 -68.32 -34.55 76.33 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 119.594 1.088 . . . . 0.0 109.597 172.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 23.9 mt -59.83 -41.07 90.52 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.822 167.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -59.65 -45.13 92.95 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 119.8 1.182 . . . . 0.0 110.425 174.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 60.8 mt -65.35 -20.32 66.34 Favored 'General case' 0 CA--C 1.542 0.64 0 N-CA-C 112.834 0.679 . . . . 0.0 112.834 175.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 8.4 t -80.8 -77.64 0.2 Allowed 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.17 1.788 . . . . 0.0 110.906 172.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 1.3 p -143.68 1.64 1.18 Allowed 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 -172.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.01 148.31 22.29 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 122.303 1.049 . . . . 0.0 112.609 -172.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.7 p -147.87 178.53 8.43 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 130.025 3.33 . . . . 0.0 107.776 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 34.0 t80 -135.86 158.29 44.76 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 120.137 -1.602 . . . . 0.0 110.12 176.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.453 HG13 ' SG ' ' B' ' 52' ' ' CYS . 5.1 t -140.32 104.89 1.83 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.162 0 C-N-CA 126.407 1.883 . . . . 0.0 107.138 -171.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 2.7 p -58.01 156.33 20.32 Favored Pre-proline 0 CA--C 1.538 0.509 0 C-N-CA 124.142 0.977 . . . . 0.0 112.221 -173.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . 0.437 ' HA ' ' HB3' ' B' ' 53' ' ' ALA . 18.3 Cg_endo -58.41 -22.44 58.65 Favored 'Trans proline' 0 CA--C 1.539 0.764 0 C-N-CA 122.169 1.912 . . . . 0.0 113.974 178.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -57.22 -67.69 0.3 Allowed 'General case' 0 CA--C 1.532 0.287 0 C-N-CA 124.763 1.225 . . . . 0.0 110.035 170.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.453 ' SG ' HG13 ' B' ' 48' ' ' VAL . 1.8 p -66.54 -23.89 66.29 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-N 119.121 0.873 . . . . 0.0 112.535 177.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.437 ' HB3' ' HA ' ' B' ' 50' ' ' PRO . . . -60.88 -41.09 95.31 Favored 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 118.35 -1.34 . . . . 0.0 109.767 174.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 22.0 m -76.9 -47.38 21.3 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.984 1.713 . . . . 0.0 111.627 178.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -79.69 -55.28 5.12 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.406 1.082 . . . . 0.0 111.69 -173.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 41.6 tp60 . . . . . 0 C--O 1.252 1.235 1 C-N-CA 134.22 5.008 . . . . 0.0 108.225 -160.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . 1.149 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ' ZN' . . . . . 1.144 'ZN ' ' SG ' ' B' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.129 0 N-CA-C 107.335 -2.306 . . . . 0.0 107.335 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 t -67.79 -179.56 1.18 Allowed 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 139.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.1 m80 43.81 48.78 6.93 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.359 1.864 . . . . 0.0 111.825 -172.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 28.4 ttt -152.7 150.05 29.04 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.217 1.007 . . . . 0.0 108.793 -175.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 65.27 25.52 12.22 Favored 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 126.912 2.085 . . . . 0.0 115.841 169.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -89.12 160.41 43.1 Favored Pre-proline 0 CA--C 1.538 0.505 0 C-N-CA 123.016 0.526 . . . . 0.0 110.24 -178.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -67.38 170.05 14.28 Favored 'Trans proline' 0 N--CA 1.456 -0.678 0 C-N-CA 121.966 1.778 . . . . 0.0 110.432 168.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 57.13 -60.07 0.03 OUTLIER 'General case' 0 N--CA 1.431 -1.393 0 C-N-CA 129.916 3.287 . . . . 0.0 111.948 -167.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.8 ttm-85 -59.13 84.98 0.01 OUTLIER 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 121.158 1.799 . . . . 0.0 111.785 -176.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -120.89 165.7 14.83 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.298 1.039 . . . . 0.0 109.321 -169.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.26 97.67 3.54 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.428 0.691 . . . . 0.0 109.523 -164.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 72.4 mt -83.51 96.6 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 106.039 -1.837 . . . . 0.0 106.039 172.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.9 tt -64.47 113.33 3.6 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 169.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.1 t -122.69 -169.66 1.95 Allowed 'General case' 0 N--CA 1.447 -0.604 0 C-N-CA 124.953 1.301 . . . . 0.0 108.534 171.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.2 m -121.07 156.38 24.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 165.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.151 ' SG ' 'ZN ' ' A' ' 57' ' ' ' ZN' . 30.6 t -66.72 125.29 25.36 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 170.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 37.3 t -48.89 -35.79 15.61 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.192 1.397 . . . . 0.0 112.78 -177.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -115.51 -11.3 11.8 Favored 'General case' 0 C--N 1.342 0.269 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -173.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.8 m -103.27 -15.1 16.08 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-N 119.6 1.091 . . . . 0.0 112.397 173.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.7 t0 49.47 29.01 2.67 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.481 1.912 . . . . 0.0 112.454 -168.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.57 143.46 16.73 Favored Glycine 0 C--N 1.34 0.785 0 N-CA-C 109.496 -1.442 . . . . 0.0 109.496 -177.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -62.45 115.87 4.6 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 126.615 1.966 . . . . 0.0 109.259 -175.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 10.7 mt -118.65 119.12 60.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 172.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -84.1 85.78 7.3 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.991 0.916 . . . . 0.0 108.609 170.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.2 mt -68.85 97.48 0.84 Allowed 'General case' 0 CA--C 1.515 -0.368 0 C-N-CA 123.827 0.851 . . . . 0.0 108.891 -170.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.402 HG22 ' CG2' ' B' ' 48' ' ' VAL . 9.9 m -82.51 108.33 15.83 Favored 'General case' 0 N--CA 1.441 -0.905 0 N-CA-C 106.013 -1.847 . . . . 0.0 106.013 -177.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.5 m -125.1 120.43 58.34 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.348 0 N-CA-C 104.512 -2.403 . . . . 0.0 104.512 177.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -77.99 95.27 4.78 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 106.959 -1.497 . . . . 0.0 106.959 172.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -154.57 157.68 38.63 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 121.191 0.52 . . . . 0.0 110.732 169.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.9 m -54.51 148.63 11.83 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.482 1.513 . . . . 0.0 110.495 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.58 -43.74 76.27 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 121.676 -0.64 . . . . 0.0 112.245 -171.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -82.18 -20.56 37.58 Favored 'General case' 0 CA--C 1.535 0.37 0 O-C-N 121.628 -0.67 . . . . 0.0 112.695 -176.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -67.54 -46.33 73.09 Favored 'General case' 0 N--CA 1.448 -0.551 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 168.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.48 -36.72 74.18 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.159 1.783 . . . . 0.0 111.705 172.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 69.4 ttt180 -73.24 -44.38 59.57 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 127.305 2.242 . . . . 0.0 109.525 -178.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.2 m -56.71 -46.31 81.32 Favored 'General case' 0 CA--C 1.537 0.481 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 172.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.81 -37.19 75.82 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.495 1.518 . . . . 0.0 112.412 171.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -64.03 -33.67 76.28 Favored 'General case' 0 CA--C 1.537 0.462 0 O-C-N 119.851 -1.78 . . . . 0.0 110.085 172.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -70.88 -30.14 66.43 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.413 -0.805 . . . . 0.0 110.245 172.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.3 mt -65.21 -32.82 74.69 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 119.095 0.861 . . . . 0.0 112.167 169.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -62.91 -48.51 78.66 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.444 1.02 . . . . 0.0 110.181 168.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.8 mt -64.18 -24.87 67.83 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 3.5 t -68.42 -83.56 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 127.578 2.351 . . . . 0.0 109.594 167.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 68.0 p -139.86 -15.03 1.04 Allowed 'General case' 0 C--N 1.344 0.348 0 N-CA-C 115.59 1.7 . . . . 0.0 115.59 -177.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 tt -72.79 144.72 47.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 122.801 1.286 . . . . 0.0 112.81 -163.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.6 m -147.33 164.76 32.25 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 158.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 13.9 t80 -109.94 149.93 29.21 Favored 'General case' 0 N--CA 1.448 -0.533 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 -173.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . 0.301 2.2 t -138.84 103.49 2.08 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.093 0 C-N-CA 126.03 1.732 . . . . 0.0 107.375 -171.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.8 p -56.67 142.55 71.02 Favored Pre-proline 0 CA--C 1.534 0.358 0 C-N-CA 125.328 1.451 . . . . 0.0 109.808 -171.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -59.45 -28.1 86.67 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 121.595 1.53 . . . . 0.0 113.449 -168.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 37.7 t90 -56.59 -64.5 0.85 Allowed 'General case' 0 C--O 1.235 0.323 0 C-N-CA 124.874 1.269 . . . . 0.0 110.583 171.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 14.1 p -66.01 -30.68 71.27 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 118.24 0.473 . . . . 0.0 110.592 -178.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.37 -37.61 88.11 Favored 'General case' 0 N--CA 1.442 -0.851 0 O-C-N 123.139 0.274 . . . . 0.0 111.165 -177.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 31.3 m -75.83 -47.02 27.33 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.71 1.604 . . . . 0.0 110.397 177.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 17.1 m-80 -68.5 -50.77 49.79 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.052 0.541 . . . . 0.0 111.165 -176.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.067 0 C-N-CA 127.918 2.487 . . . . 0.0 112.111 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.091 0 N-CA-C 107.203 -2.359 . . . . 0.0 107.203 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 23.2 t 61.44 154.98 0.03 OUTLIER 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.183 0.593 . . . . 0.0 109.923 -131.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 13.1 m80 50.67 22.18 1.05 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.637 1.575 . . . . 0.0 112.771 -176.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 16.5 ptm -83.03 62.4 6.54 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 125.383 1.473 . . . . 0.0 113.274 -158.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.75 45.03 0.06 Allowed 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.016 1.726 . . . . 0.0 110.866 161.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -89.08 149.98 44.25 Favored Pre-proline 0 CA--C 1.539 0.542 0 C-N-CA 125.256 1.422 . . . . 0.0 110.237 -167.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -76.59 42.98 1.13 Allowed 'Trans proline' 0 CA--C 1.541 0.855 1 C-N-CA 125.31 4.007 . . . . 0.0 112.85 -171.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 15.5 mp0 -127.52 -52.43 1.37 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 125.958 1.703 . . . . 0.0 109.872 176.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.54 91.39 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 120.558 1.526 . . . . 0.0 110.539 -176.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 47.9 m170 -124.95 162.6 24.12 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.953 0.901 . . . . 0.0 109.543 -170.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.42 96.93 3.26 Favored 'General case' 0 CA--C 1.52 -0.202 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -161.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 57.7 mt -83.16 95.32 3.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 N-CA-C 105.665 -1.976 . . . . 0.0 105.665 170.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt -62.93 111.89 2.34 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 167.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 4.4 t -120.83 -172.22 2.34 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 124.981 1.313 . . . . 0.0 108.156 171.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 15.4 m -123.34 156.97 29.52 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.615 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 167.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . . . . . . . . . 26.9 t -64.3 121.78 15.11 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 168.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 5.5 t -56.47 -19.15 13.92 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.507 1.123 . . . . 0.0 113.318 -171.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -125.83 -19.07 4.97 Favored 'General case' 0 C--N 1.342 0.27 0 N-CA-C 115.718 1.747 . . . . 0.0 115.718 -171.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 14.5 p -114.99 0.38 13.66 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 120.224 1.375 . . . . 0.0 112.841 171.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 23.1 t0 56.61 21.48 5.81 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 126.589 1.956 . . . . 0.0 113.07 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.22 142.01 26.72 Favored Glycine 0 C--N 1.34 0.758 0 N-CA-C 109.31 -1.516 . . . . 0.0 109.31 -177.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.3 tmt_? -66.84 118.08 9.84 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 125.814 1.646 . . . . 0.0 109.294 -176.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 2.2 mt -125.17 112.76 32.66 Favored 'Isoleucine or valine' 0 C--N 1.341 0.203 0 CA-C-N 118.604 0.638 . . . . 0.0 109.498 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -83.52 83.96 7.7 Favored 'General case' 0 C--O 1.237 0.404 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 171.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 46.6 mt -67.89 96.75 0.61 Allowed 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.05 0.94 . . . . 0.0 108.54 -170.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 33.5 m -87.01 100.1 12.37 Favored 'General case' 0 N--CA 1.442 -0.85 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 -175.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 m -106.73 117.14 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 N-CA-C 103.085 -2.931 . . . . 0.0 103.085 176.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -84.59 96.77 9.28 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 104.715 -2.328 . . . . 0.0 104.715 175.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.6 t -157.31 156.55 32.59 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 123.199 0.6 . . . . 0.0 110.14 176.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 5.1 m -51.75 143.4 13.0 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 125.426 1.491 . . . . 0.0 110.093 178.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.36 -37.42 64.91 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -168.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -92.85 -15.43 26.47 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 113.883 1.068 . . . . 0.0 113.883 -175.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.93 -44.06 90.71 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 161.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.444 ' HA ' HD23 ' B' ' 37' ' ' LEU . 0.2 OUTLIER -61.6 -40.51 95.08 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.959 1.304 . . . . 0.0 111.838 173.615 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 67.4 ttt180 -65.73 -45.3 83.15 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 126.668 1.987 . . . . 0.0 109.06 179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 27.9 m -56.49 -46.56 80.42 Favored 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 173.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -59.29 -35.62 74.08 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.959 1.304 . . . . 0.0 112.586 172.175 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -66.72 -31.67 72.48 Favored 'General case' 0 CA--C 1.539 0.541 0 O-C-N 119.955 -1.716 . . . . 0.0 110.331 172.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -71.42 -30.14 65.72 Favored 'General case' 0 CA--C 1.535 0.398 0 O-C-N 121.098 -1.001 . . . . 0.0 109.846 171.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.416 ' HA ' ' HB3' ' B' ' 43' ' ' SER . 81.6 mt -67.52 -30.61 70.32 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 118.726 0.694 . . . . 0.0 111.974 170.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -62.53 -50.89 69.57 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 119.459 1.027 . . . . 0.0 109.937 166.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 54.6 mt -62.76 -25.75 68.36 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 112.693 0.627 . . . . 0.0 112.693 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . 0.416 ' HB3' ' HA ' ' B' ' 40' ' ' LEU . 5.7 t -67.74 -83.56 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 127.284 2.234 . . . . 0.0 109.625 167.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 69.8 p -139.5 -15.81 1.06 Allowed 'General case' 0 C--N 1.345 0.389 0 N-CA-C 115.902 1.816 . . . . 0.0 115.902 -177.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 tt -69.92 143.14 52.81 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 122.86 1.314 . . . . 0.0 112.479 -164.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 58.0 m -147.6 168.43 22.03 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 125.289 1.436 . . . . 0.0 107.655 159.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -115.32 157.32 23.99 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-O 122.242 1.02 . . . . 0.0 108.672 -171.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.402 ' CG2' HG22 ' A' ' 26' ' ' THR . 0.0 OUTLIER -136.08 116.65 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.999 0 C-N-CA 126.098 1.759 . . . . 0.0 107.419 -179.636 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 14.0 p -60.01 155.73 41.85 Favored Pre-proline 0 CA--C 1.536 0.42 0 C-N-CA 123.497 0.719 . . . . 0.0 110.165 -175.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 23.0 Cg_endo -59.06 -26.08 80.32 Favored 'Trans proline' 0 CA--C 1.538 0.678 0 C-N-CA 121.72 1.614 . . . . 0.0 113.153 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 81.9 t90 -61.84 -48.22 81.53 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 118.763 -0.637 . . . . 0.0 111.249 171.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 32.0 m -73.05 -29.49 63.02 Favored 'General case' 0 C--N 1.341 0.215 0 CA-C-N 118.833 0.742 . . . . 0.0 112.117 175.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.25 -32.57 73.28 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.342 0.974 . . . . 0.0 110.866 170.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 28.1 m -84.46 -43.03 15.0 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.64 1.176 . . . . 0.0 111.912 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -121.32 -16.65 7.85 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -165.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 . . . . . 0 C--O 1.253 1.277 0 C-N-CA 126.865 2.066 . . . . 0.0 111.866 -158.794 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . 1.151 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.183 0 N-CA-C 109.89 -1.284 . . . . 0.0 109.89 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 m -54.12 137.69 39.69 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 124.569 1.148 . . . . 0.0 110.37 174.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.7 p-80 -156.16 148.78 23.82 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.685 1.194 . . . . 0.0 107.932 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 41.7 tpp -162.68 157.95 22.46 Favored 'General case' 0 C--O 1.233 0.211 0 C-N-CA 125.33 1.452 . . . . 0.0 107.29 169.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -153.94 162.39 41.25 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 158.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -155.42 165.74 17.7 Favored Pre-proline 0 N--CA 1.448 -0.543 0 C-N-CA 124.367 1.067 . . . . 0.0 108.441 -165.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -74.05 176.73 9.12 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 121.883 1.722 . . . . 0.0 109.178 170.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . 0.256 1.4 mp0 67.22 -74.95 0.06 Allowed 'General case' 0 N--CA 1.441 -0.897 0 C-N-CA 126.159 1.783 . . . . 0.0 109.919 -179.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.73 92.17 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 126.38 1.872 . . . . 0.0 111.518 177.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -127.37 150.59 49.54 Favored 'General case' 0 N--CA 1.466 0.333 0 O-C-N 121.326 -0.859 . . . . 0.0 109.731 -174.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -131.06 95.3 3.77 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 122.908 0.483 . . . . 0.0 111.318 -158.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 27.5 mt -86.39 99.0 7.42 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.271 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 177.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tt -66.34 112.93 4.26 Favored 'General case' 0 N--CA 1.449 -0.518 0 O-C-N 120.185 -1.572 . . . . 0.0 108.835 173.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.5 t -131.63 -162.15 1.2 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.183 0.993 . . . . 0.0 110.656 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.0 m -125.8 155.01 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.537 1.135 . . . . 0.0 108.923 170.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.124 ' SG ' 'ZN ' ' A' ' 57' ' ' ' ZN' . 38.5 t -73.17 133.41 44.05 Favored 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 124.055 0.942 . . . . 0.0 108.826 170.391 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 17.3 t -51.01 -41.12 59.57 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.0 0.92 . . . . 0.0 112.272 171.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.09 -12.34 2.85 Favored 'General case' 0 C--N 1.341 0.21 0 N-CA-C 115.575 1.694 . . . . 0.0 115.575 -159.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.0 m -82.23 -16.71 48.64 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.94 158.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.2 t0 43.34 64.14 1.32 Allowed 'General case' 0 C--N 1.346 0.429 0 C-N-CA 126.35 1.86 . . . . 0.0 111.108 -169.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -151.84 156.59 26.77 Favored Glycine 0 C--N 1.337 0.584 0 N-CA-C 110.421 -1.072 . . . . 0.0 110.421 -175.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.0 133.6 52.05 Favored 'General case' 0 C--O 1.231 0.11 0 C-N-CA 125.551 1.54 . . . . 0.0 109.394 -178.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.3 mt -123.3 151.08 27.59 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.214 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 167.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -116.15 84.28 2.09 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 175.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.7 mt -70.59 90.68 0.76 Allowed 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 114.212 -1.358 . . . . 0.0 109.491 -161.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 25.2 m -86.98 88.27 7.66 Favored 'General case' 0 N--CA 1.442 -0.83 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 -175.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.5 m -92.69 174.19 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.406 0 N-CA-C 106.212 -1.773 . . . . 0.0 106.212 169.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -134.04 94.56 3.27 Favored 'General case' 0 CA--C 1.537 0.479 0 N-CA-C 103.942 -2.614 . . . . 0.0 103.942 -172.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 44.4 m -151.2 150.6 30.81 Favored 'General case' 0 C--O 1.22 -0.496 0 O-C-N 120.08 -1.637 . . . . 0.0 110.417 -158.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 32.0 m -70.6 156.26 39.66 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 121.726 2.057 . . . . 0.0 108.7 171.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.1 -45.38 87.3 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 119.615 1.098 . . . . 0.0 113.025 -171.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -76.75 -19.42 57.65 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 121.659 0.742 . . . . 0.0 111.776 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -81.91 -38.36 25.43 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 125.457 1.503 . . . . 0.0 108.966 178.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.487 ' HA ' HD23 ' A' ' 37' ' ' LEU . 1.3 tt -57.99 -44.41 87.17 Favored 'General case' 0 C--O 1.223 -0.31 0 C-N-CA 126.068 1.747 . . . . 0.0 109.775 164.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -64.31 -43.43 94.71 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 123.852 0.861 . . . . 0.0 109.933 177.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 85.3 m -56.7 -50.11 73.13 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 175.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -68.34 -23.69 64.73 Favored 'General case' 0 CA--C 1.546 0.823 0 O-C-N 121.295 -0.878 . . . . 0.0 112.516 176.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -67.7 -32.35 72.94 Favored 'General case' 0 CA--C 1.538 0.495 0 O-C-N 120.461 -1.399 . . . . 0.0 109.912 168.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.7 mm-40 -69.81 -35.42 74.81 Favored 'General case' 0 CA--C 1.535 0.371 0 O-C-N 121.066 -1.021 . . . . 0.0 109.781 171.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 74.9 mt -62.49 -29.38 70.5 Favored 'General case' 0 CA--C 1.551 1.017 0 CA-C-N 118.762 0.71 . . . . 0.0 112.105 169.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.59 -50.13 68.41 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 126.033 1.733 . . . . 0.0 110.123 171.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 70.5 mt -66.71 -25.74 66.67 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.157 0.983 . . . . 0.0 112.43 177.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.9 t -66.81 -82.36 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 127.037 2.135 . . . . 0.0 109.557 170.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 70.9 p -138.93 -15.59 1.14 Allowed 'General case' 0 C--N 1.344 0.334 0 N-CA-C 116.137 1.903 . . . . 0.0 116.137 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.9 tt -72.28 109.06 5.76 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -166.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.9 p -96.7 176.44 6.0 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.249 1.02 . . . . 0.0 108.597 159.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -127.96 142.54 51.22 Favored 'General case' 0 C--O 1.236 0.374 0 C-N-CA 124.229 1.011 . . . . 0.0 110.733 -173.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.8 t -141.63 83.98 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.933 0 C-N-CA 126.493 1.917 . . . . 0.0 106.776 -163.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.0 p -55.37 159.21 4.71 Favored Pre-proline 0 N--CA 1.474 0.751 0 C-N-CA 127.047 2.139 . . . . 0.0 112.22 -176.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.439 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 14.4 Cg_endo -58.5 -25.77 75.5 Favored 'Trans proline' 0 CA--C 1.541 0.826 0 C-N-CA 122.379 2.053 . . . . 0.0 115.107 -170.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -58.47 -63.68 1.19 Allowed 'General case' 0 CA--C 1.53 0.201 0 C-N-CA 124.325 1.05 . . . . 0.0 110.302 172.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.444 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 5.6 p -69.54 -24.13 63.68 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 119.161 0.891 . . . . 0.0 112.268 174.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.439 ' HB3' ' HA ' ' A' ' 50' ' ' PRO . . . -58.35 -39.18 78.83 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 118.192 -1.403 . . . . 0.0 109.612 176.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 16.7 m -74.62 -61.86 1.73 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 127.094 2.158 . . . . 0.0 111.357 173.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -78.37 -32.42 48.94 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.948 1.299 . . . . 0.0 113.341 -167.549 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--O 1.252 1.224 0 C-N-CA 129.613 3.165 . . . . 0.0 110.858 -159.28 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.964 0 N-CA-C 110.604 -0.998 . . . . 0.0 110.604 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t 67.16 173.3 0.26 Allowed 'General case' 0 N--CA 1.466 0.332 0 C-N-CA 125.958 1.703 . . . . 0.0 113.218 -178.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -135.89 -165.82 1.77 Allowed 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 128.19 2.596 . . . . 0.0 104.169 158.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 49.57 102.34 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 129.053 2.941 . . . . 0.0 116.379 159.187 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -71.37 56.93 0.24 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.702 1.601 . . . . 0.0 112.229 173.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -77.94 156.9 79.54 Favored Pre-proline 0 CA--C 1.542 0.663 0 C-N-CA 124.438 1.095 . . . . 0.0 111.217 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -76.08 57.26 5.16 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 124.774 3.649 . . . . 0.0 112.434 -173.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 17.5 mp0 -127.78 -57.52 1.26 Allowed 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 126.126 1.771 . . . . 0.0 109.02 172.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.36 88.37 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 126.051 1.74 . . . . 0.0 112.101 179.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 58.6 m170 -124.62 161.26 26.63 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 125.136 1.374 . . . . 0.0 110.189 -167.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -136.79 90.18 2.52 Favored 'General case' 0 C--N 1.337 0.062 0 C-N-CA 124.134 0.974 . . . . 0.0 108.976 -160.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 18.9 mt -84.8 101.83 9.87 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.22 0 N-CA-C 106.48 -1.674 . . . . 0.0 106.48 175.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.9 tt -65.69 116.35 6.82 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 120.597 -1.315 . . . . 0.0 108.355 171.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 3.7 t -131.25 -166.75 1.75 Allowed 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 126.734 2.014 . . . . 0.0 108.043 176.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 19.7 m -126.51 157.91 36.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-O 121.464 0.65 . . . . 0.0 110.093 169.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . 0.425 ' HB3' ' SG ' ' B' ' 19' ' ' CYS . 47.7 t -66.62 102.63 0.94 Allowed 'General case' 0 N--CA 1.449 -0.504 0 N-CA-C 105.881 -1.896 . . . . 0.0 105.881 161.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 15.0 t -50.19 -34.07 21.38 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.636 1.174 . . . . 0.0 112.934 -171.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . 0.464 ' HD3' ' CG1' ' B' ' 48' ' ' VAL . 21.5 ptmt -87.54 -16.96 33.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 125.248 1.419 . . . . 0.0 113.616 -174.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . 0.425 ' SG ' ' HB3' ' B' ' 16' ' ' CYS . 1.4 p -129.21 -0.55 5.14 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -179.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 21.8 t0 55.27 19.02 2.74 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 128.257 2.623 . . . . 0.0 113.576 -174.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -78.0 142.3 26.25 Favored Glycine 0 C--N 1.34 0.777 0 N-CA-C 110.034 -1.226 . . . . 0.0 110.034 -177.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -64.36 122.27 16.29 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 125.798 1.639 . . . . 0.0 108.934 -176.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 5.8 mt -127.29 120.27 54.61 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.205 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 171.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -81.32 87.4 6.15 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 107.559 -1.275 . . . . 0.0 107.559 166.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 56.4 mt -65.33 97.31 0.27 Allowed 'General case' 0 CA--C 1.513 -0.447 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 -172.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 81.7 m -92.75 92.31 7.9 Favored 'General case' 0 N--CA 1.435 -1.21 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 -171.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.437 HG21 HD21 ' B' ' 37' ' ' LEU . 11.4 m -115.52 139.11 43.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 105.357 -2.09 . . . . 0.0 105.357 -175.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -112.33 79.89 1.27 Allowed 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 105.899 -1.889 . . . . 0.0 105.899 -159.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.3 t -150.71 154.59 37.69 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.229 0.538 . . . . 0.0 111.176 -174.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.9 m -50.2 141.4 11.43 Favored 'General case' 0 N--CA 1.449 -0.499 0 C-N-CA 126.316 1.846 . . . . 0.0 109.665 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.54 -37.57 65.56 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -166.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -84.3 -25.53 29.22 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 118.619 0.645 . . . . 0.0 112.725 -176.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -67.41 -45.5 75.97 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 124.587 1.155 . . . . 0.0 108.249 169.566 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.531 ' HA ' HD23 ' B' ' 37' ' ' LEU . 1.3 tt -59.5 -44.22 93.15 Favored 'General case' 0 C--O 1.22 -0.458 0 C-N-CA 125.131 1.372 . . . . 0.0 111.321 172.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -60.7 -46.11 91.65 Favored 'General case' 0 CA--C 1.51 -0.559 0 C-N-CA 127.006 2.122 . . . . 0.0 108.983 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 33.8 m -56.75 -50.47 72.17 Favored 'General case' 0 CA--C 1.535 0.4 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 175.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.531 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -52.7 -40.84 63.34 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.657 1.183 . . . . 0.0 111.457 170.805 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -68.89 -30.55 69.07 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 120.453 -1.404 . . . . 0.0 110.589 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -67.85 -36.61 80.62 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 119.08 0.855 . . . . 0.0 109.511 172.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 17.6 mt -57.1 -45.6 83.25 Favored 'General case' 0 C--N 1.343 0.312 0 CA-C-O 118.843 -0.599 . . . . 0.0 109.953 169.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -63.03 -42.65 99.83 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 119.02 0.827 . . . . 0.0 111.314 178.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 41.7 mt -64.6 -27.43 68.94 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.657 0.783 . . . . 0.0 111.866 175.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 7.3 t -83.08 -65.34 1.02 Allowed 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.902 1.681 . . . . 0.0 112.298 179.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -143.93 -16.03 0.61 Allowed 'General case' 0 N--CA 1.447 -0.61 0 N-CA-C 116.483 2.031 . . . . 0.0 116.483 -158.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.3 mp -104.19 152.8 21.72 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 114.851 1.426 . . . . 0.0 114.851 -163.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.1 p -141.4 178.17 7.61 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 127.544 2.338 . . . . 0.0 109.657 174.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -133.68 164.54 26.97 Favored 'General case' 0 C--O 1.237 0.409 0 C-N-CA 124.337 1.055 . . . . 0.0 108.756 178.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.464 ' CG1' ' HD3' ' B' ' 18' ' ' LYS . 0.4 OUTLIER -133.93 118.38 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.123 0 C-N-CA 125.89 1.676 . . . . 0.0 109.061 -174.691 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 23.7 p -65.22 150.01 96.17 Favored Pre-proline 0 CA--C 1.538 0.482 0 O-C-N 121.494 -0.754 . . . . 0.0 109.686 178.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 9.6 Cg_endo -53.16 -29.31 45.43 Favored 'Trans proline' 0 C--N 1.354 0.834 0 C-N-CA 122.397 2.065 . . . . 0.0 114.62 -178.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 19.9 t90 -58.52 -69.65 0.18 Allowed 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 125.144 1.378 . . . . 0.0 110.013 172.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 69.6 m -66.59 -26.91 67.33 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 123.506 0.722 . . . . 0.0 112.879 -175.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.48 -53.98 51.9 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 124.312 1.045 . . . . 0.0 110.502 171.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 28.9 m -69.73 -47.52 62.78 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.737 1.215 . . . . 0.0 110.485 -177.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -75.03 -29.73 60.88 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 118.15 -0.929 . . . . 0.0 111.867 -172.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.251 1.137 0 CA-C-O 115.298 -2.286 . . . . 0.0 109.801 -159.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . 1.124 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.042 0 N-CA-C 109.602 -1.399 . . . . 0.0 109.602 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m -113.83 -3.24 13.48 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -163.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -75.74 -8.66 57.38 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-N 119.006 0.821 . . . . 0.0 112.214 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 15.3 tpt -141.9 150.89 42.1 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 173.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -148.91 149.26 30.94 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 106.508 -1.664 . . . . 0.0 106.508 164.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -140.12 150.46 61.91 Favored Pre-proline 0 CA--C 1.538 0.498 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -77.56 59.71 6.85 Favored 'Trans proline' 0 CA--C 1.537 0.666 0 C-N-CA 124.202 3.268 . . . . 0.0 111.572 -171.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 20.6 mp0 -129.35 -55.39 1.17 Allowed 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 125.652 1.581 . . . . 0.0 109.31 178.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.451 ' HE ' ' CG2' ' A' ' 26' ' ' THR . 0.1 OUTLIER -57.35 100.81 0.05 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 119.714 1.143 . . . . 0.0 108.981 177.745 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -133.44 147.24 51.69 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.849 0.86 . . . . 0.0 110.395 -170.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -129.87 95.95 4.09 Favored 'General case' 0 CA--C 1.509 -0.628 0 C-N-CA 123.582 0.753 . . . . 0.0 111.129 -158.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 73.0 mt -87.08 94.59 4.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 N-CA-C 105.482 -2.044 . . . . 0.0 105.482 167.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.0 tt -63.66 104.61 0.68 Allowed 'General case' 0 N--CA 1.446 -0.641 0 N-CA-C 107.49 -1.3 . . . . 0.0 107.49 162.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -116.2 -170.06 1.73 Allowed 'General case' 0 N--CA 1.449 -0.488 0 C-N-CA 124.25 1.02 . . . . 0.0 109.27 176.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.3 m -124.2 155.07 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 124.077 0.951 . . . . 0.0 109.453 175.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.418 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 16.7 t -75.33 136.12 40.84 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 115.072 -0.967 . . . . 0.0 110.934 -174.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.7 t -50.75 -48.99 58.99 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 124.889 1.276 . . . . 0.0 111.688 179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -101.77 -17.24 16.33 Favored 'General case' 0 C--N 1.341 0.207 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -164.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 28.6 p -133.08 2.26 3.6 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -174.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.4 t0 55.27 16.07 1.55 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.615 1.966 . . . . 0.0 113.734 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.64 148.33 38.37 Favored Glycine 0 C--N 1.339 0.706 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 -176.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -61.75 125.99 25.76 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 177.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 8.6 mt -125.1 111.58 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 107.8 -1.185 . . . . 0.0 107.8 171.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.41 102.77 2.72 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 163.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.2 mt -84.09 82.75 8.22 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 176.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.451 ' CG2' ' HE ' ' A' ' 9' ' ' ARG . 96.7 m -69.57 93.42 0.69 Allowed 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 159.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.7 m -88.58 162.6 2.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 N-CA-C 103.695 -2.706 . . . . 0.0 103.695 158.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -127.08 101.06 6.37 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 119.938 -1.727 . . . . 0.0 106.647 176.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.1 t -167.57 162.7 14.42 Favored 'General case' 0 C--N 1.344 0.329 0 C-N-CA 122.909 0.483 . . . . 0.0 110.492 169.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.4 m -49.41 145.97 4.29 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 125.627 1.571 . . . . 0.0 110.894 178.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.29 -37.26 67.1 Favored 'General case' 0 CA--C 1.532 0.277 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -166.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -79.53 -25.67 41.65 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 123.914 0.886 . . . . 0.0 113.103 -178.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -68.6 -45.98 70.52 Favored 'General case' 0 N--CA 1.452 -0.346 0 N-CA-C 107.958 -1.127 . . . . 0.0 107.958 171.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.447 ' HA ' HD23 ' A' ' 37' ' ' LEU . 1.1 tt -57.41 -44.59 84.7 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 124.439 1.096 . . . . 0.0 111.032 171.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -62.33 -42.72 99.61 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 125.421 1.488 . . . . 0.0 109.377 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.4 m -59.48 -47.47 85.37 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 174.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.447 HD23 ' HA ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -53.31 -40.0 64.45 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.497 1.119 . . . . 0.0 111.442 169.748 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.8 tt0 -70.11 -30.15 67.27 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 120.609 -1.307 . . . . 0.0 110.158 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -70.28 -35.32 73.66 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 119.152 0.887 . . . . 0.0 109.681 172.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 60.9 mt -64.44 -30.79 71.82 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 118.396 0.543 . . . . 0.0 111.304 169.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -66.3 -47.18 74.41 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.079 1.352 . . . . 0.0 110.59 172.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.3 mt -68.0 -26.96 66.16 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.39 1.076 . . . . 0.0 112.185 176.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.9 t -65.62 -77.9 0.06 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 127.562 2.345 . . . . 0.0 109.87 171.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 56.2 p -139.49 -25.37 0.84 Allowed 'General case' 0 C--N 1.343 0.297 0 N-CA-C 115.413 1.634 . . . . 0.0 115.413 176.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.0 tt -63.92 114.17 3.92 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-O 120.839 0.352 . . . . 0.0 111.811 -163.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.0 m -101.24 167.86 9.93 Favored 'General case' 0 N--CA 1.442 -0.832 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 160.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -124.08 149.6 45.97 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 107.743 -1.206 . . . . 0.0 107.743 -178.157 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.567 HG21 ' CD ' ' B' ' 28' ' ' GLU 0.277 2.1 t -139.48 108.41 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.987 0 C-N-CA 124.827 1.251 . . . . 0.0 109.005 -169.405 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.9 p -61.17 146.35 88.51 Favored Pre-proline 0 CA--C 1.535 0.401 0 C-N-CA 125.751 1.62 . . . . 0.0 110.092 -172.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -59.59 -26.95 83.72 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 122.21 1.94 . . . . 0.0 113.846 -170.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -56.79 -66.02 0.52 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 124.986 1.314 . . . . 0.0 110.37 170.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.418 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 3.0 p -71.82 -16.77 62.17 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 118.17 0.441 . . . . 0.0 112.02 -178.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.77 -42.79 76.94 Favored 'General case' 0 N--CA 1.436 -1.127 0 C-N-CA 119.743 -0.783 . . . . 0.0 109.074 173.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 28.2 m -70.89 -46.53 62.42 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 125.694 1.597 . . . . 0.0 110.775 177.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -79.02 -21.63 46.66 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.127 0.571 . . . . 0.0 112.52 -175.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 . . . . . 0 C--O 1.248 0.994 0 C-N-CA 125.863 1.665 . . . . 0.0 109.044 -160.342 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.177 0 N-CA-C 109.129 -1.588 . . . . 0.0 109.129 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.9 m -59.75 -24.91 64.44 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 118.042 0.921 . . . . 0.0 112.328 173.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 20.7 m170 -122.63 159.05 28.66 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 106.585 -1.635 . . . . 0.0 106.585 159.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 10.3 tpt -154.41 161.48 41.69 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 108.656 -0.868 . . . . 0.0 108.656 174.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . 149.21 133.97 0.0 OUTLIER 'General case' 0 C--O 1.232 0.177 1 C-N-CA 133.056 4.542 . . . . 0.0 105.766 179.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.54 151.28 15.4 Favored Pre-proline 0 N--CA 1.448 -0.543 0 N-CA-C 112.458 0.54 . . . . 0.0 112.458 -158.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -83.79 35.63 0.56 Allowed 'Trans proline' 0 CA--C 1.541 0.871 0 C-N-CA 124.426 3.417 . . . . 0.0 112.225 -170.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 16.4 mp0 -129.33 -53.48 1.18 Allowed 'General case' 0 C--O 1.223 -0.295 0 C-N-CA 125.117 1.367 . . . . 0.0 110.083 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -59.28 95.55 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 125.142 1.377 . . . . 0.0 110.714 -175.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 42.4 m170 -128.57 163.46 24.96 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 123.8 0.84 . . . . 0.0 109.42 -168.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -137.59 94.63 2.94 Favored 'General case' 0 CA--C 1.52 -0.18 0 C-N-CA 123.985 0.914 . . . . 0.0 109.061 -165.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 33.0 mt -83.05 95.21 3.42 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.283 0 N-CA-C 105.997 -1.853 . . . . 0.0 105.997 172.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 tt -63.1 109.1 1.4 Allowed 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 166.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 3.4 t -120.75 -172.88 2.47 Favored 'General case' 0 N--CA 1.448 -0.574 0 C-N-CA 124.023 0.929 . . . . 0.0 108.609 169.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.0 m -119.14 152.96 21.52 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 171.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . 0.5 ' SG ' ' HA ' ' B' ' 48' ' ' VAL . 11.9 t -69.05 132.59 46.87 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.057 -178.352 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 29.0 t -55.57 -40.48 72.01 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.373 1.069 . . . . 0.0 112.138 -176.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.48 -11.7 15.44 Favored 'General case' 0 C--N 1.345 0.405 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -169.412 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 31.1 p -135.46 3.81 3.09 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 20.2 t0 57.06 16.82 3.08 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.31 1.844 . . . . 0.0 113.907 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.16 147.54 39.57 Favored Glycine 0 C--N 1.34 0.764 0 N-CA-C 109.951 -1.26 . . . . 0.0 109.951 -177.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -66.69 114.83 5.9 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 125.387 1.475 . . . . 0.0 109.202 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 16.8 mt -120.89 109.64 25.91 Favored 'Isoleucine or valine' 0 C--N 1.34 0.171 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 176.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -78.65 82.41 4.89 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 124.231 1.013 . . . . 0.0 108.71 168.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 24.4 mt -64.45 96.49 0.17 Allowed 'General case' 0 C--O 1.234 0.272 0 C-N-CA 124.735 1.214 . . . . 0.0 108.13 -172.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 24.5 m -85.57 95.87 9.46 Favored 'General case' 0 N--CA 1.446 -0.66 0 N-CA-C 106.968 -1.493 . . . . 0.0 106.968 -177.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 m -114.57 124.96 71.74 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 N-CA-C 103.146 -2.909 . . . . 0.0 103.146 -178.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . 0.567 ' CD ' HG21 ' A' ' 48' ' ' VAL . 19.4 mt-10 -103.87 91.0 3.8 Favored 'General case' 0 N--CA 1.446 -0.666 0 N-CA-C 104.808 -2.293 . . . . 0.0 104.808 -169.242 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 1.7 t -153.18 156.37 38.44 Favored 'General case' 0 CA--C 1.515 -0.395 0 C-N-CA 124.322 1.049 . . . . 0.0 110.248 -176.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.9 m -51.87 141.56 17.19 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.953 1.301 . . . . 0.0 109.916 176.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.12 -34.49 63.77 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 -165.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -97.16 -16.56 20.38 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -174.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -62.52 -45.21 94.04 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 159.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.47 ' HA ' HD23 ' B' ' 37' ' ' LEU . 0.5 OUTLIER -62.0 -42.15 98.84 Favored 'General case' 0 C--O 1.222 -0.358 0 C-N-CA 125.156 1.382 . . . . 0.0 111.915 174.514 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -63.95 -45.46 89.05 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 126.47 1.908 . . . . 0.0 109.222 178.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 30.3 m -56.14 -48.63 75.89 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 174.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -55.45 -38.49 69.11 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.753 1.221 . . . . 0.0 111.953 171.132 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -68.09 -30.12 69.23 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 120.224 -1.548 . . . . 0.0 110.312 176.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -70.56 -33.95 71.68 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 118.941 0.791 . . . . 0.0 109.837 172.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 40.7 mt -61.26 -39.53 90.72 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 118.478 0.581 . . . . 0.0 110.693 170.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . 0.422 ' CE1' ' HA ' ' B' ' 46' ' ' SER . 3.0 m-85 -61.09 -51.75 67.8 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.472 0.709 . . . . 0.0 110.142 172.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 37.4 mt -62.17 -30.45 71.07 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 123.934 0.894 . . . . 0.0 111.976 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 13.8 t -67.02 -66.88 0.5 Allowed 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 125.513 1.525 . . . . 0.0 110.536 170.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -152.15 -38.93 0.11 Allowed 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 -158.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.8 tt -71.93 152.77 42.28 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-O 122.5 1.143 . . . . 0.0 112.511 -163.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . 0.422 ' HA ' ' CE1' ' B' ' 41' ' ' PHE . 57.9 m -145.2 -179.19 6.47 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 121.029 -1.044 . . . . 0.0 109.368 164.101 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -127.13 156.72 41.32 Favored 'General case' 0 C--O 1.237 0.418 0 C-N-CA 124.391 1.076 . . . . 0.0 108.242 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.5 ' HA ' ' SG ' ' B' ' 16' ' ' CYS 0.325 0.5 OUTLIER -141.11 109.29 2.52 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.815 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 -179.666 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 3.1 p -60.18 144.1 87.76 Favored Pre-proline 0 CA--C 1.535 0.37 0 C-N-CA 125.627 1.571 . . . . 0.0 110.532 -169.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -60.51 -28.53 86.84 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 121.688 1.592 . . . . 0.0 113.933 -167.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -57.04 -64.23 0.95 Allowed 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 172.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 1.3 p -65.97 -27.5 68.2 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 122.929 0.492 . . . . 0.0 110.971 -175.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.51 -18.24 55.05 Favored 'General case' 0 N--CA 1.442 -0.834 0 O-C-N 124.394 1.059 . . . . 0.0 111.827 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 27.7 m -90.48 -38.58 13.14 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.059 1.344 . . . . 0.0 110.783 169.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -62.59 -36.9 84.19 Favored 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.018 0.826 . . . . 0.0 110.488 172.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.256 1.406 0 C-N-CA 128.75 2.82 . . . . 0.0 115.963 158.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.057 0 N-CA-C 109.932 -1.267 . . . . 0.0 109.932 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.6 m -60.08 149.92 31.02 Favored 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 117.746 0.773 . . . . 0.0 109.868 168.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 -151.7 -70.43 0.16 Allowed 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.711 0.804 . . . . 0.0 109.119 174.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 20.2 ttt -139.73 92.77 2.59 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 106.279 -1.748 . . . . 0.0 106.279 -174.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -77.0 100.37 5.61 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.704 1.202 . . . . 0.0 109.825 -173.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -131.51 150.93 77.76 Favored Pre-proline 0 CA--C 1.539 0.531 0 C-N-CA 124.256 1.023 . . . . 0.0 109.302 -178.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -76.89 61.72 7.16 Favored 'Trans proline' 0 C--N 1.351 0.671 0 C-N-CA 124.532 3.488 . . . . 0.0 111.567 -174.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 16.3 mp0 -126.82 -60.46 1.23 Allowed 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.412 1.485 . . . . 0.0 109.213 177.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.54 94.9 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.578 1.151 . . . . 0.0 110.602 -176.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 45.4 m170 -127.1 167.64 15.71 Favored 'General case' 0 C--N 1.34 0.159 0 CA-C-N 118.429 0.559 . . . . 0.0 110.567 -170.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.4 mtpt -142.85 97.52 3.12 Favored 'General case' 0 CA--C 1.519 -0.244 0 C-N-CA 124.805 1.242 . . . . 0.0 109.189 -161.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 58.9 mt -85.5 94.25 3.97 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.319 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 168.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 tt -66.62 111.82 3.84 Favored 'General case' 0 N--CA 1.446 -0.643 0 O-C-N 120.438 -1.414 . . . . 0.0 108.69 169.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 t -120.11 -173.24 2.51 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 123.81 0.844 . . . . 0.0 109.124 167.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 12.8 m -121.24 153.45 24.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 N-CA-C 107.848 -1.167 . . . . 0.0 107.848 167.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 14.0 t -69.0 131.0 44.37 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.002 -175.253 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 10.3 t -57.67 -36.14 71.51 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 123.082 0.553 . . . . 0.0 111.96 -173.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -111.12 -11.15 14.29 Favored 'General case' 0 N--CA 1.45 -0.456 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 -166.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 30.5 p -139.45 4.11 2.16 Favored 'General case' 0 N--CA 1.447 -0.595 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 19.3 t0 57.74 17.4 4.11 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 126.941 2.097 . . . . 0.0 114.302 175.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.64 148.02 39.55 Favored Glycine 0 C--N 1.339 0.749 0 N-CA-C 110.09 -1.204 . . . . 0.0 110.09 -179.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -66.39 113.6 4.78 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 124.785 1.234 . . . . 0.0 108.98 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.3 mt -116.7 105.66 18.72 Favored 'Isoleucine or valine' 0 C--N 1.341 0.232 0 CA-C-O 121.914 0.864 . . . . 0.0 109.209 177.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -80.01 84.75 5.7 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 124.341 1.056 . . . . 0.0 108.803 169.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.8 mt -68.86 93.5 0.55 Allowed 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.572 0.749 . . . . 0.0 109.116 -171.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.455 HG22 HG23 ' B' ' 48' ' ' VAL . 8.4 m -87.7 98.84 11.67 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 106.307 -1.738 . . . . 0.0 106.307 -173.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.3 m -121.04 117.37 52.7 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.659 0 N-CA-C 104.205 -2.517 . . . . 0.0 104.205 -178.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -79.14 105.87 10.77 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 174.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.406 ' OG ' ' OD1' ' A' ' 33' ' ' ASP . 0.9 OUTLIER -159.69 155.76 26.61 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 118.213 0.46 . . . . 0.0 111.449 168.383 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 9.2 m -51.86 141.55 17.19 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.929 1.292 . . . . 0.0 109.903 176.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.53 -35.47 63.24 Favored 'General case' 0 CA--C 1.536 0.433 0 N-CA-C 113.547 0.943 . . . . 0.0 113.547 -166.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 -85.13 -25.52 27.44 Favored 'General case' 0 CA--C 1.531 0.247 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.406 ' OD1' ' OG ' ' A' ' 29' ' ' SER . 10.2 t70 -67.18 -44.21 80.23 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 169.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.599 ' HA ' HD23 ' A' ' 37' ' ' LEU . 2.8 tt -57.6 -48.97 77.94 Favored 'General case' 0 C--O 1.224 -0.246 0 C-N-CA 124.681 1.193 . . . . 0.0 110.677 170.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -56.67 -47.35 80.0 Favored 'General case' 0 CA--C 1.51 -0.568 0 C-N-CA 125.417 1.487 . . . . 0.0 109.191 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 26.7 m -57.01 -48.28 78.85 Favored 'General case' 0 CA--C 1.535 0.383 0 O-C-N 124.177 0.923 . . . . 0.0 109.248 177.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.599 HD23 ' HA ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -58.62 -36.04 73.42 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.969 -0.457 . . . . 0.0 110.986 172.808 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -71.63 -24.93 61.96 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 120.82 -1.175 . . . . 0.0 111.12 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -71.88 -37.85 70.09 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 119.066 0.848 . . . . 0.0 109.45 170.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 73.7 mt -60.59 -35.1 75.27 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 118.669 0.668 . . . . 0.0 110.607 169.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.67 -48.44 77.19 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 125.13 1.372 . . . . 0.0 110.415 174.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 36.4 mt -63.47 -33.16 74.97 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.735 0.814 . . . . 0.0 112.063 176.093 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.1 t -74.78 -62.21 1.61 Allowed 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 125.881 1.672 . . . . 0.0 112.106 179.474 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -142.18 -35.11 0.44 Allowed 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -158.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.5 tt -89.36 143.56 26.73 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 123.638 0.775 . . . . 0.0 112.222 -161.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 p -127.97 -179.6 5.06 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 128.578 2.751 . . . . 0.0 108.38 168.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.426 ' CZ ' HG12 ' B' ' 27' ' ' VAL . 0.2 OUTLIER -139.48 155.27 47.66 Favored 'General case' 0 C--O 1.237 0.417 0 O-C-N 120.881 -1.137 . . . . 0.0 111.751 -177.83 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 10.9 t -145.66 98.73 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 C-N-CA 126.814 2.045 . . . . 0.0 107.493 -162.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 3.5 p -58.92 153.79 41.83 Favored Pre-proline 0 N--CA 1.476 0.826 0 C-N-CA 125.776 1.631 . . . . 0.0 110.486 -175.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -60.81 -25.24 80.8 Favored 'Trans proline' 0 CA--C 1.538 0.684 0 C-N-CA 122.155 1.903 . . . . 0.0 113.812 -174.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 14.4 t90 -56.59 -68.23 0.23 Allowed 'General case' 0 C--N 1.341 0.237 0 C-N-CA 125.076 1.35 . . . . 0.0 109.805 172.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.403 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 29.2 p -66.63 -27.19 67.49 Favored 'General case' 0 CA--C 1.514 -0.406 0 CA-C-N 118.41 0.55 . . . . 0.0 111.555 179.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.4 -38.19 86.18 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 118.77 -1.172 . . . . 0.0 110.255 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 24.9 m -75.35 -48.78 21.48 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 126.361 1.865 . . . . 0.0 111.329 175.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -80.9 -9.72 59.8 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.157 0.983 . . . . 0.0 113.006 -170.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.253 1.249 0 C-N-CA 127.947 2.499 . . . . 0.0 110.794 -171.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.119 0 N-CA-C 109.791 -1.324 . . . . 0.0 109.791 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 91.9 p -140.89 -176.87 4.83 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.73 1.612 . . . . 0.0 107.217 169.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 65.6 m80 62.92 -17.23 0.05 Allowed 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 127.117 2.167 . . . . 0.0 115.939 175.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 16.9 ttt -71.68 63.87 0.44 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 127.433 2.293 . . . . 0.0 111.992 -176.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -119.65 70.08 0.85 Allowed 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 128.073 2.549 . . . . 0.0 107.1 171.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -126.96 152.42 75.48 Favored Pre-proline 0 CA--C 1.538 0.515 0 C-N-CA 124.659 1.183 . . . . 0.0 109.295 -162.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -77.32 58.02 6.11 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 124.487 3.458 . . . . 0.0 111.919 -172.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 21.6 mp0 -127.38 -58.95 1.25 Allowed 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.465 1.506 . . . . 0.0 109.593 176.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.17 95.99 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.198 1.399 . . . . 0.0 110.294 177.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 56.9 m170 -131.35 144.4 51.21 Favored 'General case' 0 C--O 1.227 -0.107 0 C-N-CA 124.495 1.118 . . . . 0.0 109.398 -165.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 12.1 mtpp -124.02 88.49 2.92 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 124.668 1.187 . . . . 0.0 109.76 -158.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 14.5 mt -84.35 102.27 10.06 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.207 0 N-CA-C 106.687 -1.597 . . . . 0.0 106.687 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.5 tt -68.39 115.07 7.4 Favored 'General case' 0 N--CA 1.446 -0.653 0 O-C-N 120.942 -1.099 . . . . 0.0 108.817 175.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 14.5 t -125.73 -172.79 2.68 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 126.568 1.947 . . . . 0.0 108.555 178.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 20.6 m -109.65 162.22 7.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 158.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . 1.146 ' SG ' 'ZN ' ' B' ' 57' ' ' ' ZN' . 38.4 t -64.28 131.85 48.53 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.716 -1.216 . . . . 0.0 107.716 161.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 35.9 t -51.31 -38.11 51.21 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.552 1.541 . . . . 0.0 111.828 178.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.18 -17.67 4.72 Favored 'General case' 0 C--N 1.343 0.314 0 N-CA-C 115.418 1.636 . . . . 0.0 115.418 -171.007 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 15.1 m -83.76 -13.94 52.7 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 119.51 1.05 . . . . 0.0 110.95 167.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 25.9 t0 47.52 36.75 5.53 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 126.19 1.796 . . . . 0.0 111.994 -176.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -116.86 150.45 18.54 Favored Glycine 0 C--N 1.339 0.72 0 N-CA-C 108.804 -1.718 . . . . 0.0 108.804 179.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.36 132.16 47.72 Favored 'General case' 0 N--CA 1.45 -0.432 0 C-N-CA 123.78 0.832 . . . . 0.0 108.895 -172.527 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 44.2 mt -125.95 128.46 71.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 107.085 -1.45 . . . . 0.0 107.085 170.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -78.19 97.2 5.42 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 162.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.8 mt -73.03 90.99 1.54 Allowed 'General case' 0 C--O 1.234 0.263 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 -178.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 22.0 m -79.63 97.16 6.41 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 172.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.426 HG12 ' CZ ' ' A' ' 47' ' ' PHE . 1.3 m -93.79 176.69 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 N-CA-C 104.725 -2.324 . . . . 0.0 104.725 164.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -135.74 88.31 2.39 Favored 'General case' 0 N--CA 1.45 -0.468 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 -179.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 6.1 t -159.11 155.47 27.35 Favored 'General case' 0 C--N 1.343 0.298 0 O-C-N 121.135 -0.978 . . . . 0.0 111.48 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 18.3 m -53.33 144.48 16.26 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 125.127 1.371 . . . . 0.0 110.128 177.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.11 -33.37 57.54 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 114.226 1.195 . . . . 0.0 114.226 -163.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -99.21 -19.26 17.22 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -173.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -64.41 -42.97 95.79 Favored 'General case' 0 N--CA 1.446 -0.67 0 N-CA-C 107.855 -1.165 . . . . 0.0 107.855 159.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.468 ' HA ' HD23 ' B' ' 37' ' ' LEU . 2.1 tt -61.89 -43.81 98.09 Favored 'General case' 0 C--O 1.221 -0.414 0 C-N-CA 123.574 0.749 . . . . 0.0 111.55 174.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -56.9 -45.9 82.32 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 126.429 1.892 . . . . 0.0 109.015 175.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 22.2 m -58.3 -47.11 84.72 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 122.964 0.506 . . . . 0.0 109.652 174.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -55.31 -38.6 68.89 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.24 1.016 . . . . 0.0 111.516 170.12 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -70.16 -28.58 65.45 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 120.279 -1.513 . . . . 0.0 110.807 177.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -70.45 -34.41 72.41 Favored 'General case' 0 CA--C 1.533 0.304 0 O-C-N 121.179 -0.95 . . . . 0.0 109.58 171.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 67.6 mt -65.13 -30.13 71.03 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 118.84 -0.6 . . . . 0.0 111.354 169.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -64.26 -45.56 87.58 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 119.525 1.057 . . . . 0.0 110.622 169.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 64.7 mt -63.46 -25.81 68.44 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 175.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 6.4 t -69.56 -81.26 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 126.19 1.796 . . . . 0.0 109.937 168.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 35.5 p -144.69 -23.54 0.52 Allowed 'General case' 0 C--O 1.236 0.353 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 30.3 tp -54.86 113.73 1.45 Allowed 'General case' 0 C--O 1.224 -0.286 0 C-N-CA 124.724 1.21 . . . . 0.0 110.449 -167.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 20.1 m -125.77 158.13 35.7 Favored 'General case' 0 N--CA 1.439 -0.991 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 -178.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -116.32 145.22 43.35 Favored 'General case' 0 N--CA 1.446 -0.627 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -172.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . 0.455 HG23 HG22 ' A' ' 26' ' ' THR . 0.5 OUTLIER -131.48 118.3 38.95 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.204 0 C-N-CA 125.888 1.675 . . . . 0.0 108.521 175.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 p -63.43 158.68 56.25 Favored Pre-proline 0 CA--C 1.54 0.564 0 CA-C-N 114.873 -1.058 . . . . 0.0 110.117 -177.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_endo -51.79 -27.4 26.88 Favored 'Trans proline' 0 CA--C 1.545 1.048 0 C-N-CA 121.303 1.335 . . . . 0.0 115.49 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 15.7 t90 -61.51 -65.82 0.63 Allowed 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 124.173 0.989 . . . . 0.0 110.874 175.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.428 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 0.8 OUTLIER -59.83 -35.0 73.82 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 118.658 0.663 . . . . 0.0 111.08 177.035 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.43 -39.01 78.66 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-O 119.328 -0.368 . . . . 0.0 111.43 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 25.6 m -80.95 -50.07 10.19 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 124.983 1.313 . . . . 0.0 111.098 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -74.43 -44.95 49.53 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 123.739 0.816 . . . . 0.0 111.97 -172.455 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 15.0 tt0 . . . . . 0 C--O 1.251 1.16 0 C-N-CA 126.454 1.902 . . . . 0.0 110.494 -159.752 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ' ZN' . . . . . 1.146 'ZN ' ' SG ' ' B' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.155 0 N-CA-C 108.908 -1.677 . . . . 0.0 108.908 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.4 m 56.06 -169.63 0.09 Allowed 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.858 0.863 . . . . 0.0 111.328 -168.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -149.4 163.39 37.89 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.89 1.276 . . . . 0.0 108.056 176.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 44.0 ttp 34.94 57.73 0.75 Allowed 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 127.42 2.288 . . . . 0.0 111.671 -173.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.34 93.77 3.12 Favored 'General case' 0 N--CA 1.44 -0.964 0 C-N-CA 126.19 1.796 . . . . 0.0 107.121 -175.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -116.05 155.94 47.41 Favored Pre-proline 0 N--CA 1.451 -0.417 0 N-CA-C 108.417 -0.957 . . . . 0.0 108.417 -174.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 93.7 Cg_endo -70.61 167.29 25.98 Favored 'Trans proline' 0 N--CA 1.448 -1.162 0 N-CA-C 107.09 -1.927 . . . . 0.0 107.09 158.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . 0.296 2.0 mp0 67.37 -73.68 0.08 Allowed 'General case' 0 N--CA 1.442 -0.838 0 CA-C-O 116.464 -1.731 . . . . 0.0 110.815 176.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -52.2 83.65 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 127.48 2.312 . . . . 0.0 112.507 179.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.9 m170 -121.62 161.0 23.22 Favored 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 123.981 0.913 . . . . 0.0 109.395 -173.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -139.01 94.31 2.8 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.505 0.722 . . . . 0.0 109.38 -163.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.7 mt -83.82 102.28 9.58 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.258 0 N-CA-C 106.246 -1.761 . . . . 0.0 106.246 175.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 tt -66.68 108.92 2.64 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 120.954 -1.091 . . . . 0.0 108.934 170.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.2 t -117.37 -175.84 2.89 Favored 'General case' 0 N--CA 1.446 -0.65 0 C-N-CA 127.675 2.39 . . . . 0.0 107.4 176.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.4 m -109.7 159.55 9.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.216 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 158.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.127 ' SG ' 'ZN ' ' A' ' 57' ' ' ' ZN' . 10.7 t -66.88 138.33 57.22 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 164.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.1 t -49.32 -45.71 45.77 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 123.384 0.674 . . . . 0.0 112.321 173.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.28 -18.33 8.64 Favored 'General case' 0 C--O 1.226 -0.139 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 -161.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 m -81.8 -18.87 42.53 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 118.44 -0.791 . . . . 0.0 111.173 163.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.3 t0 40.99 52.48 3.32 Favored 'General case' 0 C--N 1.348 0.531 0 C-N-CA 126.029 1.732 . . . . 0.0 110.869 -166.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -134.71 151.4 20.37 Favored Glycine 0 C--N 1.338 0.676 0 C-N-CA 125.01 1.29 . . . . 0.0 110.308 -172.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.3 tmt_? -59.56 119.45 7.56 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 127.234 2.214 . . . . 0.0 109.329 -171.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 32.1 mt -123.34 119.63 58.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 167.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 75.7 tt0 -77.56 88.47 3.88 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 125.064 1.346 . . . . 0.0 108.49 167.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.9 mt -67.58 97.13 0.58 Allowed 'General case' 0 C--O 1.235 0.319 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -173.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.5 m -85.47 94.2 8.94 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 107.44 -1.319 . . . . 0.0 107.44 -176.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 m -114.81 141.74 30.22 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 N-CA-C 105.212 -2.144 . . . . 0.0 105.212 -179.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -109.79 88.7 2.81 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 103.314 -2.847 . . . . 0.0 103.314 -166.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.2 m -146.4 153.8 40.89 Favored 'General case' 0 C--O 1.221 -0.431 0 CA-C-N 114.875 -1.057 . . . . 0.0 111.359 -158.294 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 22.0 m -68.16 159.29 31.34 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 120.459 1.482 . . . . 0.0 109.209 176.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -60.19 -47.94 83.85 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 119.705 1.139 . . . . 0.0 112.046 -175.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -78.73 -24.48 44.83 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 121.064 0.459 . . . . 0.0 111.727 -176.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -70.84 -40.86 72.14 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 124.105 0.962 . . . . 0.0 109.446 171.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.432 ' HA ' HD23 ' A' ' 37' ' ' LEU . 3.4 tt -60.45 -43.48 96.83 Favored 'General case' 0 CA--C 1.518 -0.254 0 C-N-CA 124.972 1.309 . . . . 0.0 109.888 171.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 53.6 ttt180 -58.46 -53.54 57.19 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 175.433 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.0 m -53.55 -53.25 54.28 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 125.526 1.531 . . . . 0.0 110.258 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -64.97 -30.59 71.59 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.738 -0.601 . . . . 0.0 110.766 179.528 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -70.58 -27.27 63.98 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 120.88 -1.137 . . . . 0.0 110.882 172.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -67.36 -35.65 79.79 Favored 'General case' 0 C--N 1.345 0.377 0 CA-C-N 120.305 1.411 . . . . 0.0 110.119 169.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.1 mt -58.09 -47.66 82.53 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 118.832 0.742 . . . . 0.0 110.053 168.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -57.19 -45.77 83.46 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.093 0.406 . . . . 0.0 111.265 173.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.74 -32.83 69.6 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.976 1.31 . . . . 0.0 111.911 175.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.9 t -72.25 -65.88 0.72 Allowed 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.32 1.048 . . . . 0.0 109.898 176.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 72.3 p -147.74 -24.82 0.37 Allowed 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 114.37 1.248 . . . . 0.0 114.37 -175.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.84 153.94 40.83 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -160.529 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 p -140.29 175.18 9.8 Favored 'General case' 0 N--CA 1.448 -0.559 0 C-N-CA 125.599 1.56 . . . . 0.0 109.552 178.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -128.62 153.44 47.26 Favored 'General case' 0 C--O 1.238 0.46 0 O-C-N 121.331 -0.856 . . . . 0.0 109.033 175.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 4.1 t -141.8 99.16 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.435 -1.197 0 N-CA-C 106.129 -1.804 . . . . 0.0 106.129 -169.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.8 p -58.08 150.63 50.14 Favored Pre-proline 0 CA--C 1.534 0.341 0 CA-C-O 118.628 -0.701 . . . . 0.0 110.926 -173.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.21 -27.09 79.25 Favored 'Trans proline' 0 C--N 1.352 0.736 0 C-N-CA 121.799 1.666 . . . . 0.0 113.073 -178.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 29.4 t90 -56.64 -63.07 1.32 Allowed 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.489 1.516 . . . . 0.0 110.875 171.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.8 p -70.63 -24.41 62.71 Favored 'General case' 0 CA--C 1.51 -0.578 0 CA-C-N 119.021 0.828 . . . . 0.0 112.326 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.04 -35.38 80.98 Favored 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 119.182 -1.007 . . . . 0.0 110.04 178.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 25.7 m -79.19 -51.44 9.49 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 125.65 1.58 . . . . 0.0 110.988 177.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -91.48 -27.53 18.2 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.04 0.755 . . . . 0.0 113.04 -166.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 . . . . . 0 C--O 1.253 1.279 0 C-N-CA 128.34 2.656 . . . . 0.0 112.827 -173.341 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.223 0 N-CA-C 110.167 -1.173 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 11.0 m 66.66 -55.94 0.41 Allowed 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 127.303 2.241 . . . . 0.0 114.02 177.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 60.22 -172.82 0.12 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.926 1.69 . . . . 0.0 111.412 -169.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 18.4 ptm -141.13 161.61 37.46 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 125.379 1.472 . . . . 0.0 107.372 163.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -158.58 72.85 0.61 Allowed 'General case' 0 CA--C 1.53 0.186 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 175.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -134.43 147.95 65.57 Favored Pre-proline 0 C--O 1.236 0.393 0 C-N-CA 123.17 0.588 . . . . 0.0 109.69 -169.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 68.9 Cg_endo -77.03 72.37 5.88 Favored 'Trans proline' 0 N--CA 1.455 -0.788 0 C-N-CA 124.271 3.314 . . . . 0.0 108.75 175.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -142.47 -64.22 0.42 Allowed 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -178.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -58.44 91.19 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 124.885 1.274 . . . . 0.0 110.756 178.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 56.0 m170 -124.36 163.37 21.87 Favored 'General case' 0 N--CA 1.457 -0.101 0 C-N-CA 125.433 1.493 . . . . 0.0 109.485 -170.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -138.69 93.06 2.68 Favored 'General case' 0 N--CA 1.451 -0.417 0 O-C-N 121.982 -0.449 . . . . 0.0 110.243 -158.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 41.3 mt -83.23 101.71 8.25 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 177.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 5.7 tt -69.45 105.56 2.66 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 120.65 -1.282 . . . . 0.0 109.153 172.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 28.5 t -117.72 -173.11 2.37 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 128.175 2.59 . . . . 0.0 107.595 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 25.5 m -114.62 160.44 14.0 Favored 'Isoleucine or valine' 0 C--O 1.235 0.297 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 159.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . 1.137 ' SG ' 'ZN ' ' B' ' 57' ' ' ' ZN' . 45.0 t -68.68 135.69 51.75 Favored 'General case' 0 N--CA 1.45 -0.459 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 165.117 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 9.2 t -56.97 -37.5 71.67 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 112.663 0.616 . . . . 0.0 112.663 178.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.02 -20.8 8.57 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -166.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 5.9 m -85.02 -16.42 40.81 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-O 118.347 -0.835 . . . . 0.0 111.622 166.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 30.4 t0 42.21 50.69 4.5 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 126.084 1.753 . . . . 0.0 111.283 -170.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.86 149.03 18.68 Favored Glycine 0 C--N 1.337 0.612 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -176.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.19 112.58 1.41 Allowed 'General case' 0 C--O 1.232 0.136 0 C-N-CA 127.675 2.39 . . . . 0.0 108.894 -175.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 14.9 mt -112.14 115.32 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 166.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 54.2 tt0 -75.93 87.98 2.9 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 125.004 1.321 . . . . 0.0 108.231 164.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 80.4 mt -70.44 93.85 0.91 Allowed 'General case' 0 C--O 1.234 0.247 0 C-N-CA 124.233 1.013 . . . . 0.0 109.527 -171.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 16.4 m -75.68 98.19 4.01 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 108.028 -1.101 . . . . 0.0 108.028 173.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 17.5 m -112.52 142.07 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 N-CA-C 104.363 -2.458 . . . . 0.0 104.363 172.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -104.39 91.61 3.98 Favored 'General case' 0 N--CA 1.448 -0.538 0 N-CA-C 103.831 -2.655 . . . . 0.0 103.831 -170.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.3 m -153.2 133.44 13.47 Favored 'General case' 0 N--CA 1.439 -0.984 0 C-N-CA 124.709 1.204 . . . . 0.0 111.447 -158.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 14.2 m -57.51 149.4 21.22 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 123.698 0.799 . . . . 0.0 110.365 -179.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -55.3 -41.94 72.99 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 119.455 1.025 . . . . 0.0 113.435 -168.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -80.97 -22.28 39.66 Favored 'General case' 0 CA--C 1.529 0.152 0 O-C-N 121.679 -0.638 . . . . 0.0 112.636 179.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -74.28 -40.17 62.48 Favored 'General case' 0 N--CA 1.448 -0.569 0 C-N-CA 123.398 0.679 . . . . 0.0 109.207 173.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.4 ' HA ' HD23 ' B' ' 37' ' ' LEU . 3.3 tt -58.28 -45.12 88.47 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 125.553 1.541 . . . . 0.0 109.472 169.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 72.1 ttt180 -58.6 -53.93 52.75 Favored 'General case' 0 CA--C 1.515 -0.384 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 176.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 62.0 m -52.92 -52.86 56.29 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.578 1.551 . . . . 0.0 110.21 178.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.2 OUTLIER -65.09 -31.81 73.21 Favored 'General case' 0 CA--C 1.543 0.69 0 O-C-N 121.708 -0.62 . . . . 0.0 110.61 179.377 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -69.77 -25.19 63.69 Favored 'General case' 0 CA--C 1.546 0.788 0 O-C-N 120.317 -1.489 . . . . 0.0 110.912 172.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 18.8 mm-40 -69.88 -35.23 74.5 Favored 'General case' 0 C--N 1.345 0.376 0 CA-C-N 119.854 1.206 . . . . 0.0 109.851 169.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 14.9 mt -57.4 -44.41 84.53 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-N 118.781 0.719 . . . . 0.0 110.239 167.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -60.55 -47.4 86.33 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-N 118.319 0.509 . . . . 0.0 110.825 176.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 16.6 mt -60.11 -30.85 69.54 Favored 'General case' 0 CA--C 1.535 0.375 0 C-N-CA 123.707 0.803 . . . . 0.0 112.328 175.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 18.3 t -69.63 -65.22 0.74 Allowed 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.877 0.871 . . . . 0.0 109.743 174.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 65.6 p -150.3 -23.47 0.24 Allowed 'General case' 0 CA--C 1.533 0.314 0 N-CA-C 115.093 1.516 . . . . 0.0 115.093 -176.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.73 152.7 42.55 Favored 'General case' 0 CA--C 1.529 0.159 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -159.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 2.1 p -138.07 173.28 11.79 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.165 1.786 . . . . 0.0 109.346 178.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 9.0 t80 -131.69 153.65 49.79 Favored 'General case' 0 C--O 1.237 0.431 0 O-C-N 121.188 -0.945 . . . . 0.0 109.22 178.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 13.0 t -139.51 96.47 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.062 0 C-N-CA 126.334 1.853 . . . . 0.0 106.158 -169.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 3.4 p -57.4 154.79 21.54 Favored Pre-proline 0 CA--C 1.539 0.524 0 C-N-CA 124.669 1.188 . . . . 0.0 111.118 -174.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . 0.445 ' HA ' ' HB3' ' B' ' 53' ' ' ALA . 18.3 Cg_endo -58.9 -24.19 71.38 Favored 'Trans proline' 0 CA--C 1.539 0.73 0 C-N-CA 122.393 2.062 . . . . 0.0 113.887 -175.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 26.1 t90 -57.51 -65.24 0.66 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.421 1.488 . . . . 0.0 110.44 171.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.401 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 14.0 p -70.21 -23.05 62.88 Favored 'General case' 0 CA--C 1.51 -0.579 0 CA-C-N 119.11 0.868 . . . . 0.0 112.523 175.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.445 ' HB3' ' HA ' ' B' ' 50' ' ' PRO . . . -60.67 -39.9 90.1 Favored 'General case' 0 N--CA 1.441 -0.898 0 C-N-CA 118.259 -1.376 . . . . 0.0 109.675 177.307 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 24.2 m -71.57 -54.38 10.67 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 127.28 2.232 . . . . 0.0 111.235 173.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 -87.26 -12.55 46.33 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -166.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 . . . . . 0 C--O 1.249 1.042 0 C-N-CA 127.218 2.207 . . . . 0.0 109.937 -166.326 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . 1.127 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ' ZN' . . . . . 1.137 'ZN ' ' SG ' ' B' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.092 0 N-CA-C 110.05 -1.22 . . . . 0.0 110.05 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 m -64.74 90.68 0.08 Allowed 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 125.067 1.347 . . . . 0.0 110.354 178.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -130.97 -0.41 4.18 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.246 1.018 . . . . 0.0 112.441 -173.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 51.0 ttm -67.63 114.06 5.95 Favored 'General case' 0 CA--C 1.531 0.219 0 C-N-CA 123.98 0.912 . . . . 0.0 108.742 173.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -146.91 136.14 22.62 Favored 'General case' 0 N--CA 1.45 -0.437 0 N-CA-C 105.795 -1.928 . . . . 0.0 105.795 166.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -136.22 159.18 71.84 Favored Pre-proline 0 C--O 1.237 0.433 0 CA-C-O 118.867 -0.587 . . . . 0.0 109.972 -158.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 76.6 Cg_endo -75.84 60.25 5.98 Favored 'Trans proline' 0 CA--C 1.539 0.752 0 C-N-CA 124.141 3.228 . . . . 0.0 110.287 178.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -134.1 -72.63 0.49 Allowed 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 125.991 1.716 . . . . 0.0 107.906 -171.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.53 90.04 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.384 0 C-N-CA 126.289 1.836 . . . . 0.0 111.253 -178.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 44.4 m170 -120.8 165.59 14.93 Favored 'General case' 0 C--O 1.226 -0.145 0 C-N-CA 124.319 1.048 . . . . 0.0 109.912 -173.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -136.36 96.94 3.46 Favored 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 123.739 0.816 . . . . 0.0 109.172 -163.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.9 mt -85.89 101.39 10.17 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.242 0 N-CA-C 106.114 -1.81 . . . . 0.0 106.114 173.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tt -67.67 113.82 5.77 Favored 'General case' 0 N--CA 1.447 -0.607 0 O-C-N 120.889 -1.132 . . . . 0.0 108.634 172.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.7 t -125.04 -175.59 3.33 Favored 'General case' 0 N--CA 1.447 -0.6 0 C-N-CA 127.039 2.136 . . . . 0.0 107.697 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.3 m -113.43 158.5 13.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 159.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 52' ' ' CYS . 14.7 t -72.09 129.72 39.19 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 108.56 -0.904 . . . . 0.0 108.56 168.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 7.3 t -57.38 -35.83 70.49 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -173.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.8 ptmm? -105.91 -11.14 16.3 Favored 'General case' 0 C--N 1.339 0.115 0 C-N-CA 124.731 1.213 . . . . 0.0 113.351 -170.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.0 m -105.03 -19.34 13.86 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.736 0.814 . . . . 0.0 112.631 173.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.6 t0 48.22 31.79 2.78 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.864 1.666 . . . . 0.0 111.985 -164.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -104.62 145.4 15.97 Favored Glycine 0 C--N 1.34 0.799 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 -175.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -60.99 113.71 2.69 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 126.75 2.02 . . . . 0.0 109.057 -174.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 12.4 mt -114.82 118.34 58.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 107.823 -1.177 . . . . 0.0 107.823 168.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -78.15 89.51 4.25 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 164.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 67.6 mt -68.65 95.58 0.66 Allowed 'General case' 0 C--N 1.344 0.341 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -171.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.4 m -80.23 101.82 9.1 Favored 'General case' 0 N--CA 1.445 -0.682 0 N-CA-C 108.133 -1.062 . . . . 0.0 108.133 177.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.3 m -118.18 134.36 62.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 N-CA-C 104.521 -2.4 . . . . 0.0 104.521 177.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -98.92 88.52 4.02 Favored 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 102.916 -2.994 . . . . 0.0 102.916 -168.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 27.5 m -148.18 130.3 15.45 Favored 'General case' 0 N--CA 1.442 -0.868 0 O-C-N 120.883 -1.136 . . . . 0.0 110.956 -158.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 13.5 m -60.32 143.43 52.95 Favored 'General case' 0 C--O 1.225 -0.195 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 -174.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -51.31 -36.24 41.7 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 -162.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -99.06 -14.31 19.48 Favored 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -176.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -71.24 -39.64 71.54 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 124.514 1.126 . . . . 0.0 108.357 162.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.547 ' HA ' HD23 ' A' ' 37' ' ' LEU . 4.2 tt -61.15 -46.51 90.26 Favored 'General case' 0 C--N 1.342 0.266 0 C-N-CA 125.66 1.584 . . . . 0.0 110.149 169.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 70.0 ttt180 -56.15 -50.67 70.5 Favored 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 123.981 0.912 . . . . 0.0 108.648 175.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 60.6 m -56.21 -52.32 64.85 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.164 0.986 . . . . 0.0 110.08 178.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.547 HD23 ' HA ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -63.16 -30.28 71.46 Favored 'General case' 0 CA--C 1.547 0.844 0 O-C-N 121.834 -0.541 . . . . 0.0 111.02 178.221 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -71.01 -28.04 64.12 Favored 'General case' 0 CA--C 1.536 0.427 0 O-C-N 120.343 -1.473 . . . . 0.0 111.0 173.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -68.1 -36.17 79.36 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 119.697 1.135 . . . . 0.0 109.381 170.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 17.1 mt -56.83 -46.14 81.87 Favored 'General case' 0 C--N 1.344 0.357 0 CA-C-N 118.578 0.626 . . . . 0.0 110.442 166.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -60.14 -43.4 95.72 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 119.325 0.966 . . . . 0.0 111.433 177.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.5 mt -64.6 -28.87 69.92 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 123.841 0.856 . . . . 0.0 112.259 176.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.5 t -82.63 -57.18 3.44 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.626 1.17 . . . . 0.0 111.625 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.2 p -146.26 -24.55 0.44 Allowed 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 125.94 1.696 . . . . 0.0 115.478 -158.385 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.33 152.21 20.2 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 115.703 1.742 . . . . 0.0 115.703 -158.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.6 p -138.74 173.84 11.15 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.46 1.904 . . . . 0.0 109.286 175.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -129.62 154.0 47.53 Favored 'General case' 0 C--O 1.238 0.48 0 O-C-N 121.108 -0.995 . . . . 0.0 109.145 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . 0.257 2.1 t -138.23 102.33 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 C-N-CA 125.508 1.523 . . . . 0.0 108.44 -175.557 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 5.4 p -57.03 145.82 63.21 Favored Pre-proline 0 CA--C 1.54 0.594 0 C-N-CA 124.353 1.061 . . . . 0.0 111.263 -174.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -61.7 -26.45 79.98 Favored 'Trans proline' 0 C--N 1.352 0.755 0 C-N-CA 121.812 1.675 . . . . 0.0 113.515 -172.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 28.3 t90 -58.21 -62.5 1.79 Allowed 'General case' 0 C--O 1.235 0.31 0 C-N-CA 124.292 1.037 . . . . 0.0 110.317 171.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.4 ' SG ' ' SG ' ' A' ' 16' ' ' CYS . 4.3 p -68.68 -23.33 64.38 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-O 118.885 -0.579 . . . . 0.0 111.755 -176.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.55 -47.05 64.95 Favored 'General case' 0 N--CA 1.438 -1.043 0 O-C-N 123.904 0.752 . . . . 0.0 109.577 176.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 33.4 m -62.87 -43.91 97.54 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 124.42 1.088 . . . . 0.0 110.038 178.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -71.19 -44.4 65.52 Favored 'General case' 0 C--N 1.34 0.185 0 CA-C-O 118.872 -0.585 . . . . 0.0 111.903 -177.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.412 ' OE1' ' HA3' ' B' ' 1' ' ' GLY . 40.2 tt0 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 115.232 -2.318 . . . . 0.0 109.468 -159.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.412 ' HA3' ' OE1' ' A' ' 56' ' ' GLN . . . . . . . . 0 N--CA 1.466 0.671 0 N-CA-C 110.278 -1.129 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 10.6 t -156.76 -164.37 1.62 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.32 1.448 . . . . 0.0 110.08 -179.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -57.93 142.43 46.25 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.466 0.707 . . . . 0.0 109.571 160.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 58.6 ttm -153.83 150.01 27.99 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 105.955 -1.869 . . . . 0.0 105.955 166.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.35 72.78 4.89 Favored 'General case' 0 N--CA 1.45 -0.464 0 C-N-CA 124.41 1.084 . . . . 0.0 109.48 174.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -85.89 150.6 53.32 Favored Pre-proline 0 CA--C 1.536 0.416 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -176.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -72.48 160.36 46.92 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 122.228 1.952 . . . . 0.0 108.504 162.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 74.54 -66.98 0.27 Allowed 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 126.453 1.901 . . . . 0.0 107.706 176.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -58.19 82.96 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 C-N-CA 127.823 2.449 . . . . 0.0 112.805 -177.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -117.69 166.74 12.06 Favored 'General case' 0 CA--C 1.529 0.15 0 O-C-N 121.333 -0.854 . . . . 0.0 109.538 -174.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -137.22 93.78 2.86 Favored 'General case' 0 N--CA 1.461 0.098 0 C-N-CA 123.559 0.744 . . . . 0.0 109.131 -158.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 27.0 mt -85.29 101.6 9.96 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.187 0 N-CA-C 105.919 -1.882 . . . . 0.0 105.919 173.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 tt -65.86 114.27 4.97 Favored 'General case' 0 N--CA 1.448 -0.533 0 O-C-N 121.006 -1.059 . . . . 0.0 108.21 170.339 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 17.5 t -119.71 -176.1 3.1 Favored 'General case' 0 N--CA 1.448 -0.541 0 C-N-CA 126.41 1.884 . . . . 0.0 107.76 172.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -111.61 159.08 11.82 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 159.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . 1.129 ' SG ' 'ZN ' ' B' ' 57' ' ' ' ZN' . 17.0 t -69.56 127.46 33.06 Favored 'General case' 0 N--CA 1.447 -0.622 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 167.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 7.1 t -53.46 -34.91 59.71 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 123.633 0.773 . . . . 0.0 112.799 -174.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 4.6 ptpt -106.07 -22.01 12.99 Favored 'General case' 0 C--N 1.341 0.205 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 -174.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.0 m -94.12 -17.5 22.74 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 118.758 0.708 . . . . 0.0 111.228 179.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 27.5 t0 46.76 36.13 3.61 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.108 1.763 . . . . 0.0 111.435 -166.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -110.01 146.02 17.1 Favored Glycine 0 C--N 1.34 0.785 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 -176.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -60.08 117.31 4.96 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 126.136 1.774 . . . . 0.0 108.78 -174.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 15.9 mt -117.0 121.75 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 167.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -76.46 94.7 3.71 Favored 'General case' 0 N--CA 1.447 -0.582 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 162.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 40.1 mt -72.52 93.78 1.61 Allowed 'General case' 0 C--O 1.235 0.309 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . . . . . . . . . 8.2 m -81.74 93.5 6.82 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 178.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 10.7 m -109.53 128.47 65.53 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 104.161 -2.533 . . . . 0.0 104.161 -177.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -94.54 80.15 3.85 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 103.138 -2.912 . . . . 0.0 103.138 -169.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 15.0 m -145.57 123.65 12.13 Favored 'General case' 0 N--CA 1.438 -1.048 0 C-N-CA 125.473 1.509 . . . . 0.0 109.712 -158.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 4.6 m -57.83 147.53 28.08 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 125.171 1.388 . . . . 0.0 109.094 -171.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.91 -38.5 36.31 Favored 'General case' 0 N--CA 1.465 0.28 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 -162.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -98.83 -12.4 20.87 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 -176.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -72.58 -40.58 66.48 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 125.451 1.5 . . . . 0.0 108.476 163.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.433 ' HA ' HD23 ' B' ' 37' ' ' LEU . 1.3 tt -60.93 -46.12 91.98 Favored 'General case' 0 C--N 1.343 0.32 0 C-N-CA 125.99 1.716 . . . . 0.0 109.623 169.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 71.0 ttt180 -59.09 -50.31 74.55 Favored 'General case' 0 CA--C 1.515 -0.379 0 C-N-CA 124.021 0.928 . . . . 0.0 108.615 177.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 75.6 m -55.67 -51.02 68.68 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 122.95 0.5 . . . . 0.0 109.754 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.433 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.2 OUTLIER -66.3 -28.26 68.55 Favored 'General case' 0 CA--C 1.55 0.974 0 O-C-N 121.78 -0.575 . . . . 0.0 111.839 178.826 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 -66.96 -34.09 77.0 Favored 'General case' 0 CA--C 1.535 0.382 0 O-C-N 120.211 -1.556 . . . . 0.0 109.678 170.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -67.14 -35.72 80.31 Favored 'General case' 0 C--N 1.341 0.234 0 CA-C-N 119.536 1.062 . . . . 0.0 109.581 173.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 32.5 mt -57.14 -44.55 83.48 Favored 'General case' 0 C--N 1.344 0.348 0 CA-C-N 118.647 0.658 . . . . 0.0 110.593 168.002 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -61.95 -44.17 97.32 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 119.325 0.966 . . . . 0.0 111.382 177.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 38.1 mt -64.16 -28.51 69.81 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.639 0.775 . . . . 0.0 111.983 176.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 11.2 t -81.2 -63.2 1.45 Allowed 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 125.837 1.655 . . . . 0.0 112.298 179.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -142.41 -19.62 0.69 Allowed 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 116.192 1.923 . . . . 0.0 116.192 -158.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 mp -105.25 154.32 20.39 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 115.219 1.563 . . . . 0.0 115.219 -160.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.8 p -142.96 175.9 9.49 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 126.356 1.862 . . . . 0.0 109.42 178.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 13.6 t80 -133.46 153.88 51.26 Favored 'General case' 0 C--O 1.237 0.404 0 O-C-N 120.914 -1.116 . . . . 0.0 109.273 178.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 2.3 t -139.44 102.83 1.7 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.046 0 C-N-CA 125.968 1.707 . . . . 0.0 107.104 -173.348 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 4.3 p -56.67 146.66 55.35 Favored Pre-proline 0 N--CA 1.473 0.693 0 C-N-CA 124.62 1.168 . . . . 0.0 111.006 -173.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -59.59 -27.77 85.78 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 121.924 1.749 . . . . 0.0 114.002 -172.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 11.8 t90 -57.22 -65.14 0.67 Allowed 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.581 1.152 . . . . 0.0 110.17 170.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.41 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 10.8 p -66.55 -26.81 67.3 Favored 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 118.585 0.629 . . . . 0.0 111.361 179.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.89 -39.76 90.49 Favored 'General case' 0 N--CA 1.438 -1.059 0 O-C-N 121.734 -0.604 . . . . 0.0 109.63 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 21.7 m -76.76 -47.38 21.89 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.802 1.641 . . . . 0.0 111.258 176.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.425 HD22 ' N ' ' B' ' 55' ' ' ASN . 0.9 OUTLIER -78.58 -15.83 58.1 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.15 0.98 . . . . 0.0 113.466 -169.736 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.246 0.908 0 C-N-CA 127.666 2.386 . . . . 0.0 109.321 -163.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ' ZN' . . . . . 1.129 'ZN ' ' SG ' ' B' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.134 0 N-CA-C 109.056 -1.617 . . . . 0.0 109.056 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 t -65.82 164.99 13.69 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 117.869 0.835 . . . . 0.0 109.533 165.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -154.41 41.64 0.49 Allowed 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 126.483 1.913 . . . . 0.0 108.603 -177.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 19.1 ttt -131.84 127.53 36.77 Favored 'General case' 0 C--O 1.233 0.209 0 C-N-CA 125.274 1.43 . . . . 0.0 107.913 -174.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -167.91 100.18 0.46 Allowed 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 126.764 2.026 . . . . 0.0 109.912 -169.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 -137.22 162.48 55.15 Favored Pre-proline 0 C--O 1.235 0.325 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 -176.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -65.56 176.16 3.7 Favored 'Trans proline' 0 N--CA 1.455 -0.756 0 C-N-CA 121.814 1.676 . . . . 0.0 110.938 173.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 7.8 mp0 61.47 -75.02 0.03 OUTLIER 'General case' 0 N--CA 1.439 -1.011 0 C-N-CA 127.674 2.39 . . . . 0.0 110.465 -171.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.09 83.59 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 127.933 2.493 . . . . 0.0 112.981 -177.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.9 m170 -121.93 165.78 15.44 Favored 'General case' 0 CA--C 1.531 0.227 0 C-N-CA 124.997 1.319 . . . . 0.0 109.885 -171.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.24 102.57 4.53 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 123.617 0.767 . . . . 0.0 109.314 -166.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.5 mt -89.31 100.17 10.39 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.239 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 173.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.5 tt -68.11 114.54 6.71 Favored 'General case' 0 N--CA 1.448 -0.547 0 O-C-N 120.73 -1.231 . . . . 0.0 109.02 171.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.0 t -126.79 -170.52 2.22 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 125.664 1.586 . . . . 0.0 109.188 173.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.6 m -125.43 155.79 34.58 Favored 'Isoleucine or valine' 0 C--O 1.233 0.194 0 C-N-CA 123.7 0.8 . . . . 0.0 109.849 172.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.135 ' SG ' 'ZN ' ' A' ' 57' ' ' ' ZN' . 9.1 t -78.92 123.36 27.19 Favored 'General case' 0 N--CA 1.449 -0.503 0 C-N-CA 125.001 1.32 . . . . 0.0 109.304 179.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.6 t -67.41 -28.28 67.78 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 119.678 1.126 . . . . 0.0 112.61 -172.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.25 -16.92 28.41 Favored 'General case' 0 C--N 1.343 0.325 0 CA-C-N 119.035 0.834 . . . . 0.0 111.67 -172.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.8 p -140.98 2.52 1.74 Allowed 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 -172.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.8 t0 51.06 25.8 2.48 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 127.709 2.404 . . . . 0.0 113.621 -177.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.37 146.05 31.25 Favored Glycine 0 C--N 1.339 0.727 0 N-CA-C 109.831 -1.308 . . . . 0.0 109.831 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -66.49 120.23 13.03 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 125.384 1.473 . . . . 0.0 108.7 176.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.5 mt -123.38 112.12 32.19 Favored 'Isoleucine or valine' 0 C--N 1.341 0.209 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 175.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -80.0 86.98 5.43 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 168.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 34.6 mt -68.42 96.07 0.66 Allowed 'General case' 0 C--O 1.234 0.284 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 -171.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.0 m -84.03 103.71 13.49 Favored 'General case' 0 N--CA 1.444 -0.741 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 -178.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.467 HG12 ' CZ ' ' B' ' 47' ' ' PHE . 3.3 m -119.33 148.82 22.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 N-CA-C 105.682 -1.97 . . . . 0.0 105.682 178.176 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -120.99 82.21 1.89 Allowed 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 105.722 -1.955 . . . . 0.0 105.722 -161.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.3 t -155.66 169.02 25.29 Favored 'General case' 0 C--N 1.345 0.381 0 C-N-CA 123.118 0.567 . . . . 0.0 112.261 -170.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.4 m -62.39 150.95 38.33 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 123.117 0.567 . . . . 0.0 109.834 175.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.12 -44.6 87.82 Favored 'General case' 0 CA--C 1.532 0.254 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -171.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -69.52 -31.73 70.15 Favored 'General case' 0 C--O 1.232 0.161 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -178.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -69.19 -47.25 65.41 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 124.544 1.138 . . . . 0.0 108.847 176.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.62 -42.6 67.9 Favored 'General case' 0 C--O 1.223 -0.336 0 C-N-CA 126.909 2.084 . . . . 0.0 111.661 170.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -71.88 -45.5 61.06 Favored 'General case' 0 CA--C 1.507 -0.684 0 C-N-CA 126.814 2.045 . . . . 0.0 108.55 -175.222 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.5 m -55.39 -49.85 71.26 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 173.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.5 -40.07 68.17 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.727 1.211 . . . . 0.0 111.878 171.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -65.33 -35.03 79.73 Favored 'General case' 0 CA--C 1.535 0.38 0 O-C-N 120.78 -1.2 . . . . 0.0 109.48 176.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -69.54 -31.74 70.13 Favored 'General case' 0 C--N 1.342 0.26 0 CA-C-N 119.71 1.141 . . . . 0.0 110.735 175.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.6 mt -58.69 -49.63 76.85 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 119.164 0.893 . . . . 0.0 109.838 168.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -60.09 -42.54 94.86 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 122.635 0.374 . . . . 0.0 111.362 177.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 6.3 tt -60.87 -38.5 85.81 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.004 1.322 . . . . 0.0 110.599 175.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.6 t -67.18 -62.44 1.43 Allowed 'General case' 0 C--N 1.342 0.24 0 C-N-CA 123.85 0.86 . . . . 0.0 110.443 177.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 33.3 p -151.78 -30.08 0.17 Allowed 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.834 1.254 . . . . 0.0 114.361 -167.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mp -76.24 151.61 36.77 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -162.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 29.9 p -146.3 172.59 13.25 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 122.43 1.109 . . . . 0.0 110.896 170.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.447 ' CD2' HG12 ' B' ' 27' ' ' VAL . 16.5 t80 -118.77 151.57 37.79 Favored 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 106.093 -1.817 . . . . 0.0 106.093 -178.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.523 ' HB ' ' SG ' ' A' ' 52' ' ' CYS . 0.5 OUTLIER -119.49 108.06 22.77 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.416 0 O-C-N 124.081 0.863 . . . . 0.0 108.913 169.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.5 p -52.42 147.51 14.05 Favored Pre-proline 0 CA--C 1.535 0.371 0 C-N-CA 125.087 1.355 . . . . 0.0 110.363 -175.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -58.59 -28.44 85.92 Favored 'Trans proline' 0 C--N 1.352 0.731 0 C-N-CA 121.699 1.599 . . . . 0.0 112.932 -176.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 5.7 t90 -53.4 -61.44 2.3 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.225 1.01 . . . . 0.0 110.605 166.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.523 ' SG ' ' HB ' ' A' ' 48' ' ' VAL . 0.5 OUTLIER -68.41 -30.76 69.74 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-O 118.897 -0.573 . . . . 0.0 111.558 -175.45 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.74 -33.89 76.63 Favored 'General case' 0 N--CA 1.446 -0.667 0 O-C-N 123.64 0.587 . . . . 0.0 110.839 176.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 29.1 m -77.11 -43.59 33.58 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.054 0.942 . . . . 0.0 110.816 176.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -68.3 -39.64 82.01 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 118.448 0.567 . . . . 0.0 111.357 179.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.163 0 C-N-CA 129.9 3.28 . . . . 0.0 113.287 -176.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.17 0 N-CA-C 110.035 -1.226 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 10.7 t -154.62 -177.02 6.19 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 124.927 1.291 . . . . 0.0 107.528 172.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -142.73 176.79 8.78 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.061 1.744 . . . . 0.0 108.498 177.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -158.7 -178.44 7.26 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.936 0.894 . . . . 0.0 110.892 -170.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . 59.05 20.78 8.64 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.599 1.96 . . . . 0.0 114.235 174.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -80.44 162.37 61.26 Favored Pre-proline 0 CA--C 1.537 0.472 0 C-N-CA 124.769 1.228 . . . . 0.0 110.063 173.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -73.22 63.32 4.29 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 124.315 3.344 . . . . 0.0 110.531 175.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -130.31 -76.75 0.54 Allowed 'General case' 0 N--CA 1.447 -0.589 0 C-N-CA 125.788 1.635 . . . . 0.0 108.249 -175.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -55.16 92.55 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.879 2.072 . . . . 0.0 111.474 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -120.2 168.55 11.11 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 124.392 1.077 . . . . 0.0 110.341 -174.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 mtpp -136.53 87.43 2.29 Favored 'General case' 0 C--O 1.231 0.099 0 C-N-CA 124.39 1.076 . . . . 0.0 108.66 -163.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 27.9 mt -82.64 100.07 6.06 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 N-CA-C 106.762 -1.57 . . . . 0.0 106.762 177.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 7.7 tt -68.72 110.72 4.44 Favored 'General case' 0 N--CA 1.446 -0.665 0 O-C-N 121.137 -0.977 . . . . 0.0 108.906 173.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 89.0 m -120.43 -172.65 2.41 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.906 1.282 . . . . 0.0 109.089 170.144 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -115.0 152.94 16.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.225 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 164.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . 1.146 ' SG ' 'ZN ' ' B' ' 57' ' ' ' ZN' . 44.0 t -67.14 130.36 42.85 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 170.231 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 10.0 t -52.77 -33.18 47.36 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 123.939 0.896 . . . . 0.0 113.315 -177.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.71 -18.41 8.99 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -170.181 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.5 m -90.14 -19.01 24.77 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 118.549 -0.738 . . . . 0.0 111.597 168.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 26.9 t0 46.08 37.68 4.06 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.958 1.703 . . . . 0.0 111.488 -166.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -112.96 147.21 18.48 Favored Glycine 0 C--N 1.339 0.728 0 N-CA-C 109.775 -1.33 . . . . 0.0 109.775 -176.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 2.1 tmt_? -61.18 111.59 1.78 Allowed 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 127.321 2.249 . . . . 0.0 109.714 -173.324 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 34.0 mt -107.99 116.62 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 169.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -80.09 88.45 5.4 Favored 'General case' 0 CA--C 1.534 0.352 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 165.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.4 mt -65.88 99.31 0.47 Allowed 'General case' 0 C--N 1.342 0.262 0 N-CA-C 108.248 -1.019 . . . . 0.0 108.248 -174.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.435 HG22 HG23 ' A' ' 48' ' ' VAL 0.256 1.2 m -86.69 88.13 7.6 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 106.797 -1.557 . . . . 0.0 106.797 -173.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.447 HG12 ' CD2' ' A' ' 47' ' ' PHE . 6.5 m -116.56 113.05 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.434 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 -172.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -69.54 97.58 1.04 Allowed 'General case' 0 C--O 1.233 0.226 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 170.334 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 49.0 m -160.25 117.54 2.51 Favored 'General case' 0 N--CA 1.435 -1.217 0 O-C-N 120.779 -1.201 . . . . 0.0 110.305 -159.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 11.2 m -61.99 140.01 58.37 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 124.874 1.27 . . . . 0.0 108.055 -170.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.75 -44.06 27.75 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 -165.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -80.85 -28.16 36.17 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 122.02 0.914 . . . . 0.0 111.873 -172.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -73.02 -42.98 62.62 Favored 'General case' 0 N--CA 1.444 -0.76 0 C-N-CA 125.014 1.326 . . . . 0.0 108.956 172.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.434 ' HA ' HD23 ' B' ' 37' ' ' LEU . 0.3 OUTLIER -57.67 -39.13 76.4 Favored 'General case' 0 C--O 1.223 -0.316 0 C-N-CA 125.733 1.613 . . . . 0.0 111.034 172.225 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -68.0 -46.05 72.38 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 126.337 1.855 . . . . 0.0 108.727 177.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 33.8 m -56.61 -47.87 78.71 Favored 'General case' 0 CA--C 1.541 0.61 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 173.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.1 OUTLIER -55.69 -39.84 71.56 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.572 1.549 . . . . 0.0 111.23 170.725 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -66.15 -31.13 71.8 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 120.513 -1.367 . . . . 0.0 109.495 177.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 26.6 mm-40 -72.45 -34.06 67.49 Favored 'General case' 0 N--CA 1.452 -0.334 0 O-C-N 121.104 -0.998 . . . . 0.0 110.296 173.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 64.5 mt -61.06 -35.24 76.42 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 119.711 1.141 . . . . 0.0 110.59 167.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -61.65 -50.11 73.84 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 124.665 1.186 . . . . 0.0 109.871 175.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 58.0 mt -65.09 -31.68 73.01 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.006 0.922 . . . . 0.0 112.197 175.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 12.1 t -63.93 -55.26 23.88 Favored 'General case' 0 C--O 1.233 0.214 0 C-N-CA 125.34 1.456 . . . . 0.0 110.225 176.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 18.6 m -165.35 -31.16 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.145 0.978 . . . . 0.0 113.004 -175.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 7.3 tt -66.25 108.05 2.17 Favored 'General case' 0 C--N 1.34 0.165 0 CA-C-N 119.555 1.07 . . . . 0.0 112.17 -163.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.6 p -87.3 172.78 9.61 Favored 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 122.32 1.057 . . . . 0.0 108.291 160.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . 0.467 ' CZ ' HG12 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -131.21 147.62 52.62 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 124.103 0.961 . . . . 0.0 109.443 -177.119 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 10.5 t -142.44 102.09 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.93 0 C-N-CA 126.231 1.812 . . . . 0.0 106.794 -165.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 5.2 p -59.62 152.5 56.35 Favored Pre-proline 0 CA--C 1.54 0.567 0 C-N-CA 124.258 1.023 . . . . 0.0 110.996 -176.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_endo -60.54 -25.76 81.36 Favored 'Trans proline' 0 CA--C 1.539 0.745 0 C-N-CA 122.471 2.114 . . . . 0.0 113.534 -173.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 21.9 t90 -57.06 -65.15 0.67 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.754 1.622 . . . . 0.0 110.085 172.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.425 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 30.4 p -70.45 -23.86 62.79 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 118.516 0.598 . . . . 0.0 111.966 177.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.89 -44.35 94.27 Favored 'General case' 0 N--CA 1.441 -0.907 0 C-N-CA 119.262 -0.975 . . . . 0.0 109.181 178.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 23.2 m -73.91 -52.32 13.3 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.175 2.19 . . . . 0.0 111.374 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 37.3 m-80 -102.72 -14.71 16.56 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 113.699 1.0 . . . . 0.0 113.699 -163.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 . . . . . 0 C--O 1.252 1.191 0 CA-C-O 115.246 -2.311 . . . . 0.0 110.438 -159.075 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . 1.135 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ' ZN' . . . . . 1.146 'ZN ' ' SG ' ' B' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 1.376 0 N-CA-C 109.712 -1.355 . . . . 0.0 109.712 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.3 p -66.93 -47.77 70.69 Favored 'General case' 0 C--N 1.343 0.284 0 CA-C-N 118.942 1.371 . . . . 0.0 109.667 172.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 61.69 -38.71 0.12 Allowed 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 128.898 2.879 . . . . 0.0 112.616 -167.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.1 ttt -59.45 136.65 58.04 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 158.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -154.34 166.22 33.9 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 128.976 2.91 . . . . 0.0 105.422 158.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.9 mp0 -89.87 148.45 39.79 Favored Pre-proline 0 CA--C 1.538 0.481 0 C-N-CA 123.284 0.633 . . . . 0.0 110.442 -164.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -77.64 58.96 6.6 Favored 'Trans proline' 0 C--N 1.348 0.542 0 C-N-CA 124.495 3.463 . . . . 0.0 109.578 177.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -150.58 -65.65 0.2 Allowed 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.057 0.943 . . . . 0.0 109.253 -173.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.0 tmm_? -57.31 92.07 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 125.98 1.712 . . . . 0.0 110.505 178.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -126.09 144.4 50.74 Favored 'General case' 0 N--CA 1.463 0.181 0 C-N-CA 124.475 1.11 . . . . 0.0 109.694 -168.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp -125.35 89.9 3.13 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 123.356 0.663 . . . . 0.0 109.97 -158.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 19.0 mt -83.79 104.56 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 106.412 -1.699 . . . . 0.0 106.412 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.8 tt -65.91 113.33 4.31 Favored 'General case' 0 N--CA 1.451 -0.377 0 O-C-N 120.815 -1.178 . . . . 0.0 108.674 168.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.3 t -117.49 -175.94 2.92 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.999 1.72 . . . . 0.0 108.729 172.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.3 m -118.87 162.45 16.98 Favored 'Isoleucine or valine' 0 C--O 1.234 0.288 0 C-N-CA 123.882 0.873 . . . . 0.0 108.933 161.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 1.13 ' SG ' 'ZN ' ' A' ' 57' ' ' ' ZN' . 14.7 t -88.45 113.65 24.26 Favored 'General case' 0 N--CA 1.447 -0.624 0 C-N-CA 125.038 1.335 . . . . 0.0 109.29 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -78.31 6.24 8.73 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -171.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.67 -21.75 12.55 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 170.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 13.4 p -136.29 4.28 2.91 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 113.63 0.974 . . . . 0.0 113.63 -173.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.9 t0 46.11 41.91 9.1 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 127.885 2.474 . . . . 0.0 113.236 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -95.75 148.65 19.06 Favored Glycine 0 C--N 1.338 0.645 0 N-CA-C 109.082 -1.607 . . . . 0.0 109.082 171.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -64.53 131.32 46.73 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 107.447 -1.316 . . . . 0.0 107.447 169.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.1 mt -127.63 119.77 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 171.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -77.69 109.91 12.09 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 107.487 -1.301 . . . . 0.0 107.487 159.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.4 mt -87.95 94.38 9.76 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.096 0.958 . . . . 0.0 108.919 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.0 m -74.73 115.41 14.28 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 106.012 -1.847 . . . . 0.0 106.012 165.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.412 HG12 ' CE2' ' B' ' 47' ' ' PHE . 3.7 m -126.0 137.82 56.51 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.4 0 N-CA-C 103.666 -2.716 . . . . 0.0 103.666 170.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -100.52 96.28 7.28 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 104.449 -2.426 . . . . 0.0 104.449 -168.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.1 m -153.0 132.69 13.1 Favored 'General case' 0 N--CA 1.444 -0.764 0 O-C-N 120.991 -1.068 . . . . 0.0 112.39 -158.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 47.5 m -59.58 142.88 51.8 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.531 0.732 . . . . 0.0 109.114 176.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.21 -35.69 60.17 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 -163.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -100.44 -15.89 17.77 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -174.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -68.65 -41.03 79.95 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 160.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.585 ' HA ' HD23 ' A' ' 37' ' ' LEU . 6.5 tt -61.81 -45.26 94.62 Favored 'General case' 0 C--N 1.345 0.37 0 C-N-CA 125.004 1.321 . . . . 0.0 110.439 172.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -56.68 -49.23 75.73 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 125.023 1.329 . . . . 0.0 108.768 175.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 43.4 m -56.81 -52.22 65.91 Favored 'General case' 0 C--O 1.24 0.571 0 C-N-CA 123.351 0.66 . . . . 0.0 109.887 177.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.585 HD23 ' HA ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -59.93 -31.61 70.01 Favored 'General case' 0 CA--C 1.547 0.863 0 CA-C-O 121.183 0.516 . . . . 0.0 111.015 176.184 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 26.1 tt0 -72.74 -25.68 61.29 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 120.18 -1.575 . . . . 0.0 111.058 175.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 25.1 mm-40 -71.48 -32.76 68.64 Favored 'General case' 0 C--N 1.342 0.254 0 CA-C-N 119.947 1.248 . . . . 0.0 109.664 170.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.7 mt -55.43 -50.02 70.91 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 118.308 0.504 . . . . 0.0 110.68 163.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -57.88 -42.91 85.57 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 118.361 0.528 . . . . 0.0 111.411 177.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.1 tt -61.03 -30.59 70.4 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.855 1.262 . . . . 0.0 112.024 174.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.3 t -70.79 -70.3 0.31 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.024 0.829 . . . . 0.0 110.413 175.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 31.9 p -145.0 -14.67 0.52 Allowed 'General case' 0 N--CA 1.465 0.323 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 178.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.443 HD11 ' OD2' ' B' ' 33' ' ' ASP . 5.8 mp -76.86 147.04 37.34 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-O 121.829 0.823 . . . . 0.0 112.857 -158.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.6 p -145.7 176.59 9.52 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 124.785 1.234 . . . . 0.0 109.229 172.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -117.91 156.06 29.11 Favored 'General case' 0 N--CA 1.445 -0.677 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 -178.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.713 HG23 HG22 ' B' ' 26' ' ' THR . 1.9 m -126.73 102.5 9.68 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.305 0 C-N-CA 124.372 1.069 . . . . 0.0 108.287 173.492 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 1.5 p -48.31 149.24 2.79 Favored Pre-proline 0 CA--C 1.536 0.432 0 C-N-CA 127.749 2.42 . . . . 0.0 111.078 -175.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -57.38 -27.71 76.96 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 122.604 2.203 . . . . 0.0 114.241 -173.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 4.5 t90 -53.5 -60.72 2.94 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 124.435 1.094 . . . . 0.0 110.569 166.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.597 ' SG ' ' HB ' ' A' ' 48' ' ' VAL . 0.5 OUTLIER -76.86 -19.56 57.34 Favored 'General case' 0 C--O 1.234 0.263 0 C-N-CA 123.875 0.87 . . . . 0.0 111.685 -175.371 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.47 -50.81 72.07 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 168.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 20.4 m -71.43 -48.26 50.7 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 126.334 1.853 . . . . 0.0 111.63 -177.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -67.92 -35.2 78.04 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.14 0.576 . . . . 0.0 110.879 -179.011 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 . . . . . 0 C--O 1.251 1.156 0 C-N-CA 125.576 1.55 . . . . 0.0 111.836 -176.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 1.051 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 48.7 m -165.58 177.14 7.57 Favored 'General case' 0 N--CA 1.469 0.499 0 O-C-N 120.456 -1.614 . . . . 0.0 111.075 -173.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 69.88 -48.72 0.62 Allowed 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 128.829 2.852 . . . . 0.0 112.562 175.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' MET . . . . . . . . . . . . . 40.2 tpp -66.63 143.29 57.09 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 160.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.33 77.16 1.86 Allowed 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 165.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -65.95 142.74 98.18 Favored Pre-proline 0 CA--C 1.534 0.357 0 CA-C-O 119.522 -0.275 . . . . 0.0 111.718 -168.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -78.98 39.08 0.77 Allowed 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 124.44 3.427 . . . . 0.0 109.72 168.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -143.48 -70.65 0.31 Allowed 'General case' 0 C--O 1.223 -0.328 0 CA-C-O 117.526 -1.226 . . . . 0.0 109.668 -167.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -53.7 90.38 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 120.862 1.664 . . . . 0.0 112.317 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' HIS . . . . . . . . . . . . . 54.5 m170 -126.29 176.39 7.13 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 126.088 1.755 . . . . 0.0 110.739 -168.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.515 ' HG3' HG23 ' B' ' 26' ' ' THR . 0.0 OUTLIER -143.16 103.5 4.15 Favored 'General case' 0 C--N 1.34 0.187 0 C-N-CA 124.404 1.082 . . . . 0.0 110.041 -164.466 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 56.3 mt -90.09 101.93 12.74 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.286 0 N-CA-C 106.708 -1.589 . . . . 0.0 106.708 168.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 tt -68.4 118.36 11.37 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 120.532 -1.355 . . . . 0.0 108.972 172.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 14.9 t -124.46 -177.25 3.74 Favored 'General case' 0 N--CA 1.45 -0.469 0 C-N-CA 127.082 2.153 . . . . 0.0 108.183 174.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 16.3 m -114.85 160.9 13.97 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 159.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' CYS . . . . . 1.144 ' SG ' 'ZN ' ' B' ' 57' ' ' ' ZN' . 20.9 t -72.15 131.98 43.53 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 123.598 0.759 . . . . 0.0 109.235 170.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' CYS . . . . . . . . . . . . . 9.2 t -55.18 -37.48 67.1 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.66 1.184 . . . . 0.0 112.217 -177.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -107.59 -16.81 14.26 Favored 'General case' 0 C--N 1.342 0.243 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -173.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' CYS . . . . . . . . . . . . . 3.0 m -101.67 -17.72 16.18 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 119.112 0.869 . . . . 0.0 112.104 178.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ASP . . . . . . . . . . . . . 25.3 t0 49.59 27.46 2.14 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 125.706 1.602 . . . . 0.0 111.978 -165.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.54 145.0 17.64 Favored Glycine 0 C--N 1.339 0.726 0 N-CA-C 109.384 -1.486 . . . . 0.0 109.384 -175.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 1.9 tmt_? -62.23 113.96 3.18 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 126.418 1.887 . . . . 0.0 109.074 -175.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 10.7 mt -117.28 114.44 45.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 N-CA-C 107.846 -1.168 . . . . 0.0 107.846 171.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -75.98 92.32 3.13 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 166.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LEU . . . . . . . . . . . . . 42.6 mt -70.29 96.8 1.15 Allowed 'General case' 0 C--N 1.343 0.313 0 N-CA-C 107.237 -1.394 . . . . 0.0 107.237 -174.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' THR . . . . . 0.713 HG22 HG23 ' A' ' 48' ' ' VAL 0.262 10.3 m -90.39 98.77 11.97 Favored 'General case' 0 N--CA 1.442 -0.87 0 N-CA-C 105.285 -2.117 . . . . 0.0 105.285 -169.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 19.8 m -121.97 118.43 55.53 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.468 0 C-N-CA 126.625 1.97 . . . . 0.0 105.687 -171.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -70.14 102.91 2.18 Favored 'General case' 0 C--O 1.231 0.106 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 169.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 71.1 m -160.39 135.59 7.93 Favored 'General case' 0 N--CA 1.447 -0.591 0 C-N-CA 124.349 1.06 . . . . 0.0 109.858 -160.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 21.1 m -71.45 143.76 49.97 Favored 'General case' 0 C--O 1.223 -0.323 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -177.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . . . . . . . . . . . -49.66 -39.42 36.3 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 114.768 1.396 . . . . 0.0 114.768 -164.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -98.36 -12.84 21.05 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 113.803 1.038 . . . . 0.0 113.803 -174.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ASP . . . . . 0.443 ' OD2' HD11 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -72.8 -36.9 67.68 Favored 'General case' 0 N--CA 1.442 -0.87 0 O-C-N 121.491 -0.755 . . . . 0.0 109.312 159.506 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.438 ' HA ' HD23 ' B' ' 37' ' ' LEU . 1.0 OUTLIER -64.03 -41.83 97.29 Favored 'General case' 0 C--O 1.224 -0.239 0 C-N-CA 125.027 1.331 . . . . 0.0 109.309 172.514 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -57.55 -51.7 68.39 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 124.585 1.154 . . . . 0.0 108.121 170.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 66.8 m -58.49 -48.62 80.18 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.321 0.51 . . . . 0.0 110.548 -179.013 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' B' ' 34' ' ' LEU . 0.2 OUTLIER -68.78 -25.47 64.72 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 119.192 0.906 . . . . 0.0 111.502 178.889 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -67.02 -38.37 85.81 Favored 'General case' 0 CA--C 1.536 0.422 0 O-C-N 121.173 -0.954 . . . . 0.0 109.274 168.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -66.87 -30.25 70.37 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.652 173.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 48.8 mt -60.88 -49.1 78.81 Favored 'General case' 0 C--N 1.343 0.305 0 CA-C-N 119.696 1.134 . . . . 0.0 109.922 168.119 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' PHE . . . . . . . . . . . . . 41.5 m-85 -57.0 -41.09 77.82 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 119.587 1.085 . . . . 0.0 111.438 174.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' LEU . . . . . . . . . . . . . 9.7 tt -65.01 -37.96 89.35 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 124.087 0.955 . . . . 0.0 111.884 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 8.8 t -73.66 -61.77 1.72 Allowed 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 126.922 2.089 . . . . 0.0 111.864 -178.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -141.65 -35.21 0.46 Allowed 'General case' 0 N--CA 1.445 -0.713 0 C-N-CA 125.116 1.366 . . . . 0.0 114.43 -158.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.4 mp -91.36 160.89 15.25 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 113.782 1.03 . . . . 0.0 113.782 -160.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' SER . . . . . . . . . . . . . 1.5 p -140.82 175.68 9.42 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 125.449 1.499 . . . . 0.0 109.095 174.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . 0.412 ' CE2' HG12 ' A' ' 27' ' ' VAL . 5.0 t80 -129.78 148.11 51.62 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 121.158 -0.964 . . . . 0.0 109.503 177.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' VAL . . . . . . . . . . . . . 2.3 t -141.89 107.76 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.131 0 N-CA-C 105.846 -1.909 . . . . 0.0 105.846 -174.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' CYS . . . . . . . . . . . . . 1.6 p -57.32 141.44 77.66 Favored Pre-proline 0 CA--C 1.54 0.573 0 C-N-CA 123.946 0.899 . . . . 0.0 109.928 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_endo -62.74 -24.75 74.74 Favored 'Trans proline' 0 CA--C 1.541 0.848 0 C-N-CA 121.369 1.379 . . . . 0.0 113.465 -171.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' TRP . . . . . . . . . . . . . 3.2 t90 -54.09 -66.69 0.35 Allowed 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.986 1.314 . . . . 0.0 109.807 167.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.415 ' SG ' ' SG ' ' B' ' 16' ' ' CYS . 3.1 p -66.54 -22.34 66.16 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 117.741 0.246 . . . . 0.0 111.491 -178.215 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.93 -39.48 87.34 Favored 'General case' 0 N--CA 1.438 -1.063 0 C-N-CA 121.074 -0.251 . . . . 0.0 110.955 177.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' THR . . . . . . . . . . . . . 22.5 m -89.49 -37.75 14.53 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 126.314 1.846 . . . . 0.0 111.18 -174.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.45 -40.27 96.06 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.482 0.583 . . . . 0.0 109.495 169.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 . . . . . 0 C--O 1.253 1.254 0 C-N-CA 129.74 3.216 . . . . 0.0 111.644 175.68 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ' ZN' . . . . . 1.13 'ZN ' ' SG ' ' A' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ' ZN' . . . . . 1.144 'ZN ' ' SG ' ' B' ' 16' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_