data_1it4_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 1it4 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.745 0 CA-C-O 115.628 -2.13 . . . . 71.430000000000007 111.282 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -61.13 147.88 94.41 Favored 'Trans proline' 0 C--N 1.333 -0.275 0 O-C-N 127.755 3.503 . . . . 41.0 110.139 173.328 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.98 -16.25 63.97 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 116.653 -1.641 . . . . 47.640000000000001 113.339 -178.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -94.92 14.97 19.9 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 122.46 2.391 . . . . 47.630000000000003 111.768 175.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -55.65 -46.25 99.76 Favored Pre-proline 0 C--O 1.236 0.374 0 O-C-N 120.896 -1.127 . . . . 38.079999999999998 112.005 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -57.74 -34.55 98.35 Favored 'Trans proline' 0 C--O 1.253 1.251 0 CA-C-N 120.877 1.349 . . . . 33.219999999999999 114.581 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -72.75 -37.38 67.7 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 125.819 2.723 . . . . 72.900000000000006 111.193 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.0 t -65.18 -45.2 94.61 Favored 'Isoleucine or valine' 0 C--O 1.243 0.745 0 CA-C-N 112.597 -2.092 . . . . 33.859999999999999 108.127 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 39.9 tp -58.64 -44.0 89.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 127.612 3.577 . . . . 31.0 109.953 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.25 -37.75 88.6 Favored 'General case' 0 CA--C 1.511 -0.532 0 O-C-N 117.457 -3.277 . . . . 31.52 110.42 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.2 p -67.0 -23.29 65.91 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 114.448 -2.692 . . . . 37.030000000000001 110.811 -177.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -91.75 -3.52 56.11 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 120.723 1.601 . . . . 33.780000000000001 114.161 -177.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.1 p -130.25 31.37 4.64 Favored 'General case' 0 C--O 1.201 -1.456 0 O-C-N 126.075 2.11 . . . . 26.890000000000001 114.709 -172.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -85.1 166.67 16.45 Favored 'General case' 0 C--O 1.253 1.261 0 C-N-CA 125.296 1.439 . . . . 34.590000000000003 108.028 171.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.1 p -78.66 -11.25 59.96 Favored 'General case' 0 C--O 1.245 0.862 0 N-CA-C 116.837 2.162 . . . . 33.07 116.837 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.6 p -75.1 157.43 34.74 Favored 'General case' 0 C--O 1.256 1.441 0 CA-C-O 122.913 1.34 . . . . 37.670000000000002 113.588 -172.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.99 -40.12 79.9 Favored 'General case' 0 N--CA 1.433 -1.292 0 CA-C-O 116.253 -1.832 . . . . 27.640000000000001 110.992 170.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.6 p -68.47 -29.51 68.15 Favored 'General case' 0 N--CA 1.482 1.133 1 C-N-CA 111.082 -4.247 . . . . 37.130000000000003 112.5 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.6 t -67.05 -46.92 72.93 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 120.885 1.675 . . . . 32.159999999999997 110.105 173.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -53.09 -39.7 63.55 Favored 'General case' 0 C--N 1.348 0.522 0 CA-C-O 126.214 2.911 . . . . 29.670000000000002 111.976 174.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -74.58 -36.51 63.03 Favored 'General case' 0 C--N 1.345 0.413 0 O-C-N 116.367 -3.958 . . . . 45.979999999999997 108.161 -175.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.23 -38.72 92.27 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 115.714 -2.394 . . . . 31.899999999999999 108.636 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -67.95 -39.13 83.47 Favored 'General case' 0 C--O 1.278 2.585 0 O-C-N 125.814 1.946 . . . . 35.450000000000003 110.557 178.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 51.3 mt -63.73 -36.65 84.57 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 115.284 -2.566 . . . . 42.799999999999997 113.412 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.23 92.78 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 115.317 -2.553 . . . . 33.799999999999997 110.885 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.33 -38.09 81.18 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 124.735 1.272 . . . . 35.780000000000001 110.767 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -60.06 -35.75 75.82 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 116.653 -1.642 . . . . 55.710000000000001 110.642 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -69.69 -24.8 63.64 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 127.183 2.802 . . . . 88.840000000000003 112.24 176.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -134.42 60.97 1.68 Allowed 'General case' 0 CA--C 1.513 -0.465 0 O-C-N 120.969 -1.082 . . . . 63.590000000000003 108.599 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -56.82 -31.81 65.1 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 124.052 1.882 . . . . 44.530000000000001 110.591 -175.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.1 p -62.56 -37.68 87.1 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 113.735 -3.031 . . . . 58.82 110.63 -175.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.61 -12.72 35.7 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-N 122.796 2.544 . . . . 42.159999999999997 112.831 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -108.97 12.53 25.26 Favored 'General case' 0 C--O 1.246 0.92 0 CA-C-O 125.197 2.427 . . . . 35.68 117.056 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.87 -30.86 62.18 Favored 'General case' 0 CA--C 1.498 -1.055 0 O-C-N 120.463 -1.398 . . . . 35.280000000000001 113.917 -175.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.77 -22.92 67.15 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 116.8 -1.96 . . . . 30.379999999999999 112.048 -175.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -85.21 -14.11 47.85 Favored 'General case' 0 N--CA 1.437 -1.122 0 O-C-N 126.723 2.514 . . . . 34.009999999999998 112.649 -176.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 47.74 50.57 15.21 Favored 'General case' 0 C--N 1.307 -1.26 0 C-N-CA 126.149 1.78 . . . . 43.479999999999997 111.792 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -74.53 153.74 38.94 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 114.011 -3.076 . . . . 34.100000000000001 111.186 172.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -82.79 115.44 21.7 Favored 'General case' 0 CA--C 1.504 -0.814 0 N-CA-C 106.312 -1.736 . . . . 29.350000000000001 106.312 171.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -100.77 17.42 22.06 Favored 'General case' 0 C--O 1.254 1.338 0 O-C-N 119.535 -1.978 . . . . 33.189999999999998 111.833 178.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.5 p -83.72 157.05 22.29 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 115.395 -2.522 . . . . 30.960000000000001 112.516 -172.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.3 t -154.18 144.23 21.95 Favored 'General case' 0 C--N 1.306 -1.31 0 C-N-CA 115.676 -2.41 . . . . 27.190000000000001 109.129 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.9 p30 -105.65 21.69 16.8 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 122.61 1.195 . . . . 30.32 109.145 172.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . 0.365 66.5 mt 54.53 -139.13 1.03 Allowed 'General case' 0 N--CA 1.507 2.387 0 CA-C-O 113.263 -3.256 . . . . 29.239999999999998 108.356 -178.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 60.8 m -94.07 22.54 5.72 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 128.428 3.58 . . . . 27.649999999999999 109.641 -174.839 -55.949 -53.211 92.156 111.13 1.994 106.995 150.121 -56.857 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.6 m -54.66 133.41 46.78 Favored 'General case' 0 N--CA 1.499 1.98 0 C-N-CA 116.777 -1.969 . . . . 31.629999999999999 112.45 174.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.276 67.4 mm-40 75.36 16.53 2.66 Favored 'General case' 0 C--O 1.213 -0.835 0 C-N-CA 127.313 2.245 . . . . 50.189999999999998 113.749 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.32 172.02 9.6 Favored Pre-proline 0 N--CA 1.449 -0.482 0 O-C-N 120.857 -1.152 . . . . 30.960000000000001 109.826 175.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -64.1 163.07 27.05 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.482 2.121 . . . . 28.59 110.903 174.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -61.91 151.39 34.88 Favored 'General case' 0 N--CA 1.428 -1.572 0 CA-C-O 116.711 -1.614 . . . . 32.899999999999999 108.232 -177.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -137.06 67.36 55.71 Favored Pre-proline 0 C--O 1.197 -1.682 0 C-N-CA 128.297 2.639 . . . . 31.030000000000001 107.74 -177.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -51.25 -37.79 60.24 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 123.423 2.749 . . . . 35.759999999999998 114.477 -176.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -86.19 -3.7 59.02 Favored 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 116.56 -2.056 . . . . 63.340000000000003 112.425 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.41 28.43 59.8 Favored Glycine 0 CA--C 1.498 -0.98 0 C-N-CA 115.975 -3.012 . . . . 28.02 115.445 176.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -63.76 136.26 96.64 Favored Pre-proline 0 C--O 1.195 -1.784 2 CA-C-N 125.885 4.842 . . . . 31.210000000000001 108.722 176.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -89.43 90.38 0.37 Allowed 'Trans proline' 0 C--N 1.314 -1.241 0 O-C-N 125.087 2.098 . . . . 31.52 113.897 -170.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -98.64 6.8 46.78 Favored 'General case' 0 C--N 1.318 -0.779 1 CA-C-N 108.31 -4.041 . . . . 27.48 114.05 -177.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -62.62 -37.08 84.89 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 116.884 -1.926 . . . . 31.34 112.588 -176.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 72.9 m -66.59 -40.15 88.78 Favored 'General case' 0 C--O 1.25 1.11 0 C-N-CA 116.625 -2.03 . . . . 32.310000000000002 111.69 -178.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.95 96.43 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 116.403 -2.119 . . . . 23.239999999999998 115.632 172.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 62.8 m -59.96 -35.83 75.8 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 120.449 1.477 . . . . 24.300000000000001 109.309 177.339 -56.857 150.121 92.156 106.995 1.994 111.13 -53.211 -55.949 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.87 -43.03 97.29 Favored 'General case' 0 C--O 1.263 1.795 0 C-N-CA 118.67 -1.212 . . . . 25.890000000000001 112.786 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.9 ttp85 -75.2 -30.4 60.62 Favored 'General case' 0 CA--C 1.509 -0.629 0 C-N-CA 117.095 -1.842 . . . . 24.710000000000001 107.65 -176.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -63.83 -43.96 94.64 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 118.348 -1.341 . . . . 28.120000000000001 110.929 174.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -59.01 -39.89 83.26 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 119.475 -2.016 . . . . 25.469999999999999 110.6 173.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -58.81 -44.53 90.82 Favored 'General case' 0 C--O 1.251 1.174 0 C-N-CA 117.082 -1.847 . . . . 27.02 112.483 177.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.54 -46.53 84.41 Favored Glycine 0 C--O 1.266 2.11 0 CA-C-O 123.814 1.786 . . . . 22.629999999999999 111.811 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -60.03 -50.96 71.66 Favored 'General case' 0 CA--C 1.545 0.757 1 O-C-N 115.875 -4.309 . . . . 27.600000000000001 113.128 178.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -67.54 -38.19 83.84 Favored 'General case' 0 C--O 1.257 1.459 0 C-N-CA 118.675 -1.21 . . . . 27.870000000000001 109.951 -171.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -78.88 -31.41 45.5 Favored 'General case' 0 C--O 1.246 0.921 0 C-N-CA 118.936 -1.105 . . . . 31.609999999999999 112.759 -175.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -76.31 -33.33 59.04 Favored 'General case' 0 N--CA 1.488 1.425 0 CA-C-N 118.684 0.674 . . . . 30.510000000000002 109.388 176.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -64.45 -42.56 95.9 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 118.047 -1.461 . . . . 54.869999999999997 110.653 175.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.88 -26.62 67.71 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 119.432 -0.907 . . . . 36.490000000000002 112.121 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.34 -12.68 51.67 Favored 'General case' 0 C--O 1.21 -0.977 0 CA-C-O 126.444 3.021 . . . . 39.57 110.239 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.75 18.99 57.38 Favored Glycine 0 CA--C 1.537 1.408 0 O-C-N 116.402 -3.936 . . . . 30.489999999999998 109.529 175.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 44.4 p -137.72 39.86 2.39 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 125.495 1.35 . . . . 39.649999999999999 112.932 -178.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -66.6 -44.9 80.85 Favored 'General case' 0 C--O 1.211 -0.921 0 O-C-N 127.424 2.953 . . . . 33.950000000000003 112.419 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . 0.366 20.0 m-20 -60.72 -43.0 98.37 Favored 'General case' 0 C--O 1.267 1.997 0 O-C-N 119.849 -1.782 . . . . 42.619999999999997 109.822 -174.235 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.69 -20.23 62.7 Favored 'General case' 0 C--O 1.252 1.195 0 O-C-N 120.794 -1.191 . . . . 31.940000000000001 112.633 -177.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -113.97 -4.93 13.18 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 116.446 -2.102 . . . . 33.640000000000001 115.899 -177.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -49.8 -46.59 51.1 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 119.97 -1.706 . . . . 33.619999999999997 113.365 -175.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 93.4 p -71.21 -26.88 63.13 Favored 'General case' 0 CA--C 1.512 -0.517 0 C-N-CA 111.966 -3.894 . . . . 43.630000000000003 110.547 -168.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.2 ttp-105 -70.26 -42.0 72.74 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 118.247 -1.381 . . . . 32.149999999999999 109.477 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.6 mt -62.19 -40.16 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 125.165 1.541 . . . . 29.280000000000001 110.136 -178.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -65.43 -41.2 93.77 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 118.424 -1.31 . . . . 30.609999999999999 109.626 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.6 m -66.95 -36.62 82.63 Favored 'General case' 0 C--O 1.257 1.487 0 C-N-CA 118.921 -1.112 . . . . 32.950000000000003 112.416 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.44 -35.61 81.01 Favored 'General case' 0 CA--C 1.508 -0.663 0 O-C-N 124.13 0.894 . . . . 23.32 110.324 178.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -59.01 -48.17 82.55 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 122.852 1.311 . . . . 27.629999999999999 112.16 174.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -59.45 -48.8 80.24 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 112.337 -2.21 . . . . 36.25 112.497 174.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.425 ' CD ' ' HZ1' ' A' ' 93' ' ' LYS . 65.7 mm-40 -58.37 -42.29 86.64 Favored 'General case' 0 N--CA 1.44 -0.961 1 O-C-N 115.289 -4.632 . . . . 40.200000000000003 111.665 175.145 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -58.43 -45.22 88.9 Favored 'General case' 0 C--N 1.358 0.969 0 O-C-N 117.886 -3.009 . . . . 31.210000000000001 112.686 173.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 79.1 mtm -64.13 -44.37 92.39 Favored 'General case' 0 C--O 1.248 0.99 0 O-C-N 120.359 -1.463 . . . . 26.129999999999999 111.379 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.425 ' HZ1' ' CD ' ' A' ' 90' ' ' GLU . 50.3 mtmt -61.6 -33.23 73.54 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 115.763 -2.375 . . . . 43.340000000000003 111.963 176.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 76.1 mtm-85 -63.87 -29.12 70.34 Favored 'General case' 0 N--CA 1.428 -1.566 0 CA-C-N 120.924 1.693 . . . . 29.309999999999999 109.992 175.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 88.0 t -67.38 -45.77 85.03 Favored 'Isoleucine or valine' 0 C--O 1.248 0.994 0 CA-C-N 120.839 1.654 . . . . 28.460000000000001 108.779 173.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 86.9 m -64.64 -20.58 66.37 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 120.043 -1.661 . . . . 26.420000000000002 112.96 -175.487 -67.122 -49.856 -73.225 107.406 1.996 108.296 -79.285 -171.234 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.9 m -59.2 -29.01 67.18 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 126.593 2.433 . . . . 36.770000000000003 110.251 177.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -80.5 3.8 71.71 Favored Glycine 0 C--N 1.347 1.171 0 C-N-CA 116.861 -2.59 . . . . 30.57 116.011 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -112.77 146.01 39.56 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 119.734 1.767 . . . . 58.560000000000002 107.621 175.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.3 t -127.28 -177.4 4.05 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 117.555 -1.658 . . . . 43.490000000000002 110.752 175.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 55.19 -152.02 15.45 Favored Glycine 0 C--O 1.252 1.223 0 C-N-CA 119.898 -1.144 . . . . 29.149999999999999 112.369 -175.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.441 ' HB2' ' HZ3' ' A' ' 103' ' ' LYS 0.278 13.6 mt-10 -55.69 -27.49 50.55 Favored 'General case' 0 C--O 1.238 0.495 0 O-C-N 120.342 -1.681 . . . . 70.060000000000002 114.403 -178.716 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.441 ' HZ3' ' HB2' ' A' ' 102' ' ' GLU 0.311 23.3 mmtm -65.72 -33.13 75.16 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 116.505 -2.078 . . . . 86.310000000000002 109.588 -177.851 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -64.47 -40.26 95.37 Favored 'General case' 0 C--N 1.377 1.775 0 CA-C-O 127.35 3.452 . . . . 26.84 109.962 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 51.4 m -65.16 -37.86 88.73 Favored 'General case' 0 N--CA 1.444 -0.767 0 O-C-N 118.701 -2.5 . . . . 26.84 112.37 -178.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.23 -40.32 82.09 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 113.185 -1.825 . . . . 25.260000000000002 112.908 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 35.3 t -61.25 -48.61 80.67 Favored 'General case' 0 C--O 1.255 1.354 0 CA-C-O 124.66 2.171 . . . . 27.210000000000001 109.019 174.439 -171.234 -79.285 -73.225 108.296 1.996 107.406 -49.856 -67.122 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -61.68 -37.47 84.23 Favored 'General case' 0 C--O 1.251 1.169 0 O-C-N 116.555 -3.841 . . . . 37.969999999999999 112.516 -176.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 28.2 t -67.87 -38.3 82.92 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.026 -0.988 . . . . 51.159999999999997 110.431 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 27.2 m -70.4 -37.63 74.5 Favored 'General case' 0 C--O 1.249 1.064 0 O-C-N 119.618 -1.926 . . . . 29.469999999999999 111.656 175.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.89 90.54 Favored 'General case' 0 C--O 1.248 0.979 0 O-C-N 120.266 -1.521 . . . . 26.379999999999999 111.851 177.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -66.6 -37.52 85.05 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 118.005 -0.998 . . . . 57.299999999999997 110.402 -178.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 97.7 m -65.69 -43.79 88.12 Favored 'General case' 0 C--O 1.211 -0.937 0 O-C-N 127.897 3.248 . . . . 35.270000000000003 107.824 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -62.18 -40.72 96.98 Favored 'General case' 0 C--O 1.258 1.509 0 CA-C-O 124.129 1.919 . . . . 29.98 114.228 174.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -63.07 -46.65 86.44 Favored 'General case' 0 N--CA 1.442 -0.859 0 O-C-N 118.308 -2.745 . . . . 39.950000000000003 111.521 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -62.24 -34.25 76.16 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 115.92 -2.312 . . . . 61.789999999999999 112.148 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.54 -41.02 80.43 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 123.345 1.545 . . . . 33.030000000000001 111.109 -175.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 34.0 m -73.35 -32.9 39.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 115.379 -2.528 . . . . 34.890000000000001 109.763 178.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -61.48 -37.78 84.87 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 109.354 -0.61 . . . . 60.07 109.354 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 44.1 mt -96.43 -30.77 3.91 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.499 0 N-CA-C 113.58 0.955 . . . . 69.0 113.58 -177.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -114.61 2.42 14.52 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 117.428 -3.295 . . . . 72.400000000000006 112.912 -177.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.269 0 CA-C-N 115.243 -0.89 . . . . 67.599999999999994 114.653 -177.672 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.745 0 CA-C-O 115.628 -2.13 . . . . 71.430000000000007 111.282 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -61.13 147.88 94.41 Favored 'Trans proline' 0 C--N 1.333 -0.275 0 O-C-N 127.755 3.503 . . . . 41.0 110.139 173.328 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.98 -16.25 63.97 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 116.653 -1.641 . . . . 47.640000000000001 113.339 -178.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -94.92 14.97 19.9 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 122.46 2.391 . . . . 47.630000000000003 111.768 175.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -55.65 -46.25 99.76 Favored Pre-proline 0 C--O 1.236 0.374 0 O-C-N 120.896 -1.127 . . . . 38.079999999999998 112.005 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -57.74 -34.55 98.35 Favored 'Trans proline' 0 C--O 1.253 1.251 0 CA-C-N 120.877 1.349 . . . . 33.219999999999999 114.581 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -72.75 -37.38 67.7 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 125.819 2.723 . . . . 72.900000000000006 111.193 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.0 t -65.18 -45.2 94.61 Favored 'Isoleucine or valine' 0 C--O 1.243 0.745 0 CA-C-N 112.597 -2.092 . . . . 33.859999999999999 108.127 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 39.9 tp -58.64 -44.0 89.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 127.612 3.577 . . . . 31.0 109.953 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.25 -37.75 88.6 Favored 'General case' 0 CA--C 1.511 -0.532 0 O-C-N 117.457 -3.277 . . . . 31.52 110.42 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.2 p -67.0 -23.29 65.91 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 114.448 -2.692 . . . . 37.030000000000001 110.811 -177.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -91.75 -3.52 56.11 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 120.723 1.601 . . . . 33.780000000000001 114.161 -177.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.1 p -130.25 31.37 4.64 Favored 'General case' 0 C--O 1.201 -1.456 0 O-C-N 126.075 2.11 . . . . 26.890000000000001 114.709 -172.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -85.1 166.67 16.45 Favored 'General case' 0 C--O 1.253 1.261 0 C-N-CA 125.296 1.439 . . . . 34.590000000000003 108.028 171.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.1 p -78.66 -11.25 59.96 Favored 'General case' 0 C--O 1.245 0.862 0 N-CA-C 116.837 2.162 . . . . 33.07 116.837 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.6 p -75.1 157.43 34.74 Favored 'General case' 0 C--O 1.256 1.441 0 CA-C-O 122.913 1.34 . . . . 37.670000000000002 113.588 -172.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.99 -40.12 79.9 Favored 'General case' 0 N--CA 1.433 -1.292 0 CA-C-O 116.253 -1.832 . . . . 27.640000000000001 110.992 170.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.6 p -68.47 -29.51 68.15 Favored 'General case' 0 N--CA 1.482 1.133 1 C-N-CA 111.082 -4.247 . . . . 37.130000000000003 112.5 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.6 t -67.05 -46.92 72.93 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 120.885 1.675 . . . . 32.159999999999997 110.105 173.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -53.09 -39.7 63.55 Favored 'General case' 0 C--N 1.348 0.522 0 CA-C-O 126.214 2.911 . . . . 29.670000000000002 111.976 174.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -74.58 -36.51 63.03 Favored 'General case' 0 C--N 1.345 0.413 0 O-C-N 116.367 -3.958 . . . . 45.979999999999997 108.161 -175.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.23 -38.72 92.27 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 115.714 -2.394 . . . . 31.899999999999999 108.636 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -67.95 -39.13 83.47 Favored 'General case' 0 C--O 1.278 2.585 0 O-C-N 125.814 1.946 . . . . 35.450000000000003 110.557 178.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 51.3 mt -63.73 -36.65 84.57 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 115.284 -2.566 . . . . 42.799999999999997 113.412 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.23 92.78 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 115.317 -2.553 . . . . 33.799999999999997 110.885 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.33 -38.09 81.18 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 124.735 1.272 . . . . 35.780000000000001 110.767 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -60.06 -35.75 75.82 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 116.653 -1.642 . . . . 55.710000000000001 110.642 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -69.69 -24.8 63.64 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 127.183 2.802 . . . . 88.840000000000003 112.24 176.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -134.42 60.97 1.68 Allowed 'General case' 0 CA--C 1.513 -0.465 0 O-C-N 120.969 -1.082 . . . . 63.590000000000003 108.599 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -56.82 -31.81 65.1 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 124.052 1.882 . . . . 44.530000000000001 110.591 -175.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.1 p -62.56 -37.68 87.1 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 113.735 -3.031 . . . . 58.82 110.63 -175.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.61 -12.72 35.7 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-N 122.796 2.544 . . . . 42.159999999999997 112.831 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -108.97 12.53 25.26 Favored 'General case' 0 C--O 1.246 0.92 0 CA-C-O 125.197 2.427 . . . . 35.68 117.056 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.87 -30.86 62.18 Favored 'General case' 0 CA--C 1.498 -1.055 0 O-C-N 120.463 -1.398 . . . . 35.280000000000001 113.917 -175.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.77 -22.92 67.15 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 116.8 -1.96 . . . . 30.379999999999999 112.048 -175.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -85.21 -14.11 47.85 Favored 'General case' 0 N--CA 1.437 -1.122 0 O-C-N 126.723 2.514 . . . . 34.009999999999998 112.649 -176.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 47.74 50.57 15.21 Favored 'General case' 0 C--N 1.307 -1.26 0 C-N-CA 126.149 1.78 . . . . 43.479999999999997 111.792 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -74.53 153.74 38.94 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 114.011 -3.076 . . . . 34.100000000000001 111.186 172.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -82.79 115.44 21.7 Favored 'General case' 0 CA--C 1.504 -0.814 0 N-CA-C 106.312 -1.736 . . . . 29.350000000000001 106.312 171.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -100.77 17.42 22.06 Favored 'General case' 0 C--O 1.254 1.338 0 O-C-N 119.535 -1.978 . . . . 33.189999999999998 111.833 178.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.5 p -83.72 157.05 22.29 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 115.395 -2.522 . . . . 30.960000000000001 112.516 -172.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.3 t -154.18 144.23 21.95 Favored 'General case' 0 C--N 1.306 -1.31 0 C-N-CA 115.676 -2.41 . . . . 27.190000000000001 109.129 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.9 p30 -105.65 21.69 16.8 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 122.61 1.195 . . . . 30.32 109.145 172.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . 0.365 66.5 mt 54.53 -139.13 1.03 Allowed 'General case' 0 N--CA 1.507 2.387 0 CA-C-O 113.263 -3.256 . . . . 29.239999999999998 108.356 -178.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 60.8 m -94.07 22.54 5.72 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 128.428 3.58 . . . . 27.649999999999999 109.641 -174.839 -55.949 -53.211 92.156 111.13 1.994 106.995 150.121 -56.857 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.6 m -54.66 133.41 46.78 Favored 'General case' 0 N--CA 1.499 1.98 0 C-N-CA 116.777 -1.969 . . . . 31.629999999999999 112.45 174.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.276 67.4 mm-40 75.36 16.53 2.66 Favored 'General case' 0 C--O 1.213 -0.835 0 C-N-CA 127.313 2.245 . . . . 50.189999999999998 113.749 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.32 172.02 9.6 Favored Pre-proline 0 N--CA 1.449 -0.482 0 O-C-N 120.857 -1.152 . . . . 30.960000000000001 109.826 175.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -64.1 163.07 27.05 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.482 2.121 . . . . 28.59 110.903 174.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -61.91 151.39 34.88 Favored 'General case' 0 N--CA 1.428 -1.572 0 CA-C-O 116.711 -1.614 . . . . 32.899999999999999 108.232 -177.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -137.06 67.36 55.71 Favored Pre-proline 0 C--O 1.197 -1.682 0 C-N-CA 128.297 2.639 . . . . 31.030000000000001 107.74 -177.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -51.25 -37.79 60.24 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 123.423 2.749 . . . . 35.759999999999998 114.477 -176.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -86.19 -3.7 59.02 Favored 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 116.56 -2.056 . . . . 63.340000000000003 112.425 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.41 28.43 59.8 Favored Glycine 0 CA--C 1.498 -0.98 0 C-N-CA 115.975 -3.012 . . . . 28.02 115.445 176.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -63.76 136.26 96.64 Favored Pre-proline 0 C--O 1.195 -1.784 2 CA-C-N 125.885 4.842 . . . . 31.210000000000001 108.722 176.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -89.43 90.38 0.37 Allowed 'Trans proline' 0 C--N 1.314 -1.241 0 O-C-N 125.087 2.098 . . . . 31.52 113.897 -170.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -98.64 6.8 46.78 Favored 'General case' 0 C--N 1.318 -0.779 1 CA-C-N 108.31 -4.041 . . . . 27.48 114.05 -177.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -62.62 -37.08 84.89 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 116.884 -1.926 . . . . 31.34 112.588 -176.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 72.9 m -66.59 -40.15 88.78 Favored 'General case' 0 C--O 1.25 1.11 0 C-N-CA 116.625 -2.03 . . . . 32.310000000000002 111.69 -178.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.95 96.43 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 116.403 -2.119 . . . . 23.239999999999998 115.632 172.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 62.8 m -59.96 -35.83 75.8 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 120.449 1.477 . . . . 24.300000000000001 109.309 177.339 -56.857 150.121 92.156 106.995 1.994 111.13 -53.211 -55.949 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.87 -43.03 97.29 Favored 'General case' 0 C--O 1.263 1.795 0 C-N-CA 118.67 -1.212 . . . . 25.890000000000001 112.786 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.9 ttp85 -75.2 -30.4 60.62 Favored 'General case' 0 CA--C 1.509 -0.629 0 C-N-CA 117.095 -1.842 . . . . 24.710000000000001 107.65 -176.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -63.83 -43.96 94.64 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 118.348 -1.341 . . . . 28.120000000000001 110.929 174.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -59.01 -39.89 83.26 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 119.475 -2.016 . . . . 25.469999999999999 110.6 173.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -58.81 -44.53 90.82 Favored 'General case' 0 C--O 1.251 1.174 0 C-N-CA 117.082 -1.847 . . . . 27.02 112.483 177.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.54 -46.53 84.41 Favored Glycine 0 C--O 1.266 2.11 0 CA-C-O 123.814 1.786 . . . . 22.629999999999999 111.811 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -60.03 -50.96 71.66 Favored 'General case' 0 CA--C 1.545 0.757 1 O-C-N 115.875 -4.309 . . . . 27.600000000000001 113.128 178.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -67.54 -38.19 83.84 Favored 'General case' 0 C--O 1.257 1.459 0 C-N-CA 118.675 -1.21 . . . . 27.870000000000001 109.951 -171.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -78.88 -31.41 45.5 Favored 'General case' 0 C--O 1.246 0.921 0 C-N-CA 118.936 -1.105 . . . . 31.609999999999999 112.759 -175.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -76.31 -33.33 59.04 Favored 'General case' 0 N--CA 1.488 1.425 0 CA-C-N 118.684 0.674 . . . . 30.510000000000002 109.388 176.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -64.45 -42.56 95.9 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 118.047 -1.461 . . . . 54.869999999999997 110.653 175.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.88 -26.62 67.71 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 119.432 -0.907 . . . . 36.490000000000002 112.121 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.34 -12.68 51.67 Favored 'General case' 0 C--O 1.21 -0.977 0 CA-C-O 126.444 3.021 . . . . 39.57 110.239 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.75 18.99 57.38 Favored Glycine 0 CA--C 1.537 1.408 0 O-C-N 116.402 -3.936 . . . . 30.489999999999998 109.529 175.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 44.4 p -137.72 39.86 2.39 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 125.495 1.35 . . . . 39.649999999999999 112.932 -178.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -66.6 -44.9 80.85 Favored 'General case' 0 C--O 1.211 -0.921 0 O-C-N 127.424 2.953 . . . . 33.950000000000003 112.419 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . 0.366 20.0 m-20 -60.72 -43.0 98.37 Favored 'General case' 0 C--O 1.267 1.997 0 O-C-N 119.849 -1.782 . . . . 42.619999999999997 109.822 -174.235 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.69 -20.23 62.7 Favored 'General case' 0 C--O 1.252 1.195 0 O-C-N 120.794 -1.191 . . . . 31.940000000000001 112.633 -177.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -113.97 -4.93 13.18 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 116.446 -2.102 . . . . 33.640000000000001 115.899 -177.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -49.8 -46.59 51.1 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 119.97 -1.706 . . . . 33.619999999999997 113.365 -175.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 93.4 p -71.21 -26.88 63.13 Favored 'General case' 0 CA--C 1.512 -0.517 0 C-N-CA 111.966 -3.894 . . . . 43.630000000000003 110.547 -168.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.2 ttp-105 -70.26 -42.0 72.74 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 118.247 -1.381 . . . . 32.149999999999999 109.477 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.6 mt -62.19 -40.16 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 125.165 1.541 . . . . 29.280000000000001 110.136 -178.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -65.43 -41.2 93.77 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 118.424 -1.31 . . . . 30.609999999999999 109.626 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.6 m -66.95 -36.62 82.63 Favored 'General case' 0 C--O 1.257 1.487 0 C-N-CA 118.921 -1.112 . . . . 32.950000000000003 112.416 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.44 -35.61 81.01 Favored 'General case' 0 CA--C 1.508 -0.663 0 O-C-N 124.13 0.894 . . . . 23.32 110.324 178.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -59.01 -48.17 82.55 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 122.852 1.311 . . . . 27.629999999999999 112.16 174.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -59.45 -48.8 80.24 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 112.337 -2.21 . . . . 36.25 112.497 174.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -58.37 -42.29 86.64 Favored 'General case' 0 N--CA 1.44 -0.961 1 O-C-N 115.289 -4.632 . . . . 40.200000000000003 111.665 175.145 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -58.43 -45.22 88.9 Favored 'General case' 0 C--N 1.358 0.969 0 O-C-N 117.886 -3.009 . . . . 31.210000000000001 112.686 173.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 79.1 mtm -64.13 -44.37 92.39 Favored 'General case' 0 C--O 1.248 0.99 0 O-C-N 120.359 -1.463 . . . . 26.129999999999999 111.379 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -61.6 -33.23 73.54 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 115.763 -2.375 . . . . 43.340000000000003 111.963 176.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 76.1 mtm-85 -63.87 -29.12 70.34 Favored 'General case' 0 N--CA 1.428 -1.566 0 CA-C-N 120.924 1.693 . . . . 29.309999999999999 109.992 175.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 88.0 t -67.38 -45.77 85.03 Favored 'Isoleucine or valine' 0 C--O 1.248 0.994 0 CA-C-N 120.839 1.654 . . . . 28.460000000000001 108.779 173.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 86.9 m -64.64 -20.58 66.37 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 120.043 -1.661 . . . . 26.420000000000002 112.96 -175.487 -67.122 -49.856 -73.225 107.406 1.996 108.296 -79.285 -171.234 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.9 m -59.2 -29.01 67.18 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 126.593 2.433 . . . . 36.770000000000003 110.251 177.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -80.5 3.8 71.71 Favored Glycine 0 C--N 1.347 1.171 0 C-N-CA 116.861 -2.59 . . . . 30.57 116.011 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -112.77 146.01 39.56 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 119.734 1.767 . . . . 58.560000000000002 107.621 175.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.3 t -127.28 -177.4 4.05 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 117.555 -1.658 . . . . 43.490000000000002 110.752 175.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 55.19 -152.02 15.45 Favored Glycine 0 C--O 1.252 1.223 0 C-N-CA 119.898 -1.144 . . . . 29.149999999999999 112.369 -175.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . 0.278 13.6 mt-10 -55.69 -27.49 50.55 Favored 'General case' 0 C--O 1.238 0.495 0 O-C-N 120.342 -1.681 . . . . 70.060000000000002 114.403 -178.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.311 23.3 mmtm -65.72 -33.13 75.16 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 116.505 -2.078 . . . . 86.310000000000002 109.588 -177.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -64.47 -40.26 95.37 Favored 'General case' 0 C--N 1.377 1.775 0 CA-C-O 127.35 3.452 . . . . 26.84 109.962 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 51.4 m -65.16 -37.86 88.73 Favored 'General case' 0 N--CA 1.444 -0.767 0 O-C-N 118.701 -2.5 . . . . 26.84 112.37 -178.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.23 -40.32 82.09 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 113.185 -1.825 . . . . 25.260000000000002 112.908 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 35.3 t -61.25 -48.61 80.67 Favored 'General case' 0 C--O 1.255 1.354 0 CA-C-O 124.66 2.171 . . . . 27.210000000000001 109.019 174.439 -171.234 -79.285 -73.225 108.296 1.996 107.406 -49.856 -67.122 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -61.68 -37.47 84.23 Favored 'General case' 0 C--O 1.251 1.169 0 O-C-N 116.555 -3.841 . . . . 37.969999999999999 112.516 -176.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 28.2 t -67.87 -38.3 82.92 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.026 -0.988 . . . . 51.159999999999997 110.431 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 27.2 m -70.4 -37.63 74.5 Favored 'General case' 0 C--O 1.249 1.064 0 O-C-N 119.618 -1.926 . . . . 29.469999999999999 111.656 175.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.89 90.54 Favored 'General case' 0 C--O 1.248 0.979 0 O-C-N 120.266 -1.521 . . . . 26.379999999999999 111.851 177.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -66.6 -37.52 85.05 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 118.005 -0.998 . . . . 57.299999999999997 110.402 -178.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 97.7 m -65.69 -43.79 88.12 Favored 'General case' 0 C--O 1.211 -0.937 0 O-C-N 127.897 3.248 . . . . 35.270000000000003 107.824 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -62.18 -40.72 96.98 Favored 'General case' 0 C--O 1.258 1.509 0 CA-C-O 124.129 1.919 . . . . 29.98 114.228 174.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -63.07 -46.65 86.44 Favored 'General case' 0 N--CA 1.442 -0.859 0 O-C-N 118.308 -2.745 . . . . 39.950000000000003 111.521 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -62.24 -34.25 76.16 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 115.92 -2.312 . . . . 61.789999999999999 112.148 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.54 -41.02 80.43 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 123.345 1.545 . . . . 33.030000000000001 111.109 -175.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 34.0 m -73.35 -32.9 39.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 115.379 -2.528 . . . . 34.890000000000001 109.763 178.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -61.48 -37.78 84.87 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 109.354 -0.61 . . . . 60.07 109.354 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 44.1 mt -96.43 -30.77 3.91 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.499 0 N-CA-C 113.58 0.955 . . . . 69.0 113.58 -177.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -114.61 2.42 14.52 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 117.428 -3.295 . . . . 72.400000000000006 112.912 -177.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.269 0 CA-C-N 115.243 -0.89 . . . . 67.599999999999994 114.653 -177.672 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.243 0.745 0 CA-C-O 115.628 -2.13 . . . . 71.43 111.282 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -61.13 147.88 94.41 Favored 'Trans proline' 0 C--N 1.333 -0.275 0 O-C-N 127.755 3.503 . . . . 41.0 110.139 173.328 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.98 -16.25 63.97 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 116.653 -1.641 . . . . 47.64 113.339 -178.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -94.92 14.97 19.9 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 122.46 2.391 . . . . 47.63 111.768 175.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -55.65 -46.25 99.76 Favored Pre-proline 0 C--O 1.236 0.374 0 O-C-N 120.896 -1.127 . . . . 38.08 112.005 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -57.74 -34.55 98.35 Favored 'Trans proline' 0 C--O 1.253 1.251 0 CA-C-N 120.877 1.349 . . . . 33.22 114.581 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -72.75 -37.38 67.7 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 125.819 2.723 . . . . 72.9 111.193 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.0 t -65.18 -45.2 94.61 Favored 'Isoleucine or valine' 0 C--O 1.243 0.745 0 CA-C-N 112.597 -2.092 . . . . 33.86 108.127 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 39.9 tp -58.64 -44.0 89.94 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 127.612 3.577 . . . . 31.0 109.953 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.25 -37.75 88.6 Favored 'General case' 0 CA--C 1.511 -0.532 0 O-C-N 117.457 -3.277 . . . . 31.52 110.42 179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.2 p -67.0 -23.29 65.91 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 114.448 -2.692 . . . . 37.03 110.811 -177.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 16.3 m-30 -91.75 -3.52 56.11 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 120.723 1.601 . . . . 33.78 114.161 -177.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 66.1 p -130.25 31.37 4.64 Favored 'General case' 0 C--O 1.201 -1.456 0 O-C-N 126.075 2.11 . . . . 26.89 114.709 -172.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -85.1 166.67 16.45 Favored 'General case' 0 C--O 1.253 1.261 0 C-N-CA 125.296 1.439 . . . . 34.59 108.028 171.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.1 p -78.66 -11.25 59.96 Favored 'General case' 0 C--O 1.245 0.862 0 N-CA-C 116.837 2.162 . . . . 33.07 116.837 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.6 p -75.1 157.43 34.74 Favored 'General case' 0 C--O 1.256 1.441 0 CA-C-O 122.913 1.34 . . . . 37.67 113.588 -172.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.99 -40.12 79.9 Favored 'General case' 0 N--CA 1.433 -1.292 0 CA-C-O 116.253 -1.832 . . . . 27.64 110.992 170.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 91.6 p -68.47 -29.51 68.15 Favored 'General case' 0 N--CA 1.482 1.133 1 C-N-CA 111.082 -4.247 . . . . 37.13 112.5 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 34.6 t -67.05 -46.92 72.93 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 120.885 1.675 . . . . 32.16 110.105 173.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 51.4 tt0 -53.09 -39.7 63.55 Favored 'General case' 0 C--N 1.348 0.522 0 CA-C-O 126.214 2.911 . . . . 29.67 111.976 174.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -74.58 -36.51 63.03 Favored 'General case' 0 C--N 1.345 0.413 0 O-C-N 116.367 -3.958 . . . . 45.98 108.161 -175.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.23 -38.72 92.27 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 115.714 -2.394 . . . . 31.9 108.636 179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 71.4 t90 -67.95 -39.13 83.47 Favored 'General case' 0 C--O 1.278 2.585 0 O-C-N 125.814 1.946 . . . . 35.45 110.557 178.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 51.3 mt -63.73 -36.65 84.57 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 115.284 -2.566 . . . . 42.8 113.412 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -65.5 -40.23 92.78 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 115.317 -2.553 . . . . 33.8 110.885 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.33 -38.09 81.18 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 124.735 1.272 . . . . 35.78 110.767 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.8 t30 -60.06 -35.75 75.82 Favored 'General case' 0 C--O 1.239 0.521 0 CA-C-O 116.653 -1.642 . . . . 55.71 110.642 179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -69.69 -24.8 63.64 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 127.183 2.802 . . . . 88.84 112.24 176.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -134.42 60.97 1.68 Allowed 'General case' 0 CA--C 1.513 -0.465 0 O-C-N 120.969 -1.082 . . . . 63.59 108.599 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -56.82 -31.81 65.1 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 124.052 1.882 . . . . 44.53 110.591 -175.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 88.1 p -62.56 -37.68 87.1 Favored 'General case' 0 C--O 1.24 0.579 0 CA-C-O 113.735 -3.031 . . . . 58.82 110.63 -175.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.61 -12.72 35.7 Favored 'General case' 0 C--O 1.246 0.9 0 CA-C-N 122.796 2.544 . . . . 42.16 112.831 178.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TRP . . . . . . . . . . . . . 94.5 m95 -108.97 12.53 25.26 Favored 'General case' 0 C--O 1.246 0.92 0 CA-C-O 125.197 2.427 . . . . 35.68 117.056 179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.87 -30.86 62.18 Favored 'General case' 0 CA--C 1.498 -1.055 0 O-C-N 120.463 -1.398 . . . . 35.28 113.917 -175.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.77 -22.92 67.15 Favored 'General case' 0 CA--C 1.512 -0.506 0 C-N-CA 116.8 -1.96 . . . . 30.38 112.048 -175.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -85.21 -14.11 47.85 Favored 'General case' 0 N--CA 1.437 -1.122 0 O-C-N 126.723 2.514 . . . . 34.01 112.649 -176.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 47.74 50.57 15.21 Favored 'General case' 0 C--N 1.307 -1.26 0 C-N-CA 126.149 1.78 . . . . 43.48 111.792 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -74.53 153.74 38.94 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 114.011 -3.076 . . . . 34.1 111.186 172.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -82.79 115.44 21.7 Favored 'General case' 0 CA--C 1.504 -0.814 0 N-CA-C 106.312 -1.736 . . . . 29.35 106.312 171.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -100.77 17.42 22.06 Favored 'General case' 0 C--O 1.254 1.338 0 O-C-N 119.535 -1.978 . . . . 33.19 111.833 178.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.5 p -83.72 157.05 22.29 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 115.395 -2.522 . . . . 30.96 112.516 -172.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.3 t -154.18 144.23 21.95 Favored 'General case' 0 C--N 1.306 -1.31 0 C-N-CA 115.676 -2.41 . . . . 27.19 109.129 179.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.9 p30 -105.65 21.69 16.8 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 122.61 1.195 . . . . 30.32 109.145 172.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . 0.365 66.5 mt 54.53 -139.13 1.03 Allowed 'General case' 0 N--CA 1.507 2.387 0 CA-C-O 113.263 -3.256 . . . . 29.24 108.356 -178.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 60.8 m -94.07 22.54 5.72 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 128.428 3.58 . . . . 27.65 109.641 -174.839 -55.949 -53.211 92.156 111.13 1.994 106.995 150.121 -56.857 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 24.6 m -54.66 133.41 46.78 Favored 'General case' 0 N--CA 1.499 1.98 0 C-N-CA 116.777 -1.969 . . . . 31.63 112.45 174.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . 0.276 67.4 mm-40 75.36 16.53 2.66 Favored 'General case' 0 C--O 1.213 -0.835 0 C-N-CA 127.313 2.245 . . . . 50.19 113.749 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -85.32 172.02 9.6 Favored Pre-proline 0 N--CA 1.449 -0.482 0 O-C-N 120.857 -1.152 . . . . 30.96 109.826 175.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -64.1 163.07 27.05 Favored 'Trans proline' 0 C--N 1.312 -1.383 0 C-N-CA 122.482 2.121 . . . . 28.59 110.903 174.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -61.91 151.39 34.88 Favored 'General case' 0 N--CA 1.428 -1.572 0 CA-C-O 116.711 -1.614 . . . . 32.9 108.232 -177.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -137.06 67.36 55.71 Favored Pre-proline 0 C--O 1.197 -1.682 0 C-N-CA 128.297 2.639 . . . . 31.03 107.74 -177.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -51.25 -37.79 60.24 Favored 'Trans proline' 0 N--CA 1.455 -0.78 0 C-N-CA 123.423 2.749 . . . . 35.76 114.477 -176.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -86.19 -3.7 59.02 Favored 'General case' 0 N--CA 1.436 -1.141 0 C-N-CA 116.56 -2.056 . . . . 63.34 112.425 -178.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 76.41 28.43 59.8 Favored Glycine 0 CA--C 1.498 -0.98 0 C-N-CA 115.975 -3.012 . . . . 28.02 115.445 176.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -63.76 136.26 96.64 Favored Pre-proline 0 C--O 1.195 -1.784 2 CA-C-N 125.885 4.842 . . . . 31.21 108.722 176.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -89.43 90.38 0.37 Allowed 'Trans proline' 0 C--N 1.314 -1.241 0 O-C-N 125.087 2.098 . . . . 31.52 113.897 -170.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PHE . . . . . . . . . . . . . 22.2 m-30 -98.64 6.8 46.78 Favored 'General case' 0 C--N 1.318 -0.779 1 CA-C-N 108.31 -4.041 . . . . 27.48 114.05 -177.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -62.62 -37.08 84.89 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 116.884 -1.926 . . . . 31.34 112.588 -176.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 72.9 m -66.59 -40.15 88.78 Favored 'General case' 0 C--O 1.25 1.11 0 C-N-CA 116.625 -2.03 . . . . 32.31 111.69 -178.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.95 96.43 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 116.403 -2.119 . . . . 23.24 115.632 172.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 62.8 m -59.96 -35.83 75.8 Favored 'General case' 0 CA--C 1.553 1.084 0 CA-C-N 120.449 1.477 . . . . 24.3 109.309 177.339 -56.857 150.121 92.156 106.995 1.994 111.13 -53.211 -55.949 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.87 -43.03 97.29 Favored 'General case' 0 C--O 1.263 1.795 0 C-N-CA 118.67 -1.212 . . . . 25.89 112.786 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.9 ttp85 -75.2 -30.4 60.62 Favored 'General case' 0 CA--C 1.509 -0.629 0 C-N-CA 117.095 -1.842 . . . . 24.71 107.65 -176.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -63.83 -43.96 94.64 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 118.348 -1.341 . . . . 28.12 110.929 174.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -59.01 -39.89 83.26 Favored 'General case' 0 N--CA 1.482 1.163 0 O-C-N 119.475 -2.016 . . . . 25.47 110.6 173.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -58.81 -44.53 90.82 Favored 'General case' 0 C--O 1.251 1.174 0 C-N-CA 117.082 -1.847 . . . . 27.02 112.483 177.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.54 -46.53 84.41 Favored Glycine 0 C--O 1.266 2.11 0 CA-C-O 123.814 1.786 . . . . 22.63 111.811 178.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -60.03 -50.96 71.66 Favored 'General case' 0 CA--C 1.545 0.757 1 O-C-N 115.875 -4.309 . . . . 27.6 113.128 178.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -67.54 -38.19 83.84 Favored 'General case' 0 C--O 1.257 1.459 0 C-N-CA 118.675 -1.21 . . . . 27.87 109.951 -171.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 42.5 m-80 -78.88 -31.41 45.5 Favored 'General case' 0 C--O 1.246 0.921 0 C-N-CA 118.936 -1.105 . . . . 31.61 112.759 -175.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -76.31 -33.33 59.04 Favored 'General case' 0 N--CA 1.488 1.425 0 CA-C-N 118.684 0.674 . . . . 30.51 109.388 176.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 30.2 mttt -64.45 -42.56 95.9 Favored 'General case' 0 N--CA 1.465 0.284 0 C-N-CA 118.047 -1.461 . . . . 54.87 110.653 175.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.88 -26.62 67.71 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 119.432 -0.907 . . . . 36.49 112.121 178.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.34 -12.68 51.67 Favored 'General case' 0 C--O 1.21 -0.977 0 CA-C-O 126.444 3.021 . . . . 39.57 110.239 179.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 86.75 18.99 57.38 Favored Glycine 0 CA--C 1.537 1.408 0 O-C-N 116.402 -3.936 . . . . 30.49 109.529 175.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 44.4 p -137.72 39.86 2.39 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 125.495 1.35 . . . . 39.65 112.932 -178.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -66.6 -44.9 80.85 Favored 'General case' 0 C--O 1.211 -0.921 0 O-C-N 127.424 2.953 . . . . 33.95 112.419 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . 0.366 20.0 m-20 -60.72 -43.0 98.37 Favored 'General case' 0 C--O 1.267 1.997 0 O-C-N 119.849 -1.782 . . . . 42.62 109.822 -174.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.69 -20.23 62.7 Favored 'General case' 0 C--O 1.252 1.195 0 O-C-N 120.794 -1.191 . . . . 31.94 112.633 -177.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -113.97 -4.93 13.18 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 116.446 -2.102 . . . . 33.64 115.899 -177.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 49.4 tttm -49.8 -46.59 51.1 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 119.97 -1.706 . . . . 33.62 113.365 -175.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 93.4 p -71.21 -26.88 63.13 Favored 'General case' 0 CA--C 1.512 -0.517 0 C-N-CA 111.966 -3.894 . . . . 43.63 110.547 -168.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.2 ttp-105 -70.26 -42.0 72.74 Favored 'General case' 0 N--CA 1.44 -0.935 0 C-N-CA 118.247 -1.381 . . . . 32.15 109.477 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 14.6 mt -62.19 -40.16 86.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 125.165 1.541 . . . . 29.28 110.136 -178.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -65.43 -41.2 93.77 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 118.424 -1.31 . . . . 30.61 109.626 178.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.6 m -66.95 -36.62 82.63 Favored 'General case' 0 C--O 1.257 1.487 0 C-N-CA 118.921 -1.112 . . . . 32.95 112.416 179.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.44 -35.61 81.01 Favored 'General case' 0 CA--C 1.508 -0.663 0 O-C-N 124.13 0.894 . . . . 23.32 110.324 178.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 36.3 t80 -59.01 -48.17 82.55 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 122.852 1.311 . . . . 27.63 112.16 174.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -59.45 -48.8 80.24 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 112.337 -2.21 . . . . 36.25 112.497 174.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -58.37 -42.29 86.64 Favored 'General case' 0 N--CA 1.44 -0.961 1 O-C-N 115.289 -4.632 . . . . 40.2 111.665 175.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 74.9 m-20 -58.43 -45.22 88.9 Favored 'General case' 0 C--N 1.358 0.969 0 O-C-N 117.886 -3.009 . . . . 31.21 112.686 173.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' MET . . . . . . . . . . . . . 79.1 mtm -64.13 -44.37 92.39 Favored 'General case' 0 C--O 1.248 0.99 0 O-C-N 120.359 -1.463 . . . . 26.13 111.379 178.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -61.6 -33.23 73.54 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 115.763 -2.375 . . . . 43.34 111.963 176.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 76.1 mtm-85 -63.87 -29.12 70.34 Favored 'General case' 0 N--CA 1.428 -1.566 0 CA-C-N 120.924 1.693 . . . . 29.31 109.992 175.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' VAL . . . . . . . . . . . . . 88.0 t -67.38 -45.77 85.03 Favored 'Isoleucine or valine' 0 C--O 1.248 0.994 0 CA-C-N 120.839 1.654 . . . . 28.46 108.779 173.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' CYS . . . . . . . . . . . . . 86.9 m -64.64 -20.58 66.37 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 120.043 -1.661 . . . . 26.42 112.96 -175.487 -67.122 -49.856 -73.225 107.406 1.996 108.296 -79.285 -171.234 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 31.9 m -59.2 -29.01 67.18 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 126.593 2.433 . . . . 36.77 110.251 177.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -80.5 3.8 71.71 Favored Glycine 0 C--N 1.347 1.171 0 C-N-CA 116.861 -2.59 . . . . 30.57 116.011 177.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -112.77 146.01 39.56 Favored 'General case' 0 C--O 1.243 0.722 0 CA-C-N 119.734 1.767 . . . . 58.56 107.621 175.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 12.3 t -127.28 -177.4 4.05 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 117.555 -1.658 . . . . 43.49 110.752 175.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 55.19 -152.02 15.45 Favored Glycine 0 C--O 1.252 1.223 0 C-N-CA 119.898 -1.144 . . . . 29.15 112.369 -175.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . 0.278 13.6 mt-10 -55.69 -27.49 50.55 Favored 'General case' 0 C--O 1.238 0.495 0 O-C-N 120.342 -1.681 . . . . 70.06 114.403 -178.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.311 23.3 mmtm -65.72 -33.13 75.16 Favored 'General case' 0 N--CA 1.488 1.434 0 C-N-CA 116.505 -2.078 . . . . 86.31 109.588 -177.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -64.47 -40.26 95.37 Favored 'General case' 0 C--N 1.377 1.775 0 CA-C-O 127.35 3.452 . . . . 26.84 109.962 178.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 51.4 m -65.16 -37.86 88.73 Favored 'General case' 0 N--CA 1.444 -0.767 0 O-C-N 118.701 -2.5 . . . . 26.84 112.37 -178.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.23 -40.32 82.09 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 113.185 -1.825 . . . . 25.26 112.908 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 35.3 t -61.25 -48.61 80.67 Favored 'General case' 0 C--O 1.255 1.354 0 CA-C-O 124.66 2.171 . . . . 27.21 109.019 174.439 -171.234 -79.285 -73.225 108.296 1.996 107.406 -49.856 -67.122 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -61.68 -37.47 84.23 Favored 'General case' 0 C--O 1.251 1.169 0 O-C-N 116.555 -3.841 . . . . 37.97 112.516 -176.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 28.2 t -67.87 -38.3 82.92 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.026 -0.988 . . . . 51.16 110.431 179.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 27.2 m -70.4 -37.63 74.5 Favored 'General case' 0 C--O 1.249 1.064 0 O-C-N 119.618 -1.926 . . . . 29.47 111.656 175.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.89 90.54 Favored 'General case' 0 C--O 1.248 0.979 0 O-C-N 120.266 -1.521 . . . . 26.38 111.851 177.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -66.6 -37.52 85.05 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-O 118.005 -0.998 . . . . 57.3 110.402 -178.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 97.7 m -65.69 -43.79 88.12 Favored 'General case' 0 C--O 1.211 -0.937 0 O-C-N 127.897 3.248 . . . . 35.27 107.824 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -62.18 -40.72 96.98 Favored 'General case' 0 C--O 1.258 1.509 0 CA-C-O 124.129 1.919 . . . . 29.98 114.228 174.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -63.07 -46.65 86.44 Favored 'General case' 0 N--CA 1.442 -0.859 0 O-C-N 118.308 -2.745 . . . . 39.95 111.521 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 42.2 mm-40 -62.24 -34.25 76.16 Favored 'General case' 0 CA--C 1.512 -0.485 0 C-N-CA 115.92 -2.312 . . . . 61.79 112.148 178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.54 -41.02 80.43 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 123.345 1.545 . . . . 33.03 111.109 -175.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . . . . . . . . . 34.0 m -73.35 -32.9 39.03 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 115.379 -2.528 . . . . 34.89 109.763 178.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 36.2 tttp -61.48 -37.78 84.87 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 109.354 -0.61 . . . . 60.07 109.354 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ILE . . . . . . . . . . . . . 44.1 mt -96.43 -30.77 3.91 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.499 0 N-CA-C 113.58 0.955 . . . . 69.0 113.58 -177.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -114.61 2.42 14.52 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 117.428 -3.295 . . . . 72.4 112.912 -177.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.269 0 CA-C-N 115.243 -0.89 . . . . 67.6 114.653 -177.672 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_