data_2kvu_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 2kvu _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 ' 22' ' ' LEU . . . . . 0.605 HD11 HD12 ' A' ' 26' ' ' LEU . 79.2 mt . . . . . 0 C--O 1.234 0.261 0 N-CA-C 110.316 -0.253 . . . . 73.530000000000001 110.316 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.435 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 42.9 Cg_endo -71.63 144.28 44.13 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 121.938 1.759 . . . . 72.239999999999995 110.546 169.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.62 12.65 1.95 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.869 0.366 . . . . 74.040000000000006 111.256 -175.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -122.01 28.57 7.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.181 -0.463 . . . . 74.25 110.483 -173.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.605 HD12 HD11 ' A' ' 22' ' ' LEU . 96.3 mt -56.91 -46.69 81.8 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.032 -0.531 . . . . 74.209999999999994 111.904 -176.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -69.6 -27.19 64.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.169 -0.469 . . . . 75.209999999999994 111.231 -176.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -79.8 -13.05 59.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.793 0.33 . . . . 73.420000000000002 111.321 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.461 ' HE1' HD23 ' A' ' 34' ' ' LEU . 60.2 mtm -87.09 170.21 11.72 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.698 -0.482 . . . . 72.129999999999995 109.698 174.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.503 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -101.43 175.97 5.4 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.469 -0.332 . . . . 65.209999999999994 110.977 -175.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.6 t -58.89 -47.38 89.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.732 -0.667 . . . . 75.319999999999993 111.785 -176.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.45 -32.4 71.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.762 0.315 . . . . 64.310000000000002 110.883 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.503 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 5.4 mm-40 -65.03 -45.13 86.71 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.68 -0.489 . . . . 73.200000000000003 109.68 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.461 HD23 ' HE1' ' A' ' 29' ' ' MET . 95.9 mt -64.6 -37.44 87.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.764 -0.653 . . . . 75.140000000000001 110.601 178.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.544 ' HA ' HD12 ' A' ' 38' ' ' LEU . 94.1 mttt -65.84 -25.37 67.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.033 -0.531 . . . . 75.340000000000003 111.145 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -59.76 -46.82 87.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.758 -0.201 . . . . 73.540000000000006 110.663 176.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -65.92 -45.94 80.07 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.748 -0.381 . . . . 71.310000000000002 110.513 176.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 35' ' ' LYS . 87.0 mt -54.2 -56.35 19.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.262 -0.426 . . . . 74.340000000000003 111.849 -177.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -65.84 -26.35 67.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.66 0.267 . . . . 74.329999999999998 111.523 -174.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.7 mt -87.05 -33.56 19.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.58 -0.282 . . . . 71.319999999999993 111.642 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -94.66 18.21 11.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.815 -0.175 . . . . 74.200000000000003 111.421 -176.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.0 m 65.68 52.34 1.33 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.323 0.582 . . . . 73.239999999999995 111.258 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.456 HD22 ' HG2' ' A' ' 55' ' ' ARG . 28.6 mt -128.88 133.16 24.89 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.947 -0.57 . . . . 72.129999999999995 110.89 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -65.91 128.97 20.87 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 122.554 2.169 . . . . 75.340000000000003 111.928 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.3 m -89.4 12.94 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.123 -0.49 . . . . 71.25 111.582 -176.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 m -78.48 114.3 17.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.189 -0.46 . . . . 72.420000000000002 111.12 -177.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 143.23 -163.94 27.35 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.47 -0.871 . . . . 64.129999999999995 112.898 176.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.647 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 32.4 p -98.83 171.04 8.33 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.222 -0.288 . . . . 73.129999999999995 110.222 178.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -55.33 -35.67 65.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.005 0.431 . . . . 71.230000000000004 110.196 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.7 m -57.09 -47.62 80.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.53 -0.759 . . . . 74.040000000000006 110.534 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -65.76 -41.88 91.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.934 -0.575 . . . . 74.319999999999993 110.992 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 48' ' ' THR . 31.4 mt -57.62 -48.55 79.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.312 -0.403 . . . . 75.420000000000002 111.028 -176.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.7 mt -63.15 -47.2 93.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.431 -0.349 . . . . 73.439999999999998 110.957 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -63.51 -38.6 91.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.306 -0.406 . . . . 75.019999999999996 111.212 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.456 ' HG2' HD22 ' A' ' 43' ' ' LEU . 24.5 ttm180 -67.51 -39.86 85.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.01 -0.541 . . . . 75.329999999999998 110.216 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 70.9 mt -62.33 -43.18 99.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.985 -0.552 . . . . 75.310000000000002 110.136 173.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -59.47 -43.09 93.31 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 115.81 -0.632 . . . . 63.409999999999997 111.104 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.38 88.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.939 0.4 . . . . 71.019999999999996 111.47 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -72.93 -21.9 60.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.435 0.636 . . . . 62.149999999999999 110.187 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.445 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -85.41 -38.48 18.63 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.591 -0.731 . . . . 61.219999999999999 109.176 176.416 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -61.66 -32.83 73.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.507 -0.769 . . . . 74.439999999999998 111.902 -174.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.151 0.5 . . . . 73.400000000000006 110.972 177.716 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.3 mt . . . . . 0 N--CA 1.454 -0.245 0 CA-C-O 120.612 0.244 . . . . 75.030000000000001 110.834 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.483 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 72.5 Cg_endo -77.88 151.94 28.17 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.39 2.06 . . . . 65.319999999999993 111.396 173.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.69 12.78 2.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.118 0.485 . . . . 65.230000000000004 111.094 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -104.35 16.12 26.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.923 -0.58 . . . . 70.299999999999997 110.916 -178.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 23' ' ' PRO . 92.3 mt -57.97 -35.31 71.0 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.916 0.389 . . . . 74.200000000000003 110.979 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.11 -28.29 69.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.952 -0.567 . . . . 62.149999999999999 111.369 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -85.78 -31.6 22.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.882 0.372 . . . . 65.209999999999994 110.273 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 89.4 mtp -62.15 140.99 58.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.787 -0.642 . . . . 74.209999999999994 110.495 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.604 ' HD2' ' N ' ' A' ' 30' ' ' LYS . 7.1 mptt -84.07 171.06 13.25 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.512 -0.767 . . . . 73.140000000000001 110.709 -174.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.485 HG13 ' HE3' ' A' ' 35' ' ' LYS . 60.6 t -56.41 -41.74 72.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.914 0.388 . . . . 73.340000000000003 109.992 177.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.445 ' O ' ' HG2' ' A' ' 36' ' ' GLN . . . -62.19 -43.95 97.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.724 -0.671 . . . . 64.409999999999997 110.773 177.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -62.94 -40.17 96.84 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.208 -0.451 . . . . 71.400000000000006 110.916 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 85.9 mt -65.61 -40.82 93.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.114 -0.493 . . . . 64.340000000000003 110.554 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.485 ' HE3' HG13 ' A' ' 31' ' ' VAL . 98.0 mttt -61.01 -33.21 72.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.124 -0.489 . . . . 75.420000000000002 111.257 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 17.2 mm100 -61.21 -46.39 90.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.4 -0.363 . . . . 75.209999999999994 110.587 178.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -69.11 -34.58 75.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.22 -0.445 . . . . 72.209999999999994 110.816 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.526 HD13 ' HA ' ' A' ' 45' ' ' VAL . 90.5 mt -65.3 -55.23 19.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.133 -0.485 . . . . 74.530000000000001 111.202 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -64.39 -34.49 78.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.709 0.29 . . . . 73.540000000000006 111.319 -174.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.7 mt -80.71 -10.28 59.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.529 -0.305 . . . . 74.450000000000003 111.766 -176.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -118.99 13.75 13.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.592 0.234 . . . . 75.150000000000006 110.776 178.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.8 m 62.71 69.36 0.6 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.749 -0.66 . . . . 61.539999999999999 110.852 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.2 mt -139.29 148.84 58.5 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.606 -0.724 . . . . 74.329999999999998 110.434 -178.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.642 ' HG2' ' HD3' ' A' ' 55' ' ' ARG . 20.4 Cg_endo -62.8 122.05 10.2 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.503 2.136 . . . . 63.329999999999998 111.834 176.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.526 ' HA ' HD13 ' A' ' 38' ' ' LEU . 27.7 m -92.91 6.21 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.831 -0.622 . . . . 73.019999999999996 111.949 -175.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.3 m -101.68 139.86 36.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.803 0.335 . . . . 73.439999999999998 110.688 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 140.29 -178.43 19.91 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.926 -0.579 . . . . 75.209999999999994 112.005 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.553 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 22.2 p -83.0 161.63 21.68 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.995 -0.372 . . . . 65.540000000000006 109.995 177.162 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.23 -39.65 83.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.479 0.18 . . . . 73.239999999999995 111.13 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.4 m -56.86 -48.18 78.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.016 0.436 . . . . 73.439999999999998 110.405 177.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -62.39 -46.27 89.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.732 -0.667 . . . . 72.209999999999994 110.983 177.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 48' ' ' THR . 85.4 mt -62.05 -46.1 90.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 73.120000000000005 111.611 -176.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.52 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 69.0 mt -61.33 -50.49 80.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 120.702 0.287 . . . . 74.140000000000001 110.812 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -67.81 -25.82 65.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.492 -0.322 . . . . 74.140000000000001 110.798 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.642 ' HD3' ' HG2' ' A' ' 44' ' ' PRO . 37.9 ttm180 -65.84 -41.79 91.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.184 -0.462 . . . . 75.019999999999996 110.203 176.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 77.1 mt -66.09 -43.98 85.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.859 -0.61 . . . . 74.329999999999998 110.281 175.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 53.6 mtp180 -62.58 -40.09 95.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 75.530000000000001 110.298 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.14 -34.81 79.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 74.040000000000006 110.932 177.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -66.39 -40.9 89.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.106 -0.497 . . . . 74.439999999999998 110.37 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.22 -36.32 66.44 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.338 -0.392 . . . . 74.109999999999999 110.058 178.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -71.6 -22.3 61.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.811 -0.631 . . . . 65.25 111.835 -177.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 121.896 -0.503 . . . . 72.329999999999998 110.651 176.473 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.475 HD13 ' HB3' ' A' ' 56' ' ' LEU . 97.6 mt . . . . . 0 N--CA 1.455 -0.207 0 N-CA-C 110.168 -0.308 . . . . 74.450000000000003 110.168 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.53 126.61 20.36 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.397 2.065 . . . . 74.209999999999994 110.984 173.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.05 -45.78 75.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.157 -0.474 . . . . 64.420000000000002 111.798 -176.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -86.19 67.6 10.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.991 0.424 . . . . 61.299999999999997 111.538 -178.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.5 -19.84 64.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.264 0.554 . . . . 71.109999999999999 109.633 173.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -67.73 -33.25 74.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.276 -0.875 . . . . 62.43 110.712 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.13 -15.76 54.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.232 -0.44 . . . . 74.230000000000004 110.874 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 94.5 mmm -73.37 146.51 45.13 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.129 -0.487 . . . . 72.439999999999998 110.848 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.492 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 63.4 mttp -66.34 157.73 31.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.087 -0.506 . . . . 74.030000000000001 111.064 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.1 -46.97 92.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.628 -0.714 . . . . 75.549999999999997 110.438 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.42 ' O ' ' HG2' ' A' ' 36' ' ' GLN . . . -66.23 -31.22 71.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.063 -0.517 . . . . 70.129999999999995 110.979 179.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.492 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 67.9 mm-40 -72.9 -34.36 66.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.317 -0.401 . . . . 75.430000000000007 110.743 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 97.2 mt -62.2 -41.14 98.07 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.55 -0.537 . . . . 73.409999999999997 109.55 173.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.537 ' HA ' HD12 ' A' ' 38' ' ' LEU . 99.5 mttt -63.11 -35.43 80.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.376 -0.829 . . . . 73.310000000000002 110.67 177.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 16.3 mm100 -60.94 -46.61 90.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 75.219999999999999 110.673 177.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.457 ' HB3' HH12 ' A' ' 41' ' ' ARG . 39.5 mm-40 -70.14 -22.69 62.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.829 -0.623 . . . . 75.219999999999999 111.174 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 35' ' ' LYS . 82.4 mt -77.21 -53.86 7.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 74.310000000000002 110.725 176.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -63.87 -24.34 67.71 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.34 -0.391 . . . . 75.409999999999997 111.885 -174.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.8 mt -75.12 -23.92 57.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.766 0.317 . . . . 71.409999999999997 111.251 178.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.457 HH12 ' HB3' ' A' ' 37' ' ' GLU . 73.2 mtt85 -115.2 21.63 14.0 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.166 -0.47 . . . . 75.209999999999994 110.977 -174.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.0 m 63.68 32.09 14.01 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.472 -0.786 . . . . 62.109999999999999 111.668 175.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.9 mt -100.17 140.7 21.68 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.041 -0.527 . . . . 75.219999999999999 110.973 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -65.04 127.55 18.72 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.656 2.237 . . . . 64.430000000000007 112.14 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.47 HG13 ' HB2' ' A' ' 38' ' ' LEU . 32.0 m -95.75 7.93 6.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.12 -0.491 . . . . 64.5 111.353 -177.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.3 p -91.19 99.69 12.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.038 -0.528 . . . . 65.209999999999994 111.307 -176.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 169.05 -174.53 43.56 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.995 -0.622 . . . . 64.099999999999994 111.94 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.643 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 41.6 p -78.75 168.95 18.98 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.242 -0.281 . . . . 74.530000000000001 110.242 177.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -58.18 -38.03 75.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.015 0.436 . . . . 74.540000000000006 109.927 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.7 m -58.25 -47.94 82.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.628 -0.715 . . . . 74.099999999999994 110.326 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.491 ' O ' ' HB2' ' A' ' 55' ' ' ARG . 73.8 mm-40 -64.86 -37.7 88.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.848 -0.615 . . . . 63.329999999999998 111.31 -179.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' A' ' 48' ' ' THR . 54.7 mt -61.31 -46.09 91.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.927 0.394 . . . . 63.350000000000001 110.351 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.522 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 81.3 mt -62.39 -53.1 51.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.809 -0.632 . . . . 74.430000000000007 111.042 178.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -64.63 -27.11 68.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 64.430000000000007 110.961 -176.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.491 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -65.66 -49.16 69.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 73.230000000000004 109.977 178.337 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.475 ' HB3' HD13 ' A' ' 22' ' ' LEU . 78.6 mt -59.72 -45.81 91.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.537 -0.756 . . . . 73.109999999999999 110.591 177.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.522 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 81.8 mtp180 -56.78 -48.31 78.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.74 -0.664 . . . . 71.120000000000005 110.794 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.52 -27.84 67.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 63.439999999999998 111.702 -177.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.401 ' CE2' ' HB3' ' A' ' 41' ' ' ARG . 66.5 t80 -72.47 -52.02 17.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.498 -0.319 . . . . 73.409999999999997 110.277 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.1 tm0? -65.53 -33.05 75.02 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.162 0.506 . . . . 74.349999999999994 110.069 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -57.92 -40.11 79.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.531 -0.759 . . . . 75.140000000000001 111.267 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.774 0.321 . . . . 65.329999999999998 111.231 -178.921 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.414 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 86.9 mt . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.622 0.249 . . . . 74.129999999999995 110.859 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.549 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 58.7 Cg_endo -74.63 147.64 35.93 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.573 2.182 . . . . 64.439999999999998 111.156 172.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.09 -6.25 52.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.118 0.485 . . . . 72.25 111.115 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.425 ' O ' ' HG3' ' A' ' 29' ' ' MET . 14.2 m120 -96.96 33.86 1.82 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.065 -0.516 . . . . 71.5 110.572 -176.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 23' ' ' PRO . 96.6 mt -58.25 -32.44 68.36 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.27 0.47 . . . . 73.310000000000002 112.27 -177.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -82.26 -26.72 32.94 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.808 -0.357 . . . . 71.420000000000002 110.739 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -71.13 -31.18 67.42 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.418 0.628 . . . . 75.549999999999997 109.637 174.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.476 ' O ' ' HE3' ' A' ' 49' ' ' LYS . 87.8 mtp -64.73 145.02 56.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.101 -0.954 . . . . 73.420000000000002 110.192 176.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.445 ' HB2' ' OE1' ' A' ' 33' ' ' GLU . 38.1 mttp -85.09 178.53 7.51 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.162 -0.472 . . . . 73.430000000000007 110.019 -178.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.6 t -64.27 -29.32 47.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.17 -0.468 . . . . 75.239999999999995 110.399 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.0 -59.38 3.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.976 -0.556 . . . . 63.5 111.636 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.445 ' OE1' ' HB2' ' A' ' 30' ' ' LYS . 1.2 pm0 -61.95 -32.06 72.45 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.883 0.327 . . . . 74.150000000000006 111.883 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 73.2 mt -62.03 -43.33 99.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.899 0.38 . . . . 73.25 110.379 175.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.403 ' HE2' ' O ' ' A' ' 45' ' ' VAL . 98.2 mttt -67.89 -34.99 77.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 75.540000000000006 110.503 177.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -59.0 -47.73 84.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.769 0.318 . . . . 70.400000000000006 110.385 175.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -59.23 -31.06 68.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 72.510000000000005 111.358 178.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.458 HD22 ' HD2' ' A' ' 55' ' ' ARG . 88.4 mt -77.68 -55.16 5.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.325 -0.398 . . . . 74.239999999999995 111.271 179.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -64.57 -28.87 69.93 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.059 0.392 . . . . 75.129999999999995 112.059 -173.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.8 mt -76.93 -10.49 59.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.893 0.378 . . . . 75.319999999999993 111.076 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.3 mtt85 -116.92 14.58 15.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.325 -0.398 . . . . 73.549999999999997 110.839 179.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.6 m 64.29 37.88 8.31 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.856 -0.611 . . . . 73.010000000000005 111.287 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.4 mt -107.27 150.1 39.55 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.743 -0.662 . . . . 73.120000000000005 110.148 177.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -65.17 128.74 21.18 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.699 2.266 . . . . 72.319999999999993 111.577 175.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.403 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 33.1 m -93.87 7.75 5.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.964 0.411 . . . . 74.400000000000006 111.598 -174.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.0 m -84.74 140.32 31.35 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.379 -0.373 . . . . 74.430000000000007 110.673 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 136.83 174.08 13.17 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.915 -0.659 . . . . 52.25 112.261 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.625 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 36.9 p -90.4 -175.97 4.64 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 122.199 0.2 . . . . 71.230000000000004 111.212 178.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.521 ' HE2' HD12 ' A' ' 53' ' ' ILE . 23.7 tptm -52.82 -61.39 2.32 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 122.588 0.355 . . . . 73.349999999999994 111.823 -175.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.5 m -60.49 -37.22 80.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.534 -0.303 . . . . 62.140000000000001 111.66 -177.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -64.39 -42.63 96.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.664 -0.244 . . . . 64.349999999999994 111.305 -177.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' A' ' 48' ' ' THR . 64.7 mt -62.42 -44.26 96.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.144 0.497 . . . . 75.530000000000001 110.082 178.185 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.521 HD12 ' HE2' ' A' ' 49' ' ' LYS . 67.3 mt -60.44 -49.26 85.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.451 -0.795 . . . . 75.25 110.713 177.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -65.64 -40.06 92.1 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.562 -0.744 . . . . 75.420000000000002 111.465 -174.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.458 ' HD2' HD22 ' A' ' 38' ' ' LEU . 41.3 ttm-85 -61.38 -41.1 96.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.773 0.32 . . . . 72.409999999999997 110.153 178.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 77.3 mt -59.09 -47.06 86.64 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.071 -0.513 . . . . 74.239999999999995 110.404 175.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.9 mtp85 -60.14 -44.28 95.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.699 -0.682 . . . . 75.319999999999993 111.376 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.63 -33.29 75.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.057 0.456 . . . . 73.150000000000006 111.247 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -70.92 -43.55 68.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.123 -0.49 . . . . 74.510000000000005 110.532 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.414 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 17.7 tm0? -69.29 -35.97 76.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.154 0.502 . . . . 74.019999999999996 110.013 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -63.44 -43.27 97.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.461 -0.79 . . . . 70.430000000000007 111.269 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.343 -0.39 . . . . 75.420000000000002 111.61 -176.207 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.3 mt . . . . . 0 CA--C 1.523 -0.095 0 CA-C-O 120.57 0.224 . . . . 75.510000000000005 110.507 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.52 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 58.4 Cg_endo -73.9 164.81 33.67 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.306 2.004 . . . . 75.409999999999997 111.632 175.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.94 -8.25 59.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.296 0.57 . . . . 71.430000000000007 111.037 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -95.88 23.28 6.46 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.089 -0.505 . . . . 74.450000000000003 111.829 -176.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 23' ' ' PRO . 77.1 mt -51.0 -47.07 61.63 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.395 0.517 . . . . 72.409999999999997 112.395 -176.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -83.59 -26.14 30.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.987 0.422 . . . . 71.319999999999993 111.015 -177.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -78.08 -34.48 50.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.62 -0.718 . . . . 72.109999999999999 111.271 -176.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 76.2 mtp -61.51 154.2 25.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.887 -0.597 . . . . 75.150000000000006 110.72 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.512 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 9.4 mptt -80.78 167.68 19.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.975 -0.557 . . . . 64.420000000000002 110.828 -175.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.477 HG22 ' HD3' ' A' ' 49' ' ' LYS . 59.4 t -53.9 -45.84 63.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.911 -0.586 . . . . 75.530000000000001 110.711 177.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.417 ' O ' ' HG2' ' A' ' 36' ' ' GLN . . . -62.64 -43.07 99.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.887 -0.597 . . . . 63.140000000000001 111.042 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.512 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 11.5 mm-40 -61.01 -38.87 87.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.316 -0.402 . . . . 72.439999999999998 111.129 -178.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.0 mt -70.8 -36.47 73.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.097 -0.501 . . . . 72.5 110.719 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -72.84 -25.28 61.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.361 -0.381 . . . . 73.040000000000006 110.71 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 15.0 mm100 -63.03 -38.78 92.57 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.771 -0.455 . . . . 71.409999999999997 109.771 172.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 41' ' ' ARG . 10.0 mm-40 -64.56 -48.38 75.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.795 -0.639 . . . . 54.009999999999998 110.329 175.058 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.427 HD11 HD21 ' A' ' 52' ' ' LEU . 96.0 mt -56.67 -50.3 72.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.94 -0.573 . . . . 71.340000000000003 111.515 -177.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -64.22 -26.04 68.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.462 -0.336 . . . . 62.439999999999998 111.402 -176.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.5 mt -86.83 -26.78 23.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.801 0.334 . . . . 74.129999999999995 111.321 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 41' ' ' ARG . 48.9 mtt180 -98.94 15.08 26.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.354 -0.384 . . . . 70.540000000000006 111.239 -175.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.5 m 65.5 31.36 10.2 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.317 0.579 . . . . 60.039999999999999 111.231 177.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.7 mt -105.94 149.48 38.1 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.614 -0.721 . . . . 64.109999999999999 110.528 -178.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -64.9 131.72 29.95 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.41 2.073 . . . . 61.350000000000001 111.767 176.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.1 m -89.24 4.5 5.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.885 0.374 . . . . 64.5 111.551 -177.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.4 m -81.57 120.66 25.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.218 -0.446 . . . . 70.439999999999998 110.247 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 156.33 164.64 13.6 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.488 -0.863 . . . . 52.509999999999998 112.597 178.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.708 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 25.7 p -91.34 173.71 7.77 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 122.257 0.223 . . . . 71.519999999999996 111.103 178.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.477 ' HD3' HG22 ' A' ' 31' ' ' VAL . 29.0 tptp -51.78 -46.29 64.1 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.04 0.536 . . . . 74.340000000000003 111.898 -174.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.2 m -65.7 -42.01 91.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.134 -0.485 . . . . 73.239999999999995 111.334 -178.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.51 -35.58 79.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 72.230000000000004 111.146 -175.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.708 ' HG ' ' O ' ' A' ' 48' ' ' THR . 55.7 mt -59.78 -42.63 93.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.001 -0.545 . . . . 75.439999999999998 110.359 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.3 mt -67.14 -45.37 86.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.887 -0.597 . . . . 74.230000000000004 110.898 -178.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.48 -38.09 89.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 74.439999999999998 110.62 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -63.96 -41.68 97.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.907 -0.588 . . . . 74.510000000000005 110.849 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 92.3 mt -64.25 -41.27 97.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.382 -0.372 . . . . 73.439999999999998 110.538 177.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -61.6 -52.7 63.32 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.918 -0.583 . . . . 73.120000000000005 110.932 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.86 -26.26 68.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.099 0.476 . . . . 75.219999999999999 111.443 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.403 ' CE2' ' HB3' ' A' ' 41' ' ' ARG . 73.7 t80 -71.23 -52.63 17.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.713 -0.676 . . . . 75.239999999999995 110.671 178.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -40.41 96.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.389 0.614 . . . . 75.340000000000003 109.391 179.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -54.65 -47.49 73.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.156 -0.929 . . . . 74.439999999999998 111.994 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.622 0.249 . . . . 73.120000000000005 110.914 -176.565 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.463 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 80.8 mt . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.311 -0.255 . . . . 75.25 110.311 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -63.04 131.81 34.19 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.167 1.911 . . . . 75.040000000000006 110.808 171.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.42 9.23 1.8 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.899 0.38 . . . . 71.129999999999995 112.005 -176.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.427 ' HB3' ' HB2' ' A' ' 28' ' ' ASP . 17.6 m120 -125.48 46.41 2.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.455 -0.339 . . . . 72.099999999999994 110.876 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.91 -31.32 72.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.165 0.507 . . . . 73.329999999999998 109.885 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -66.43 -30.36 70.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.598 -0.728 . . . . 75.439999999999998 110.928 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.427 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 4.0 m-20 -79.39 -17.59 54.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.854 -0.612 . . . . 72.329999999999998 111.079 -179.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 86.6 mtp -83.73 160.13 21.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.074 -0.512 . . . . 75.239999999999995 110.788 -176.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.491 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 43.1 mttp -78.1 174.57 11.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.003 0.43 . . . . 72.530000000000001 110.316 178.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.492 HG13 ' HE3' ' A' ' 35' ' ' LYS . 61.3 t -65.88 -45.22 91.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.923 -0.581 . . . . 75.409999999999997 109.772 174.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.92 -36.92 84.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.918 -0.583 . . . . 74.200000000000003 111.114 178.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.491 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 81.0 mm-40 -60.24 -42.17 94.69 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.285 -0.416 . . . . 75.109999999999999 110.593 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.405 HD12 ' HB2' ' A' ' 52' ' ' LEU . 94.0 mt -67.14 -38.78 86.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.85 -0.614 . . . . 65.109999999999999 110.238 179.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.52 ' HA ' HD13 ' A' ' 38' ' ' LEU . 99.5 mttt -62.75 -35.6 80.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 73.0 110.698 177.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -63.36 -41.33 98.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.332 -0.394 . . . . 71.040000000000006 110.483 175.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -65.75 -32.46 74.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.068 -0.515 . . . . 71.209999999999994 110.944 176.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.52 HD13 ' HA ' ' A' ' 35' ' ' LYS . 72.8 mt -73.44 -52.11 14.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.952 -0.567 . . . . 72.450000000000003 111.502 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -63.13 -24.84 68.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.453 -0.34 . . . . 72.510000000000005 111.84 -174.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.4 mt -78.82 -14.75 59.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.758 0.313 . . . . 74.140000000000001 111.147 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 71.4 mtt85 -120.75 18.4 11.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.37 -0.377 . . . . 74.420000000000002 111.035 -177.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.1 t 65.79 26.07 11.29 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.787 -0.642 . . . . 73.120000000000005 111.432 176.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.431 ' HB3' HD22 ' A' ' 38' ' ' LEU . 40.5 mt -96.71 143.62 26.44 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 116.091 -0.504 . . . . 74.439999999999998 110.545 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.6 122.84 11.89 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.895 2.397 . . . . 71.109999999999999 112.272 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.0 m -85.72 21.51 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.78 -0.646 . . . . 70.450000000000003 111.833 -175.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.6 t -112.55 132.97 54.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.897 0.379 . . . . 72.319999999999993 110.184 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.08 178.18 23.89 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.853 -0.612 . . . . 73.239999999999995 111.628 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.642 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 33.7 p -87.27 171.93 10.26 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.423 0.154 . . . . 73.099999999999994 110.673 178.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.525 ' HE2' HD12 ' A' ' 53' ' ' ILE . 24.0 tptm -49.65 -48.42 49.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 73.099999999999994 110.657 175.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 p -64.89 -43.98 91.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.841 -0.618 . . . . 73.049999999999997 111.473 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -58.24 -47.64 82.9 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.807 0.299 . . . . 73.540000000000006 111.807 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.642 ' HG ' ' O ' ' A' ' 48' ' ' THR . 36.1 mt -62.62 -42.72 99.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.604 -0.271 . . . . 74.239999999999995 110.769 -176.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.525 HD12 ' HE2' ' A' ' 49' ' ' LYS . 77.0 mt -62.3 -50.83 78.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 116.305 -0.407 . . . . 74.5 110.811 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.411 ' OE1' ' HA ' ' A' ' 54' ' ' GLU . 7.3 mm-40 -66.51 -35.27 79.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.942 -0.572 . . . . 73.129999999999995 111.296 -177.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.8 ttm-85 -66.89 -39.68 87.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.927 0.394 . . . . 72.450000000000003 110.429 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.1 mt -64.65 -50.86 65.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.966 -0.561 . . . . 62.229999999999997 110.217 173.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.458 ' HD3' HG23 ' A' ' 53' ' ' ILE . 4.5 mtp85 -59.65 -44.51 93.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.744 -0.662 . . . . 73.209999999999994 111.848 -177.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.62 -33.88 76.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.848 0.356 . . . . 64.230000000000004 111.292 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -70.99 -43.22 68.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.378 -0.374 . . . . 74.219999999999999 110.238 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.463 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 17.2 tm0? -70.73 -31.76 68.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.034 0.445 . . . . 75.150000000000006 110.042 -179.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -60.68 -46.63 89.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.864 -0.607 . . . . 73.230000000000004 111.509 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 120.831 0.348 . . . . 61.420000000000002 111.302 -177.371 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.424 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 73.3 mt . . . . . 0 C--O 1.235 0.335 0 CA-C-O 120.478 0.18 . . . . 73.140000000000001 110.601 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.65 157.04 56.64 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.372 2.048 . . . . 64.439999999999998 111.351 172.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.68 14.54 4.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.106 0.479 . . . . 61.409999999999997 111.332 -177.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.41 ' O ' ' HG3' ' A' ' 29' ' ' MET . 17.2 m120 -117.51 42.08 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.192 -0.458 . . . . 74.530000000000001 110.864 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.3 mt -65.8 -29.4 69.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.045 -0.525 . . . . 70.140000000000001 111.297 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -79.69 -23.46 42.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 75.040000000000006 110.845 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -80.49 -20.99 42.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 75.230000000000004 110.794 177.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.41 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 86.7 mtp -72.32 152.26 42.21 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.088 -0.506 . . . . 64.219999999999999 110.082 178.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.542 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 8.7 mptt -82.41 163.28 21.76 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.888 -0.412 . . . . 71.340000000000003 109.888 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.51 HG22 ' HB2' ' A' ' 49' ' ' LYS . 81.1 t -55.19 -45.52 77.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.845 0.355 . . . . 74.450000000000003 111.062 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.7 -36.85 85.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 72.409999999999997 111.227 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.542 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 6.2 mm-40 -66.88 -38.12 85.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.902 0.382 . . . . 72.329999999999998 110.373 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.9 mt -63.55 -40.95 98.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.009 -0.542 . . . . 74.319999999999993 110.306 177.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.426 ' HA ' HD12 ' A' ' 38' ' ' LEU . 99.0 mttt -63.31 -31.34 72.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.978 -0.555 . . . . 74.349999999999994 110.681 177.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -64.31 -45.16 89.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.397 -0.365 . . . . 71.230000000000004 110.418 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.566 ' CD ' HH12 ' A' ' 41' ' ' ARG . 4.9 mm-40 -65.29 -31.02 71.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.449 -0.341 . . . . 73.510000000000005 111.003 178.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 35' ' ' LYS . 89.6 mt -70.6 -56.15 7.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.136 -0.484 . . . . 73.420000000000002 111.056 176.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -60.7 -26.91 67.48 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.398 -0.365 . . . . 73.209999999999994 111.788 -174.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 97.2 mt -83.52 -16.87 43.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.834 0.35 . . . . 74.040000000000006 111.616 -178.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.566 HH12 ' CD ' ' A' ' 37' ' ' GLU . 77.5 mtt85 -110.53 20.69 17.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.677 -0.238 . . . . 72.099999999999994 111.039 -179.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.2 m 65.29 28.35 11.92 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.995 -0.548 . . . . 63.549999999999997 111.544 178.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.439 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 46.1 mt -102.31 141.36 22.37 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.924 -0.58 . . . . 74.420000000000002 110.597 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 43' ' ' LEU . 25.6 Cg_exo -63.98 138.64 63.6 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.882 2.388 . . . . 74.109999999999999 111.709 175.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.8 m -98.18 17.25 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.04 -0.527 . . . . 72.019999999999996 111.343 -176.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.2 p -89.39 121.93 32.11 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.237 -0.438 . . . . 73.409999999999997 111.314 -177.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 142.05 172.85 13.76 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.83 -0.7 . . . . 63.420000000000002 112.685 177.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.673 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 21.7 p -80.21 176.81 9.43 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.39 -0.226 . . . . 74.030000000000001 110.39 176.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.51 ' HB2' HG22 ' A' ' 31' ' ' VAL . 80.8 tttt -54.61 -51.69 64.56 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.465 0.174 . . . . 74.299999999999997 111.466 -176.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.0 m -59.15 -39.45 82.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 74.299999999999997 110.829 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -62.98 -40.34 97.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.01 -0.541 . . . . 74.140000000000001 110.932 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.673 ' HG ' ' O ' ' A' ' 48' ' ' THR . 44.7 mt -65.02 -45.67 84.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.039 -0.528 . . . . 64.25 110.052 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.476 ' O ' ' HD3' ' A' ' 57' ' ' ARG . 69.7 mt -60.59 -47.55 92.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.847 -0.615 . . . . 74.230000000000004 110.65 178.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -61.01 -40.04 92.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 71.349999999999994 111.487 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.423 ' HD3' ' HD2' ' A' ' 44' ' ' PRO . 36.5 ttm-85 -67.37 -37.87 83.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.864 0.364 . . . . 75.200000000000003 110.252 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.424 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . 66.1 mt -61.34 -46.79 88.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.005 -0.543 . . . . 75.129999999999995 110.493 174.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.476 ' HD3' ' O ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -63.23 -37.76 88.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.414 . . . . 74.319999999999993 111.464 179.23 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.27 -33.69 76.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.071 0.462 . . . . 72.239999999999995 110.778 177.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.504 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 75.2 t80 -78.66 -46.08 19.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.123 -0.49 . . . . 73.299999999999997 110.572 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -65.04 -33.06 75.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.292 -0.413 . . . . 73.340000000000003 111.672 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -64.88 -42.82 94.51 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.67 0.271 . . . . 74.409999999999997 111.182 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 59' ' ' TYR . 11.4 pt20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.332 -0.394 . . . . 71.129999999999995 110.868 -177.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.565 HD11 ' HB3' ' A' ' 56' ' ' LEU . 89.8 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.885 -0.413 . . . . 74.25 109.885 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -74.72 157.22 44.11 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.271 1.98 . . . . 71.209999999999994 111.292 173.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.32 -14.96 61.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.67 0.747 . . . . 64.310000000000002 110.169 177.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.892 ' HB3' ' HB3' ' A' ' 28' ' ' ASP . 4.2 m-20 -93.44 41.34 1.08 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.352 -0.84 . . . . 74.340000000000003 111.646 -175.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.3 mt -63.56 -35.21 79.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 74.400000000000006 111.013 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -81.66 -21.14 38.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.228 0.537 . . . . 71.099999999999994 110.386 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.892 ' HB3' ' HB3' ' A' ' 25' ' ' ASN . 35.2 t70 -76.73 -24.54 53.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.65 -0.705 . . . . 73.549999999999997 109.433 177.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 85.8 mtp -79.24 153.86 29.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.515 -0.766 . . . . 74.430000000000007 109.835 173.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.453 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 44.9 mttp -86.55 176.69 7.69 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.883 0.373 . . . . 73.329999999999998 110.684 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.429 HG13 HD12 ' A' ' 52' ' ' LEU . 69.1 t -62.5 -36.09 73.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.768 -0.651 . . . . 75.25 110.453 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.99 -59.11 4.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.865 -0.607 . . . . 61.43 111.855 -177.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.401 ' OE1' ' HB2' ' A' ' 30' ' ' LYS . 1.0 OUTLIER -61.71 -29.31 70.02 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 112.002 0.371 . . . . 61.350000000000001 112.002 -179.257 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 65.3 mt -64.8 -41.02 96.14 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.77 -0.372 . . . . 75.299999999999997 110.328 175.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.496 ' HA ' HD12 ' A' ' 38' ' ' LEU . 98.4 mttt -70.31 -28.95 65.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 73.019999999999996 110.852 177.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -60.15 -44.46 94.95 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.494 -0.321 . . . . 74.019999999999996 110.401 177.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -60.33 -48.84 80.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.027 0.441 . . . . 74.209999999999994 110.409 174.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.537 ' HA ' ' HB2' ' A' ' 43' ' ' LEU . 76.1 mt -57.51 -51.77 68.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.84 -0.618 . . . . 74.239999999999995 111.746 -177.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.466 ' HB3' HG12 ' A' ' 45' ' ' VAL . 18.0 ptmt -70.97 -19.26 62.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.796 0.331 . . . . 72.239999999999995 111.768 -173.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.9 mt -87.01 -32.28 20.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.824 0.345 . . . . 70.209999999999994 111.187 176.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -103.87 24.92 10.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.319 -0.4 . . . . 71.319999999999993 111.573 -172.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.1 t 63.62 39.0 9.14 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.562 0.696 . . . . 61.340000000000003 111.174 173.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.537 ' HB2' ' HA ' ' A' ' 38' ' ' LEU . 40.9 mt -116.51 146.22 37.01 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.814 -0.63 . . . . 74.120000000000005 110.605 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.538 ' HD2' ' HD3' ' A' ' 55' ' ' ARG . 30.7 Cg_exo -62.62 120.86 8.57 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.704 2.269 . . . . 74.319999999999993 111.984 175.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.517 HG11 ' HB2' ' A' ' 38' ' ' LEU . 33.4 m -83.66 -13.7 11.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.309 -0.405 . . . . 75.510000000000005 111.446 -178.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.6 p -71.68 130.56 41.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.21 -0.45 . . . . 64.140000000000001 110.768 -178.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 142.5 167.36 11.38 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.984 -0.627 . . . . 73.120000000000005 112.027 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.674 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 12.7 p -87.38 -178.12 6.09 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 122.175 0.19 . . . . 64.299999999999997 110.989 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.513 ' HE2' HD13 ' A' ' 53' ' ' ILE . 24.3 tptm -53.63 -47.38 70.33 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.508 -0.315 . . . . 73.129999999999995 110.968 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.4 m -60.91 -44.55 97.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.062 -0.517 . . . . 75.099999999999994 110.864 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -59.51 -47.91 83.68 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.076 -0.511 . . . . 73.239999999999995 110.971 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 48' ' ' THR . 49.7 mt -58.4 -47.32 84.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.876 -0.602 . . . . 70.329999999999998 110.712 -177.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.513 HD13 ' HE2' ' A' ' 49' ' ' LYS . 81.7 mt -60.3 -51.56 71.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.978 -0.555 . . . . 71.239999999999995 111.104 -179.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -65.38 -40.4 93.48 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.76 0.281 . . . . 74.340000000000003 111.76 -177.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.538 ' HD3' ' HD2' ' A' ' 44' ' ' PRO . 36.0 ttm180 -62.69 -40.74 98.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.852 0.358 . . . . 74.200000000000003 110.554 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.565 ' HB3' HD11 ' A' ' 22' ' ' LEU . 65.2 mt -64.52 -45.24 88.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.106 -0.497 . . . . 73.519999999999996 110.702 175.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -58.18 -44.34 87.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 73.200000000000003 111.275 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.89 -37.56 81.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.357 -0.383 . . . . 62.149999999999999 110.972 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.403 ' CD2' HD11 ' A' ' 43' ' ' LEU . 48.3 t80 -67.95 -50.42 56.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 74.150000000000006 111.588 -179.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.5 -29.1 68.44 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.046 -0.262 . . . . 74.420000000000002 110.931 -176.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -55.14 -41.15 71.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.997 0.427 . . . . 71.230000000000004 110.881 178.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 115.676 -0.693 . . . . 64.310000000000002 110.665 -179.126 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.3 mt . . . . . 0 C--O 1.234 0.239 0 CA-C-O 120.707 0.289 . . . . 75.019999999999996 111.167 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.46 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 60.7 Cg_endo -75.88 151.3 35.52 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.568 2.178 . . . . 64.349999999999994 111.304 172.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.55 18.72 1.43 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.094 0.473 . . . . 70.329999999999998 111.146 -178.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.429 ' HB3' ' HB2' ' A' ' 28' ' ' ASP . 20.7 m120 -123.07 33.6 5.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.214 -0.448 . . . . 72.239999999999995 110.339 178.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 23' ' ' PRO . 90.9 mt -61.47 -28.93 69.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 60.049999999999997 111.279 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -81.69 -24.71 36.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.982 0.42 . . . . 65.400000000000006 110.38 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.429 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 6.6 m-20 -69.48 -28.2 65.86 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.504 -0.554 . . . . 75.340000000000003 109.504 173.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 88.1 mtp -73.78 155.76 38.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.475 -0.784 . . . . 73.209999999999994 110.261 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.452 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 50.5 mttp -78.52 168.81 19.23 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.236 -0.438 . . . . 74.400000000000006 111.179 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.5 t -64.71 -43.27 96.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.015 -0.539 . . . . 72.319999999999993 110.36 177.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.73 -38.08 86.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.985 -0.552 . . . . 74.400000000000006 110.594 177.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.452 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 9.2 mm-40 -56.76 -50.2 72.97 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.763 -0.653 . . . . 63.520000000000003 110.741 176.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.97 -43.9 98.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.686 -0.688 . . . . 73.140000000000001 110.589 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.504 ' HE2' ' O ' ' A' ' 45' ' ' VAL . 93.3 mttt -61.43 -40.92 96.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.113 -0.494 . . . . 72.019999999999996 111.479 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -60.43 -46.81 88.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.724 0.297 . . . . 65.030000000000001 110.322 177.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -63.58 -33.51 75.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.185 -0.461 . . . . 73.340000000000003 111.255 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.402 ' HB2' HG12 ' A' ' 45' ' ' VAL . 71.2 mt -68.4 -58.19 4.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 73.549999999999997 111.063 177.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.448 ' HE2' HG13 ' A' ' 45' ' ' VAL . 18.3 ptpt -64.46 -26.09 68.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.496 -0.32 . . . . 75.519999999999996 111.697 -173.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.7 mt -80.85 -10.76 59.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.71 0.29 . . . . 74.219999999999999 111.176 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 75.0 mtt85 -115.23 18.34 16.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.32 -0.4 . . . . 72.409999999999997 110.825 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t 71.41 16.83 5.94 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.689 0.618 . . . . 71.200000000000003 111.549 176.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.9 mt -94.74 144.85 28.56 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.231 -0.44 . . . . 75.219999999999999 110.967 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.523 ' HG2' ' HD3' ' A' ' 55' ' ' ARG . 28.8 Cg_endo -64.59 140.07 66.92 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.404 2.07 . . . . 64.200000000000003 111.558 174.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.504 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 23.4 m -101.27 0.25 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 112.011 0.374 . . . . 72.040000000000006 112.011 -175.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.1 m -82.41 128.44 34.25 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.899 0.38 . . . . 61.049999999999997 111.134 -178.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.08 172.57 18.93 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.017 -0.611 . . . . 72.349999999999994 111.695 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.566 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 28.8 p -85.75 179.98 6.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 117.017 0.408 . . . . 74.049999999999997 111.065 178.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -53.15 -55.03 27.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 72.239999999999995 111.776 -176.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.0 m -65.36 -37.87 88.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.542 -0.299 . . . . 65.140000000000001 111.284 -177.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -63.98 -41.68 97.46 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.488 -0.324 . . . . 75.340000000000003 111.35 -178.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 48' ' ' THR . 73.1 mt -63.8 -41.67 97.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.96 0.409 . . . . 73.519999999999996 110.5 179.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.439 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 75.9 mt -61.37 -48.48 88.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.848 -0.614 . . . . 74.209999999999994 110.315 176.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.416 ' OE1' ' HD3' ' A' ' 57' ' ' ARG . 2.0 tp10 -62.07 -40.5 96.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.732 -0.667 . . . . 73.340000000000003 111.082 -177.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.523 ' HD3' ' HG2' ' A' ' 44' ' ' PRO . 37.8 ttm180 -62.68 -41.91 99.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.814 -0.63 . . . . 74.25 110.616 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.9 mt -61.79 -44.16 97.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.073 -0.512 . . . . 71.409999999999997 110.337 174.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 84.0 mtp180 -60.21 -45.1 94.34 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.968 -0.56 . . . . 74.030000000000001 111.146 -179.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.84 -47.14 86.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.835 0.35 . . . . 50.119999999999997 110.775 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -61.39 -43.77 98.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.854 -0.612 . . . . 73.439999999999998 111.018 -179.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -71.48 -41.85 68.82 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.978 -0.556 . . . . 61.420000000000002 111.323 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -65.48 -39.9 92.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.267 -0.424 . . . . 54.409999999999997 111.758 -174.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 . . . . . 0 C--N 1.329 -0.31 0 N-CA-C 111.743 0.275 . . . . 71.409999999999997 111.743 -175.645 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.6 mt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.848 -0.427 . . . . 74.439999999999998 109.848 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.87 164.5 16.28 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.473 2.116 . . . . 71.230000000000004 111.889 174.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.23 4.64 53.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.217 0.532 . . . . 72.530000000000001 110.551 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -120.61 42.38 3.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.813 -0.63 . . . . 71.129999999999995 110.993 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.8 mt -67.43 -29.15 68.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.4 0.619 . . . . 72.409999999999997 109.422 176.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.47 -29.69 70.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.154 -0.93 . . . . 72.430000000000007 110.445 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -77.38 -26.92 52.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.619 -0.719 . . . . 63.420000000000002 110.909 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 88.2 mtp -74.46 160.26 31.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.886 -0.597 . . . . 74.310000000000002 110.963 -176.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.529 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 37.7 mttp -95.38 177.18 5.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.097 -0.501 . . . . 75.310000000000002 110.576 -178.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.426 HG12 HD13 ' A' ' 52' ' ' LEU . 84.5 t -63.05 -46.0 97.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.858 -0.61 . . . . 63.439999999999998 110.517 177.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.17 -37.88 86.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.875 -0.602 . . . . 73.010000000000005 111.194 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.529 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 5.0 mm-40 -66.61 -44.9 80.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 64.400000000000006 109.976 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 96.9 mt -66.17 -29.65 69.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.767 -0.652 . . . . 64.439999999999998 111.243 -177.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.541 ' HG2' ' HB ' ' A' ' 45' ' ' VAL . 93.0 mttt -58.91 -33.53 70.65 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.527 -0.306 . . . . 75.120000000000005 111.507 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -66.91 -42.77 84.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.649 -0.25 . . . . 72.430000000000007 110.938 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -67.56 -32.05 72.55 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.032 0.444 . . . . 74.340000000000003 110.61 178.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.488 HD11 ' HA ' ' A' ' 45' ' ' VAL . 78.9 mt -71.51 -52.79 16.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.941 -0.572 . . . . 74.040000000000006 111.094 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -60.76 -32.34 71.65 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.656 0.265 . . . . 72.219999999999999 111.706 -175.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.3 mt -76.07 -12.96 60.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.859 0.361 . . . . 73.510000000000005 111.378 -178.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 54.3 mtt-85 -117.57 15.35 14.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.264 -0.425 . . . . 73.019999999999996 110.682 -178.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.1 t 65.34 26.16 12.07 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.608 -0.723 . . . . 74.25 110.882 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.0 mt -93.8 145.58 30.14 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.022 -0.535 . . . . 75.450000000000003 111.287 -178.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -64.44 128.86 22.32 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.826 2.351 . . . . 72.430000000000007 112.067 176.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.541 ' HB ' ' HG2' ' A' ' 35' ' ' LYS . 27.2 m -93.17 1.35 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.908 -0.587 . . . . 73.129999999999995 111.242 -176.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.5 p -96.71 136.35 37.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.958 -0.564 . . . . 54.350000000000001 110.986 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 138.63 177.84 15.71 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 116.003 -0.544 . . . . 74.540000000000006 111.965 178.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.554 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 51.7 p -73.34 160.63 31.53 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.543 0.171 . . . . 73.140000000000001 110.616 178.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.516 ' HE2' HD12 ' A' ' 53' ' ' ILE . 87.3 tttt -56.67 -38.83 72.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.778 0.323 . . . . 72.299999999999997 110.387 178.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.2 m -56.22 -48.84 75.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.873 -0.603 . . . . 61.299999999999997 110.328 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -58.58 -48.65 80.24 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 115.851 -0.613 . . . . 72.420000000000002 110.727 177.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 48' ' ' THR . 49.8 mt -56.72 -51.69 67.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.348 -0.387 . . . . 75.109999999999999 111.375 -176.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.516 HD12 ' HE2' ' A' ' 49' ' ' LYS . 71.1 mt -62.69 -51.1 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.016 0.436 . . . . 74.420000000000002 110.991 -178.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -66.64 -33.08 74.85 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.112 -0.495 . . . . 75.219999999999999 111.656 -176.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -67.57 -40.07 84.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.293 -0.412 . . . . 72.439999999999998 110.16 178.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.3 mt -64.0 -46.73 83.21 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.942 -0.572 . . . . 73.200000000000003 110.5 174.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -55.67 -55.61 30.19 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 115.923 -0.58 . . . . 74.310000000000002 110.546 178.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.62 -35.68 74.82 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.349 0.406 . . . . 63.219999999999999 111.674 -177.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -68.05 -46.23 71.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.482 -0.326 . . . . 71.230000000000004 110.908 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.1 tm0? -79.49 -29.35 41.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.424 -0.353 . . . . 74.329999999999998 110.809 -176.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -61.18 -46.64 89.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.119 -0.491 . . . . 74.409999999999997 111.116 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.095 -0.502 . . . . 75.140000000000001 112.028 -176.204 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.549 HD13 ' HB3' ' A' ' 56' ' ' LEU . 73.8 mt . . . . . 0 C--O 1.233 0.219 0 N-CA-C 109.809 -0.441 . . . . 73.409999999999997 109.809 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.461 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 30.3 Cg_endo -64.88 136.48 49.09 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.365 2.043 . . . . 74.209999999999994 111.464 174.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.56 -24.73 66.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.962 0.411 . . . . 75.120000000000005 111.69 -179.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.539 ' HB3' ' HB2' ' A' ' 28' ' ' ASP . 18.8 m120 -83.68 53.51 2.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.362 -0.381 . . . . 74.129999999999995 111.547 -177.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 23' ' ' PRO . 79.9 mt -74.14 -20.43 60.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.351 -0.386 . . . . 74.400000000000006 111.666 -178.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -88.77 -27.5 21.1 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.406 -0.518 . . . . 63.340000000000003 110.104 178.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.539 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 11.6 m-20 -69.72 -25.44 63.85 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.486 -0.561 . . . . 74.230000000000004 109.486 173.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 86.8 mmm -69.19 141.75 54.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.472 -0.785 . . . . 71.099999999999994 109.932 172.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.512 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 73.7 mttt -76.95 167.49 21.74 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.159 -0.473 . . . . 65.319999999999993 110.332 -177.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.6 t -62.8 -47.62 92.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.932 0.396 . . . . 74.310000000000002 110.545 -178.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.36 -35.7 81.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.899 -0.591 . . . . 62.450000000000003 111.079 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.512 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 5.0 mm-40 -69.13 -38.01 78.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.019 -0.537 . . . . 62.420000000000002 110.601 -178.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.61 -41.46 98.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.154 0.502 . . . . 75.030000000000001 110.069 175.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.55 ' HA ' HD11 ' A' ' 38' ' ' LEU . 99.4 mttt -68.6 -22.29 64.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.723 -0.672 . . . . 75.430000000000007 111.398 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -68.72 -40.03 80.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.836 0.351 . . . . 65.329999999999998 110.279 175.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -74.13 -36.54 64.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.293 -0.412 . . . . 64.099999999999994 110.096 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.55 HD11 ' HA ' ' A' ' 35' ' ' LYS . 91.5 mt -58.7 -54.26 49.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.799 -0.637 . . . . 71.340000000000003 111.202 178.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 12.5 ptpt -60.16 -33.91 72.84 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.746 0.308 . . . . 73.120000000000005 111.743 -176.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.9 mt -77.05 -24.52 51.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.593 -0.276 . . . . 70.439999999999998 111.392 -176.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -108.4 22.97 15.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.598 -0.274 . . . . 71.239999999999995 111.298 -176.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.9 m 64.28 33.27 11.68 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.026 -0.534 . . . . 72.530000000000001 111.716 175.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.42 ' HB3' HD23 ' A' ' 38' ' ' LEU . 46.1 mt -109.92 142.58 26.16 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.113 -0.494 . . . . 73.150000000000006 110.663 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.403 ' HD2' ' HD3' ' A' ' 55' ' ' ARG . 17.1 Cg_exo -68.02 152.49 76.66 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.004 2.469 . . . . 73.120000000000005 111.93 177.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.532 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 35.3 m -106.93 2.21 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.083 -0.508 . . . . 72.439999999999998 111.48 -175.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.8 t -83.64 146.09 28.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.32 -0.4 . . . . 74.030000000000001 110.699 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.1 175.42 14.38 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 116.057 -0.519 . . . . 60.240000000000002 111.807 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.56 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 26.9 p -81.27 167.92 19.03 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.169 -0.308 . . . . 71.420000000000002 110.169 176.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.471 ' O ' HG13 ' A' ' 53' ' ' ILE . 64.5 tttm -58.05 -43.86 87.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.749 0.309 . . . . 73.319999999999993 110.656 -178.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.7 m -58.41 -45.02 89.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 74.120000000000005 110.906 179.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -65.57 -40.14 92.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 74.400000000000006 111.1 -178.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 48' ' ' THR . 81.0 mt -60.09 -42.6 94.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.932 0.396 . . . . 71.549999999999997 110.05 177.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 49' ' ' LYS . 87.4 mt -61.71 -50.08 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.64 -0.709 . . . . 74.129999999999995 110.757 178.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.419 ' HA ' ' HD3' ' A' ' 57' ' ' ARG . 42.6 mt-10 -70.18 -30.33 67.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.337 -0.392 . . . . 65.230000000000004 111.478 -177.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.403 ' HD3' ' HD2' ' A' ' 44' ' ' PRO . 48.6 ttm-85 -61.6 -46.36 90.17 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.423 -0.584 . . . . 73.120000000000005 109.423 175.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.549 ' HB3' HD13 ' A' ' 22' ' ' LEU . 68.4 mt -58.49 -48.77 79.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.756 -0.656 . . . . 75.200000000000003 110.732 175.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.419 ' HD3' ' HA ' ' A' ' 54' ' ' GLU . 79.1 mtp180 -55.84 -51.8 66.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.724 -0.671 . . . . 74.319999999999993 111.293 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.93 -44.16 93.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.961 -0.563 . . . . 73.25 111.409 -177.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -65.72 -43.04 90.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.394 -0.366 . . . . 75.519999999999996 111.269 -177.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.529 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 23.4 tm0? -68.46 -37.87 80.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.832 0.349 . . . . 75.019999999999996 110.722 -178.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -68.16 -29.05 67.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.462 -0.336 . . . . 65.109999999999999 110.887 -175.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 . . . . . 0 C--O 1.233 0.231 0 CA-C-O 120.686 0.279 . . . . 73.439999999999998 111.209 178.674 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.551 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 67.8 mt . . . . . 0 C--O 1.234 0.237 0 N-CA-C 110.28 -0.267 . . . . 74.450000000000003 110.28 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -71.54 150.27 57.1 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.399 2.066 . . . . 75.239999999999995 110.91 168.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.72 13.85 9.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.878 0.37 . . . . 54.229999999999997 111.528 -175.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.404 ' HB3' ' HB3' ' A' ' 28' ' ' ASP . 14.9 m120 -124.19 42.37 3.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.289 -0.414 . . . . 74.540000000000006 110.528 -176.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.9 mt -58.63 -35.29 72.25 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.383 0.512 . . . . 75.109999999999999 112.383 -175.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -82.31 -18.94 40.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.002 0.429 . . . . 62.100000000000001 110.923 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.404 ' HB3' ' HB3' ' A' ' 25' ' ' ASN . 11.7 t70 -80.98 -14.42 57.97 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.688 0.756 . . . . 72.519999999999996 109.349 177.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.46 ' HE3' ' HB3' ' A' ' 33' ' ' GLU . 81.0 mtp -84.94 166.28 16.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.778 -1.101 . . . . 75.549999999999997 109.737 175.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.549 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 58.2 mttp -83.37 172.43 12.5 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.845 0.355 . . . . 75.120000000000005 110.557 -177.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.492 HG11 ' HE3' ' A' ' 35' ' ' LYS . 45.5 t -69.06 -38.47 78.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.075 0.464 . . . . 70.349999999999994 110.045 179.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.85 -36.8 85.12 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.755 -0.657 . . . . 73.239999999999995 110.523 177.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.549 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 56.5 mm-40 -60.25 -49.8 76.18 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.934 -0.575 . . . . 74.409999999999997 110.464 178.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.7 mt -59.95 -41.54 92.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.997 -0.547 . . . . 73.140000000000001 111.259 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.492 ' HE3' HG11 ' A' ' 31' ' ' VAL . 95.7 mttt -60.01 -41.0 91.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 72.519999999999996 110.683 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -64.03 -47.14 81.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 74.409999999999997 110.72 176.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.41 ' HA ' ' OE1' ' A' ' 37' ' ' GLU . 6.7 mm-40 -57.52 -36.05 71.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 73.120000000000005 110.962 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.447 ' CD1' HD21 ' A' ' 52' ' ' LEU . 81.6 mt -69.44 -58.67 3.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.052 -0.522 . . . . 74.329999999999998 111.469 178.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -66.76 -26.91 67.2 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.152 0.427 . . . . 74.409999999999997 112.152 -172.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.3 mt -71.72 -12.32 61.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.819 0.342 . . . . 71.099999999999994 110.702 177.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 80.1 mtt85 -122.56 22.91 9.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 74.510000000000005 110.848 -178.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.8 m 61.81 38.57 14.69 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.735 -0.666 . . . . 71.140000000000001 111.72 176.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.432 HD22 ' HB2' ' A' ' 59' ' ' TYR . 43.6 mt -111.78 145.63 33.08 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.168 -0.469 . . . . 74.540000000000006 110.993 178.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.3 142.2 49.31 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.785 2.323 . . . . 74.109999999999999 111.914 176.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.1 m -101.81 9.7 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.252 -0.431 . . . . 75.120000000000005 111.199 -176.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.0 m -81.7 108.26 15.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.194 -0.457 . . . . 73.439999999999998 110.944 -179.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 165.91 -172.53 41.34 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.831 -0.7 . . . . 55.119999999999997 112.453 178.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.667 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 27.9 p -97.49 -176.55 3.53 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.171 -0.307 . . . . 73.400000000000006 110.171 176.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.44 ' O ' HG13 ' A' ' 53' ' ' ILE . 23.5 tptm -54.6 -46.96 73.9 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.97 0.414 . . . . 72.120000000000005 110.335 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.8 m -70.29 -40.81 74.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.825 -0.625 . . . . 71.329999999999998 111.431 -177.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -59.61 -43.06 93.89 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.61 -0.268 . . . . 75.329999999999998 111.091 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' A' ' 48' ' ' THR . 52.1 mt -65.4 -41.68 93.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 63.329999999999998 110.866 -177.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 49' ' ' LYS . 89.1 mt -60.17 -53.51 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.062 -0.517 . . . . 73.409999999999997 110.764 179.08 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.457 ' OE1' ' HD3' ' A' ' 57' ' ' ARG . 6.8 mm-40 -68.36 -28.42 67.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.752 -0.658 . . . . 71.040000000000006 111.335 -176.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.407 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -61.55 -43.94 97.95 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.122 0.487 . . . . 70.540000000000006 109.968 177.667 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.446 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . 65.6 mt -61.73 -46.42 89.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.539 -0.755 . . . . 73.25 110.874 177.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.457 ' HD3' ' OE1' ' A' ' 54' ' ' GLU . 69.7 mtp180 -68.34 -31.75 71.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.706 -0.679 . . . . 74.439999999999998 111.213 -175.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.11 -40.8 74.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.847 0.356 . . . . 62.149999999999999 110.783 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.432 ' HB2' HD22 ' A' ' 43' ' ' LEU . 54.6 t80 -69.91 -51.06 36.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.066 -0.516 . . . . 73.019999999999996 111.021 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.551 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 10.7 mm100 -57.92 -34.55 69.98 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.374 0.509 . . . . 74.219999999999999 112.374 -176.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -68.18 -44.81 75.06 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.816 0.341 . . . . 73.349999999999994 111.279 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 . . . . . 0 C--N 1.327 -0.371 0 N-CA-C 111.956 0.354 . . . . 73.299999999999997 111.956 -174.2 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--O 1.233 0.198 0 N-CA-C 110.488 -0.19 . . . . 72.109999999999999 110.488 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.15 169.8 21.61 Favored 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 122.372 2.048 . . . . 64.200000000000003 111.332 172.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.21 -17.46 29.03 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.898 0.38 . . . . 75.230000000000004 111.096 -177.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.463 ' HB3' ' HB3' ' A' ' 28' ' ' ASP . 3.2 m-20 -90.93 33.46 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.132 -0.486 . . . . 73.329999999999998 111.645 -173.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.5 mt -59.03 -36.54 75.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.841 0.353 . . . . 70.239999999999995 111.766 -177.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -84.83 -15.93 43.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.809 0.338 . . . . 74.549999999999997 110.922 -177.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.463 ' HB3' ' HB3' ' A' ' 25' ' ' ASN . 13.5 t70 -84.14 -35.75 23.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.965 -0.561 . . . . 73.109999999999999 110.307 178.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.418 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 81.9 mtp -62.42 157.46 19.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.434 -0.803 . . . . 75.129999999999995 110.906 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.512 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 38.6 mttp -72.49 178.73 3.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.137 0.494 . . . . 72.329999999999998 110.757 179.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.0 t -70.17 -44.54 77.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.802 -0.635 . . . . 74.030000000000001 109.599 176.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.565 ' O ' ' HG2' ' A' ' 36' ' ' GLN . . . -64.07 -34.65 78.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.866 -0.606 . . . . 73.319999999999993 110.974 178.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.512 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 69.6 mm-40 -61.88 -41.66 98.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.867 0.365 . . . . 62.200000000000003 110.707 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.3 mt -67.35 -38.57 85.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 63.149999999999999 110.173 178.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.594 ' HE2' ' O ' ' A' ' 45' ' ' VAL . 97.8 mttt -63.06 -30.34 71.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.844 -0.616 . . . . 74.230000000000004 110.972 177.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 17.8 mm100 -60.89 -48.05 83.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.359 -0.382 . . . . 75.439999999999998 110.112 177.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -62.96 -43.5 98.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 65.450000000000003 110.548 178.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.519 HD13 ' HA ' ' A' ' 35' ' ' LYS . 89.3 mt -57.12 -57.07 14.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.658 -0.701 . . . . 73.150000000000006 111.476 -179.281 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -65.3 -32.87 74.75 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.622 0.23 . . . . 74.340000000000003 111.622 -174.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 36' ' ' GLN . 85.6 mt -71.93 -28.34 63.41 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.625 0.25 . . . . 74.099999999999994 111.156 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -103.84 14.27 31.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.604 -0.271 . . . . 72.040000000000006 110.82 -178.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.1 m 63.56 73.07 0.46 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.32 0.581 . . . . 70.340000000000003 111.429 179.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.448 HD12 HD21 ' A' ' 38' ' ' LEU . 22.5 mt -143.05 156.61 61.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.59 -0.732 . . . . 74.209999999999994 110.197 -178.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -66.57 128.8 19.81 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.575 2.183 . . . . 71.420000000000002 111.69 175.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.594 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 29.0 m -99.47 -7.22 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.439 -0.346 . . . . 62.439999999999998 111.316 -175.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.3 t -76.57 129.62 36.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.806 0.336 . . . . 73.120000000000005 110.261 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 150.95 -163.94 29.86 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.873 -0.679 . . . . 60.539999999999999 112.41 178.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.653 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 19.5 p -115.45 174.98 5.72 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 122.2 0.2 . . . . 73.129999999999995 110.519 179.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.52 ' HE2' HD13 ' A' ' 53' ' ' ILE . 24.1 tptm -48.66 -56.36 8.71 Favored 'General case' 0 C--N 1.331 -0.237 0 O-C-N 123.459 0.474 . . . . 72.239999999999995 111.242 178.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.9 m -62.73 -38.5 90.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.194 -0.457 . . . . 72.230000000000004 111.373 -177.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.55 -47.18 86.56 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.353 -0.385 . . . . 50.310000000000002 110.714 178.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' ' 48' ' ' THR . 34.2 mt -69.22 -38.35 78.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.958 -0.564 . . . . 74.439999999999998 111.31 -175.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.52 HD13 ' HE2' ' A' ' 49' ' ' LYS . 81.9 mt -57.76 -52.77 53.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.859 0.361 . . . . 75.439999999999998 110.735 179.002 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -63.63 -36.73 84.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.936 -0.574 . . . . 71.519999999999996 110.835 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 45.9 ttm-85 -65.51 -40.5 93.06 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.032 -0.531 . . . . 75.540000000000006 110.907 -178.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.44 -41.96 96.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.762 0.315 . . . . 54.140000000000001 110.658 176.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 83.5 mtp180 -59.96 -46.5 89.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.51 . . . . 72.230000000000004 110.636 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.87 -41.28 95.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 74.209999999999994 110.829 179.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.476 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 34.7 t80 -61.78 -51.59 67.69 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.835 -0.62 . . . . 74.430000000000007 111.528 -179.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -65.64 -30.74 71.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.999 0.428 . . . . 72.439999999999998 111.055 -176.608 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -71.54 -43.64 66.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.352 -0.386 . . . . 52.119999999999997 111.106 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' A' ' 59' ' ' TYR . 13.6 pt20 . . . . . 0 C--N 1.334 -0.107 0 CA-C-O 120.783 0.325 . . . . 73.010000000000005 110.507 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.546 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 82.1 mt . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 109.904 -0.406 . . . . 73.109999999999999 109.904 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.472 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 37.8 Cg_endo -68.64 126.93 14.72 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.865 1.71 . . . . 73.099999999999994 110.608 173.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.59 -23.9 63.32 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.91 0.386 . . . . 62.310000000000002 111.618 -176.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.448 ' HB3' ' HB2' ' A' ' 28' ' ' ASP . 16.4 m120 -84.24 45.45 1.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.948 -0.569 . . . . 75.140000000000001 111.62 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.526 ' HB2' HG21 ' A' ' 53' ' ' ILE . 95.4 mt -64.21 -25.63 68.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.433 0.635 . . . . 70.349999999999994 110.192 176.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -75.71 -25.34 56.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.57 -0.741 . . . . 73.140000000000001 110.548 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.448 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 4.7 m-20 -83.96 -7.57 59.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.178 0.513 . . . . 74.140000000000001 110.303 177.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 86.6 mtp -92.01 172.66 8.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.708 -0.678 . . . . 73.409999999999997 110.159 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.539 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 15.0 mtpp -93.48 155.46 17.33 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.399 -0.364 . . . . 70.420000000000002 110.517 -177.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.8 t -58.12 -44.24 87.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 74.230000000000004 111.163 -178.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.38 -36.35 83.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.439 -0.346 . . . . 74.420000000000002 111.046 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.539 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 7.4 mm-40 -65.63 -39.99 92.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 61.020000000000003 110.497 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.8 mt -64.32 -43.27 95.19 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.716 -0.674 . . . . 72.310000000000002 109.86 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.544 ' HA ' HD12 ' A' ' 38' ' ' LEU . 92.0 mttt -66.01 -23.09 66.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.55 -0.75 . . . . 74.510000000000005 111.71 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.407 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 10.0 mm100 -60.37 -57.33 13.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.484 0.183 . . . . 73.430000000000007 110.537 176.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -66.28 -28.85 69.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.387 -0.369 . . . . 64.540000000000006 110.591 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 35' ' ' LYS . 75.7 mt -64.47 -59.42 4.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.025 -0.534 . . . . 74.310000000000002 110.945 175.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -63.23 -32.47 73.89 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.663 -0.244 . . . . 73.239999999999995 111.479 -174.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 36' ' ' GLN . 89.5 mt -66.16 -30.81 71.36 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.846 0.355 . . . . 75.299999999999997 110.872 178.418 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 81.9 mtt-85 -100.42 11.13 40.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.356 -0.384 . . . . 75.450000000000003 110.541 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.3 m 62.02 26.19 15.78 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.386 0.612 . . . . 74.230000000000004 111.321 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.454 HD12 HD22 ' A' ' 38' ' ' LEU . 30.2 mt -79.09 155.04 77.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.543 -0.753 . . . . 73.540000000000006 110.566 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -69.98 112.86 3.23 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.612 2.208 . . . . 73.030000000000001 112.213 178.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.1 m -85.25 -3.64 8.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.981 -0.554 . . . . 75.329999999999998 110.173 176.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.0 m -70.75 135.59 48.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.434 -0.803 . . . . 73.299999999999997 110.772 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.5 -170.58 15.25 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.647 -0.787 . . . . 63.310000000000002 111.941 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.522 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 65.2 p -94.23 169.39 10.27 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.617 0.246 . . . . 62.119999999999997 110.963 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.431 ' O ' HG13 ' A' ' 53' ' ' ILE . 87.2 tttt -54.81 -41.79 71.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.003 -0.544 . . . . 71.420000000000002 110.935 178.058 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.8 m -57.94 -40.92 81.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.089 0.471 . . . . 75.319999999999993 110.782 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.8 -46.21 72.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.949 -0.569 . . . . 54.509999999999998 111.015 178.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 48' ' ' THR . 58.5 mt -58.46 -42.01 86.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.0 -0.545 . . . . 62.409999999999997 111.106 -176.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.526 HG21 ' HB2' ' A' ' 26' ' ' LEU . 84.4 mt -61.01 -53.98 41.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.072 -0.513 . . . . 73.319999999999993 110.81 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -67.04 -34.06 76.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.95 -0.568 . . . . 75.239999999999995 111.308 -177.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -63.41 -46.87 84.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.863 0.363 . . . . 75.439999999999998 110.359 178.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.493 ' HB3' HD13 ' A' ' 22' ' ' LEU . 40.6 mt -59.65 -45.05 93.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.988 -0.551 . . . . 74.129999999999995 110.511 175.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -60.67 -51.17 70.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.99 -0.55 . . . . 72.519999999999996 111.586 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.25 -31.72 71.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.988 0.423 . . . . 74.319999999999993 111.452 -178.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -76.14 -46.39 28.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.158 -0.474 . . . . 75.549999999999997 110.741 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.546 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 1.1 tm0? -72.58 -34.99 67.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.741 -0.209 . . . . 72.109999999999999 111.248 -176.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -60.46 -39.12 86.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.359 -0.382 . . . . 64.140000000000001 111.148 -177.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.397 -0.365 . . . . 64.519999999999996 111.198 -178.747 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.565 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 71.9 mt . . . . . 0 C--O 1.235 0.339 0 CA-C-O 120.594 0.235 . . . . 74.340000000000003 110.983 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.619 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 41.8 Cg_endo -69.2 139.88 43.33 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.222 1.948 . . . . 73.329999999999998 110.895 171.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.69 4.45 4.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.915 0.388 . . . . 64.109999999999999 111.888 -176.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -105.8 16.9 24.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.46 -0.336 . . . . 74.519999999999996 111.005 -177.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 23' ' ' PRO . 86.3 mt -53.38 -45.2 69.16 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.373 -0.376 . . . . 71.439999999999998 111.776 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -64.85 -26.83 68.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 70.219999999999999 111.433 -177.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -86.53 -32.17 20.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.108 -0.496 . . . . 74.0 111.538 -176.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.474 ' HE1' HD23 ' A' ' 26' ' ' LEU . 55.3 mtm -67.35 161.21 25.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.25 0.547 . . . . 74.030000000000001 111.741 -175.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.538 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 0.3 OUTLIER -81.61 162.75 22.98 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.371 -0.831 . . . . 74.510000000000005 110.381 -178.112 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.2 t -55.3 -40.73 58.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 74.200000000000003 111.045 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.49 -35.73 81.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 62.119999999999997 111.398 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.538 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 2.3 mm-40 -68.15 -41.54 81.43 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.354 -0.61 . . . . 64.129999999999995 109.354 -179.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.81 -44.24 97.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.324 -0.853 . . . . 73.329999999999998 110.62 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.549 ' HE2' ' O ' ' A' ' 45' ' ' VAL . 95.5 mttt -63.88 -29.53 70.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.05 -0.523 . . . . 75.209999999999994 110.974 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.432 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 12.1 mm100 -63.75 -41.66 97.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.481 -0.327 . . . . 74.409999999999997 110.756 176.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.55 ' HB3' ' NH1' ' A' ' 41' ' ' ARG . 27.1 mt-10 -73.96 -41.27 62.23 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.946 -0.302 . . . . 74.439999999999998 111.032 178.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.517 HD13 ' HA ' ' A' ' 35' ' ' LYS . 58.5 mt -54.07 -54.04 44.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 73.439999999999998 111.299 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -60.78 -30.75 70.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.462 -0.335 . . . . 71.439999999999998 111.406 -177.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 36' ' ' GLN . 92.6 mt -78.46 -27.07 46.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.521 -0.308 . . . . 73.200000000000003 110.955 -179.119 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.553 HH11 HD22 ' A' ' 56' ' ' LEU . 63.8 mtt180 -99.05 16.87 21.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.398 -0.365 . . . . 74.409999999999997 111.075 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.8 t 65.67 30.7 10.24 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.268 0.556 . . . . 70.409999999999997 111.012 175.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.9 mt -108.85 148.13 37.22 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.779 -0.646 . . . . 63.43 111.013 -178.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -62.31 141.65 88.29 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.849 2.366 . . . . 73.200000000000003 111.544 174.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.549 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 34.3 m -103.19 -19.94 5.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.204 -0.453 . . . . 72.239999999999995 111.427 -174.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.4 m -78.44 107.06 10.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.201 0.524 . . . . 73.109999999999999 111.582 -177.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 177.24 -172.89 45.77 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 111.247 -0.741 . . . . 54.409999999999997 111.247 178.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.636 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 71.7 p -90.5 159.14 16.66 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.917 -0.401 . . . . 73.519999999999996 109.917 177.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -50.21 -46.54 54.65 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 123.415 0.447 . . . . 74.430000000000007 111.637 -177.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.3 m -61.55 -50.1 74.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.604 -0.271 . . . . 75.310000000000002 111.171 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -61.54 -38.46 87.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.61 -0.268 . . . . 73.219999999999999 111.256 -177.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 48' ' ' THR . 58.1 mt -61.15 -47.06 87.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.762 0.315 . . . . 53.119999999999997 110.539 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.459 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 84.9 mt -63.04 -49.04 85.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 72.420000000000002 110.691 178.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.25 -40.3 89.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.98 -0.555 . . . . 73.439999999999998 111.611 -179.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.8 ttt85 -66.31 -36.15 82.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.404 -0.362 . . . . 75.430000000000007 110.684 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.553 HD22 HH11 ' A' ' 41' ' ' ARG . 82.0 mt -61.52 -44.05 97.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.166 0.508 . . . . 74.219999999999999 110.373 175.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 68.6 mtp180 -66.13 -42.66 88.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.687 -0.688 . . . . 72.450000000000003 110.663 -178.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.55 -36.15 81.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 74.040000000000006 111.112 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -61.41 -54.69 40.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.047 -0.524 . . . . 73.439999999999998 110.624 178.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.565 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 10.1 mm100 -62.86 -35.77 81.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.296 -0.411 . . . . 71.420000000000002 111.901 -179.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -62.61 -43.49 98.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 63.219999999999999 111.775 -176.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.494 -0.321 . . . . 65.310000000000002 111.55 -176.07 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.5 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 97.3 mt . . . . . 0 CA--C 1.52 -0.177 0 N-CA-C 110.529 -0.174 . . . . 73.099999999999994 110.529 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.423 ' HG2' ' CD2' ' A' ' 26' ' ' LEU . 19.1 Cg_endo -62.22 141.16 87.0 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 121.996 1.797 . . . . 62.329999999999998 110.84 169.277 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.45 -35.71 80.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.259 -0.428 . . . . 74.310000000000002 111.552 -176.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -101.83 97.67 8.01 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.935 -0.575 . . . . 73.109999999999999 110.726 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.423 ' CD2' ' HG2' ' A' ' 23' ' ' PRO . 84.6 mt -97.09 -28.34 14.17 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.139 -0.482 . . . . 73.409999999999997 110.176 176.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -71.19 -19.64 62.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.843 -0.617 . . . . 62.210000000000001 110.587 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -86.8 -18.35 31.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.063 -0.517 . . . . 70.200000000000003 110.44 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.779 ' HE3' ' HB3' ' A' ' 33' ' ' GLU . 94.2 mmm -72.65 153.51 41.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.83 -0.623 . . . . 73.219999999999999 109.601 178.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.532 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 61.8 mttp -85.39 169.27 13.85 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 110.166 -0.309 . . . . 74.019999999999996 110.166 179.171 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.9 t -62.15 -42.16 94.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.156 0.503 . . . . 75.409999999999997 109.925 179.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' A' ' 36' ' ' GLN . . . -64.74 -37.89 89.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.69 -0.686 . . . . 73.430000000000007 110.628 177.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.779 ' HB3' ' HE3' ' A' ' 29' ' ' MET . 41.5 mm-40 -66.82 -38.54 86.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.043 -0.526 . . . . 70.010000000000005 110.806 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 79.2 mt -63.56 -42.96 98.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.999 -0.546 . . . . 72.329999999999998 109.838 176.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.518 ' HA ' HD12 ' A' ' 38' ' ' LEU . 97.3 mttt -67.15 -26.22 66.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.794 -0.639 . . . . 74.310000000000002 111.152 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 15.6 mm100 -60.61 -50.5 73.26 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.967 -0.382 . . . . 73.310000000000002 109.967 174.127 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -60.74 -44.08 97.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.234 -0.439 . . . . 70.400000000000006 110.461 176.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.546 HD11 ' HA ' ' A' ' 45' ' ' VAL . 91.1 mt -58.94 -49.02 79.42 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.157 -0.474 . . . . 73.319999999999993 111.731 -177.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -69.77 -25.65 63.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.813 0.34 . . . . 75.239999999999995 111.549 -176.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.3 mt -86.78 -36.32 18.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.949 0.404 . . . . 75.239999999999995 111.73 -178.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -98.83 12.61 35.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.39 -0.368 . . . . 71.25 111.163 -174.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.6 m 64.39 72.61 0.45 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.529 0.68 . . . . 62.100000000000001 111.266 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.435 ' HB3' HD23 ' A' ' 38' ' ' LEU . 16.4 mt -146.14 143.43 19.28 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.281 -0.872 . . . . 74.109999999999999 110.187 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.489 ' HD2' ' HD3' ' A' ' 55' ' ' ARG . 27.0 Cg_exo -63.26 137.0 58.58 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.662 2.241 . . . . 71.420000000000002 112.142 177.172 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.546 ' HA ' HD11 ' A' ' 38' ' ' LEU . 33.3 m -94.43 5.63 7.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.213 -0.449 . . . . 75.319999999999993 111.058 -177.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.7 t -81.16 132.39 35.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.044 -0.525 . . . . 72.510000000000005 109.957 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 132.61 160.94 9.76 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 111.69 -0.564 . . . . 75.310000000000002 111.69 -178.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.486 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 32.1 p -78.14 170.35 16.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.561 0.181 . . . . 71.0 110.585 177.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.459 ' O ' HG13 ' A' ' 53' ' ' ILE . 87.6 tttt -48.35 -56.38 8.27 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.356 0.41 . . . . 65.450000000000003 112.001 -176.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.8 m -63.3 -33.59 75.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.589 0.233 . . . . 72.049999999999997 111.326 -177.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -69.34 -39.49 78.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.619 0.247 . . . . 63.210000000000001 110.56 178.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 48' ' ' THR . 83.3 mt -63.71 -42.73 97.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 74.420000000000002 109.898 176.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.528 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 76.9 mt -58.61 -49.13 83.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.86 -0.609 . . . . 72.319999999999993 110.533 175.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -63.4 -37.15 86.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.459 . . . . 72.239999999999995 111.388 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.489 ' HD3' ' HD2' ' A' ' 44' ' ' PRO . 45.6 ttm-85 -62.45 -40.97 98.33 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.839 -0.43 . . . . 75.319999999999993 109.839 178.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.446 ' O ' HD13 ' A' ' 22' ' ' LEU . 85.3 mt -64.32 -47.78 78.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.932 -0.576 . . . . 75.319999999999993 110.408 175.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.528 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 35.5 mtp180 -60.12 -43.1 95.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.929 -0.578 . . . . 72.219999999999999 110.999 -178.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.92 -36.59 83.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.955 0.407 . . . . 74.150000000000006 110.649 177.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -62.28 -39.73 93.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.776 -0.647 . . . . 74.0 110.647 179.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.5 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -81.43 -26.54 35.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.074 0.464 . . . . 73.049999999999997 110.141 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -60.29 -46.32 90.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.513 . . . . 74.5 110.733 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 72.450000000000003 111.302 179.909 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.541 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 94.5 mt . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.407 -0.219 . . . . 71.129999999999995 110.407 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -64.62 148.55 90.42 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.193 1.929 . . . . 74.239999999999995 110.927 174.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.21 -34.3 78.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.92 0.391 . . . . 75.439999999999998 111.096 -178.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.539 ' HB3' ' HB3' ' A' ' 28' ' ' ASP . 2.9 m-20 -85.75 79.18 9.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.168 -0.469 . . . . 72.349999999999994 110.341 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.3 mt -95.66 -45.44 7.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.093 -0.503 . . . . 74.349999999999994 110.289 177.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -73.11 -24.74 60.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.855 -0.611 . . . . 73.109999999999999 110.081 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.539 ' HB3' ' HB3' ' A' ' 25' ' ' ASN . 25.2 t70 -73.71 -23.06 59.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.429 -0.805 . . . . 73.319999999999993 111.003 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.503 ' HB3' ' HB2' ' A' ' 33' ' ' GLU . 48.3 mtm -83.6 146.04 28.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.741 0.305 . . . . 72.230000000000004 110.323 179.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.461 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 55.5 mttp -65.31 164.08 14.22 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.935 -0.575 . . . . 74.530000000000001 111.459 178.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.3 t -56.98 -38.48 60.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.619 -0.719 . . . . 74.310000000000002 109.978 175.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.31 -43.45 98.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.171 -0.922 . . . . 72.409999999999997 111.242 178.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.503 ' HB2' ' HB3' ' A' ' 29' ' ' MET . 8.2 mm-40 -66.29 -37.63 85.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.405 . . . . 72.530000000000001 110.744 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.89 -43.51 98.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.018 -0.537 . . . . 73.120000000000005 110.26 176.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.534 ' HA ' HD12 ' A' ' 38' ' ' LEU . 98.4 mttt -65.58 -26.43 67.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.908 -0.587 . . . . 74.310000000000002 111.504 -178.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -59.36 -48.76 80.4 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.953 0.406 . . . . 74.439999999999998 110.163 175.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -67.76 -44.97 76.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.946 -0.57 . . . . 72.530000000000001 111.012 178.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 35' ' ' LYS . 80.7 mt -54.7 -53.29 56.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 73.349999999999994 111.46 -178.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -66.04 -27.41 68.08 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.51 -0.313 . . . . 71.299999999999997 111.621 -174.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 71.5 mt -84.8 -32.05 23.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.984 0.421 . . . . 72.510000000000005 111.43 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -105.72 35.23 2.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.309 -0.405 . . . . 74.109999999999999 111.254 -172.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.9 m 63.16 27.88 15.78 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.907 -0.588 . . . . 73.099999999999994 112.553 170.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.542 HD22 ' HB2' ' A' ' 59' ' ' TYR . 44.6 mt -111.32 144.31 30.22 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-O 121.013 0.435 . . . . 74.409999999999997 111.905 -176.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.412 ' HG2' ' HD3' ' A' ' 55' ' ' ARG . 38.1 Cg_endo -68.54 132.69 25.97 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.584 2.19 . . . . 64.319999999999993 111.831 175.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.521 ' HA ' HD11 ' A' ' 38' ' ' LEU . 26.8 m -89.36 7.26 3.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.044 -0.525 . . . . 75.230000000000004 111.08 -177.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.5 p -88.81 122.3 32.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.05 -0.523 . . . . 62.039999999999999 110.789 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 152.1 170.91 19.26 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.618 -0.801 . . . . 44.0 112.181 178.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.511 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 73.3 p -81.1 177.19 9.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.529 0.204 . . . . 74.209999999999994 110.559 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -54.18 -46.02 72.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.353 -0.385 . . . . 74.310000000000002 110.585 178.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.6 m -66.74 -44.09 82.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 74.409999999999997 110.996 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -58.63 -46.85 86.18 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-N 116.161 -0.472 . . . . 75.450000000000003 111.952 -178.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 48' ' ' THR . 53.4 mt -63.27 -37.95 89.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.728 0.299 . . . . 73.0 111.229 -176.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 77.8 mt -66.28 -44.67 91.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.948 0.404 . . . . 71.010000000000005 110.582 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -67.78 -32.24 72.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.302 -0.408 . . . . 72.109999999999999 110.355 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.412 ' HD3' ' HG2' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -61.07 -45.79 93.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.865 -0.607 . . . . 74.409999999999997 109.687 177.384 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.8 mt -60.43 -46.27 90.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.668 -0.696 . . . . 74.209999999999994 110.469 176.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -61.59 -40.97 96.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.796 -0.638 . . . . 72.329999999999998 111.325 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.42 -33.8 76.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.381 -0.372 . . . . 70.219999999999999 111.029 178.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.542 ' HB2' HD22 ' A' ' 43' ' ' LEU . 68.8 t80 -72.47 -41.99 65.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.433 -0.349 . . . . 73.420000000000002 110.525 178.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.541 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 19.0 tm0? -65.24 -34.38 78.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.106 0.479 . . . . 73.140000000000001 109.874 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -60.14 -43.51 95.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.922 -0.581 . . . . 71.430000000000007 110.756 177.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.027 -0.533 . . . . 72.209999999999994 111.774 -177.298 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.757 HD12 HD11 ' A' ' 26' ' ' LEU . 95.4 mt . . . . . 0 C--O 1.234 0.287 0 CA-C-O 120.546 0.212 . . . . 74.319999999999993 110.901 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -69.58 -173.22 0.65 Allowed 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.531 2.154 . . . . 72.510000000000005 111.582 172.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.51 -49.07 9.61 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.889 0.376 . . . . 75.299999999999997 111.059 -176.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -104.51 89.61 3.27 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.096 0.474 . . . . 71.549999999999997 111.901 -176.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.757 HD11 HD12 ' A' ' 22' ' ' LEU . 95.9 mt -79.81 -21.95 43.64 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.447 0.642 . . . . 73.239999999999995 109.858 172.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.456 ' HA ' HD13 ' A' ' 53' ' ' ILE . 9.6 p-10 -80.21 -20.48 44.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.298 -0.865 . . . . 72.319999999999993 110.996 -176.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -80.65 -30.46 36.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.957 -0.565 . . . . 60.009999999999998 111.222 -175.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 66.0 mtm -70.2 163.46 26.35 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.032 0.444 . . . . 74.409999999999997 111.194 -177.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.543 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 65.2 mttt -73.11 168.14 19.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.782 -0.645 . . . . 73.239999999999995 110.256 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.408 ' O ' ' HG3' ' A' ' 35' ' ' LYS . 61.0 t -67.86 -35.18 71.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.119 0.485 . . . . 74.319999999999993 109.84 178.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.87 -36.81 85.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.704 -0.68 . . . . 72.219999999999999 110.915 178.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.543 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 15.8 mm-40 -66.49 -40.32 89.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.18 0.514 . . . . 72.519999999999996 109.961 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.53 -42.09 99.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.545 -0.752 . . . . 74.209999999999994 110.254 177.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.526 ' HA ' HD12 ' A' ' 38' ' ' LEU . 96.3 mttt -60.3 -34.46 73.81 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.027 -0.533 . . . . 75.430000000000007 111.162 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -62.14 -46.08 90.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.658 0.265 . . . . 71.230000000000004 110.719 178.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -65.58 -28.86 69.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.038 0.446 . . . . 72.219999999999999 110.942 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.533 ' HB2' HG12 ' A' ' 45' ' ' VAL . 49.2 mt -78.13 -50.94 11.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.809 -0.632 . . . . 75.420000000000002 111.239 -179.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -65.22 -25.64 67.78 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.453 -0.34 . . . . 65.329999999999998 111.517 -174.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 87.7 mt -79.98 -10.64 59.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.769 0.319 . . . . 75.549999999999997 111.138 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 58.2 mtt85 -125.34 17.65 8.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.57 -0.286 . . . . 74.310000000000002 111.327 -176.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.8 m 62.34 30.8 17.49 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.086 -0.506 . . . . 72.450000000000003 111.414 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.2 mt -96.63 149.56 35.96 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 116.107 -0.497 . . . . 75.150000000000006 110.756 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.518 ' HD2' ' HD3' ' A' ' 55' ' ' ARG . 25.7 Cg_exo -63.94 123.13 11.44 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.905 2.403 . . . . 71.200000000000003 112.182 175.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.533 HG12 ' HB2' ' A' ' 38' ' ' LEU . 33.1 m -94.25 -7.8 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 73.219999999999999 111.1 -178.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.1 t -87.71 157.45 19.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.998 -0.547 . . . . 74.420000000000002 110.056 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.96 -166.76 12.46 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.889 -0.672 . . . . 52.549999999999997 111.8 -178.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.465 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 36.3 p -83.91 166.62 17.7 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 110.389 -0.226 . . . . 74.230000000000004 110.389 178.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.424 ' O ' HG13 ' A' ' 53' ' ' ILE . 88.5 tttt -63.37 -38.2 90.24 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.775 -0.454 . . . . 73.310000000000002 109.775 177.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.6 m -56.63 -41.07 76.5 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.995 -0.548 . . . . 71.120000000000005 110.737 177.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -59.03 -53.66 55.92 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.982 -0.554 . . . . 73.120000000000005 110.807 176.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 48' ' ' THR . 23.2 mt -61.57 -46.63 89.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.795 -0.639 . . . . 74.230000000000004 111.476 -173.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 27' ' ' ASP . 92.4 mt -56.14 -54.41 27.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 115.946 -0.57 . . . . 73.230000000000004 111.581 -178.269 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -77.52 -24.73 49.94 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.24 -0.437 . . . . 74.219999999999999 111.611 -173.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.518 ' HD3' ' HD2' ' A' ' 44' ' ' PRO . 26.8 ttm180 -64.28 -38.21 90.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.141 0.496 . . . . 64.430000000000007 109.855 175.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.79 -44.68 92.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.721 -0.672 . . . . 64.129999999999995 110.095 174.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 51.7 mtp180 -58.99 -50.78 72.8 Favored 'General case' 0 CA--C 1.522 -0.121 0 CA-C-N 115.92 -0.582 . . . . 75.329999999999998 110.283 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.22 -36.44 79.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.937 -0.574 . . . . 73.099999999999994 111.71 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -69.07 -43.17 75.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.299 -0.41 . . . . 74.340000000000003 110.529 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.522 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -74.21 -30.9 62.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.113 0.482 . . . . 65.010000000000005 110.189 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.18 -31.91 69.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.51 -0.768 . . . . 74.329999999999998 111.057 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 115.887 -0.597 . . . . 75.140000000000001 111.094 -178.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.7 mt . . . . . 0 C--O 1.235 0.314 0 N-CA-C 110.315 -0.254 . . . . 74.409999999999997 110.315 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.433 ' HG2' HD23 ' A' ' 26' ' ' LEU . 17.8 Cg_endo -61.79 149.72 88.87 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.439 2.093 . . . . 73.329999999999998 111.342 174.242 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.47 -27.29 58.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.189 0.518 . . . . 54.140000000000001 110.534 -177.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.59 ' HB3' ' HB2' ' A' ' 28' ' ' ASP . 18.8 m120 -100.11 78.06 2.04 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.577 -0.738 . . . . 51.439999999999998 110.337 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.433 HD23 ' HG2' ' A' ' 23' ' ' PRO . 75.0 mt -84.79 -39.52 18.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.001 0.429 . . . . 75.519999999999996 110.76 -179.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -73.26 -20.71 60.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.289 0.566 . . . . 61.039999999999999 110.398 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.59 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 12.1 m-20 -77.83 -18.11 56.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.842 -0.617 . . . . 50.32 110.163 177.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.703 ' HE2' ' HB3' ' A' ' 33' ' ' GLU . 68.4 mmm -77.81 146.67 35.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.807 -0.633 . . . . 73.510000000000005 110.018 178.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.478 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 24.8 mtpp -78.24 166.57 22.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.464 -0.335 . . . . 72.329999999999998 110.408 179.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.9 t -61.58 -38.81 81.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.103 0.478 . . . . 74.430000000000007 110.409 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.16 -23.78 65.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.804 -0.635 . . . . 65.129999999999995 110.882 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.703 ' HB3' ' HE2' ' A' ' 29' ' ' MET . 9.6 mm-40 -78.95 -44.4 22.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.021 -0.536 . . . . 72.200000000000003 110.073 178.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.2 mt -59.43 -43.37 93.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.558 -0.746 . . . . 74.530000000000001 110.586 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.474 ' HA ' HD13 ' A' ' 38' ' ' LEU . 97.2 mttt -58.44 -34.1 70.45 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.995 -0.548 . . . . 72.329999999999998 111.528 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -60.4 -51.84 67.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.464 -0.334 . . . . 73.140000000000001 111.01 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -71.86 -28.13 63.33 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.775 -0.37 . . . . 72.019999999999996 111.338 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' A' ' 35' ' ' LYS . 78.2 mt -62.35 -56.56 17.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.608 0.242 . . . . 75.329999999999998 110.576 175.645 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.42 ' HE2' HG13 ' A' ' 45' ' ' VAL . 17.2 ptpt -64.87 -27.17 68.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.497 -0.319 . . . . 74.329999999999998 111.413 -175.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.8 mt -80.6 -17.61 50.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.575 0.226 . . . . 64.530000000000001 111.325 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 74.6 mtt-85 -112.74 23.08 13.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.551 0.215 . . . . 74.099999999999994 111.048 -178.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.8 t 69.08 20.72 7.6 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.951 -0.568 . . . . 64.420000000000002 111.559 175.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 36.3 mt -99.82 145.3 29.91 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.373 -0.376 . . . . 74.120000000000005 110.981 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -63.88 141.13 76.65 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.833 2.355 . . . . 74.120000000000005 111.689 174.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.42 HG13 ' HE2' ' A' ' 39' ' ' LYS . 32.5 m -99.12 -11.46 8.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.847 0.356 . . . . 75.519999999999996 111.638 -174.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.3 t -82.15 142.86 31.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.393 -0.367 . . . . 74.040000000000006 110.187 178.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 137.29 168.4 11.36 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.879 -0.676 . . . . 45.109999999999999 111.843 -179.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.591 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 23.5 p -73.99 162.18 29.31 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.573 0.187 . . . . 70.5 110.855 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.434 ' O ' HG13 ' A' ' 53' ' ' ILE . 75.5 tttt -54.28 -51.33 64.95 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.853 0.359 . . . . 75.319999999999993 111.098 -176.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.2 m -59.42 -40.75 87.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.913 -0.585 . . . . 75.219999999999999 110.895 -178.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -61.18 -45.04 96.22 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 115.933 -0.576 . . . . 73.519999999999996 110.775 178.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 48' ' ' THR . 55.0 mt -62.69 -42.44 99.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 74.040000000000006 110.653 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.487 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 81.9 mt -60.63 -51.94 67.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.174 -0.466 . . . . 73.340000000000003 110.887 178.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.471 ' HG2' ' NH2' ' A' ' 57' ' ' ARG . 33.4 mt-10 -67.31 -31.4 71.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.417 -0.356 . . . . 74.510000000000005 111.133 -178.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -59.85 -40.25 87.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.135 0.493 . . . . 74.0 109.877 177.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.4 mt -68.95 -44.57 72.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.634 -0.712 . . . . 74.510000000000005 110.506 175.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 25.9 mtm180 -66.31 -34.14 77.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.369 -0.378 . . . . 74.450000000000003 111.393 -176.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.24 -31.44 60.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.117 0.484 . . . . 74.450000000000003 110.505 177.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -68.89 -43.18 75.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.936 -0.575 . . . . 73.140000000000001 110.209 176.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.3 tm0? -73.74 -29.83 62.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.939 -0.573 . . . . 74.239999999999995 110.399 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -57.65 -44.3 85.55 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.248 -0.433 . . . . 74.030000000000001 111.304 178.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 75.549999999999997 111.131 -178.141 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.6 mt . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.827 0.346 . . . . 75.319999999999993 111.752 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -70.35 153.79 65.92 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.399 2.066 . . . . 71.129999999999995 110.444 169.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.31 1.77 43.39 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.85 0.357 . . . . 71.0 111.46 -176.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.516 ' O ' ' HG3' ' A' ' 29' ' ' MET . 0.9 OUTLIER -104.74 36.27 2.49 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.417 -0.356 . . . . 62.130000000000003 111.371 -178.388 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.5 mt -57.63 -40.63 79.67 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.943 0.349 . . . . 75.430000000000007 111.943 -176.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -82.24 -17.13 47.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.156 0.503 . . . . 72.109999999999999 110.421 -178.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.499 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 8.6 m-20 -84.48 -9.33 58.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.733 -0.667 . . . . 72.219999999999999 110.028 177.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' MET . . . . . 0.516 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 89.9 mtp -94.92 147.08 23.76 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.843 -0.617 . . . . 64.430000000000007 110.583 -179.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -82.74 174.55 10.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.892 -0.595 . . . . 63.0 110.946 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.506 HG23 ' HB2' ' A' ' 49' ' ' LYS . 36.5 t -61.47 -46.3 96.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.81 -0.632 . . . . 74.219999999999999 110.02 179.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.91 -40.67 96.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.739 -0.664 . . . . 72.230000000000004 110.963 178.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -63.57 -43.61 96.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 74.340000000000003 110.997 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.56 -39.0 91.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.38 -0.373 . . . . 73.430000000000007 111.213 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.552 ' HA ' HD12 ' A' ' 38' ' ' LEU . 98.2 mttt -60.34 -32.93 71.72 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.397 -0.365 . . . . 74.129999999999995 111.422 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -63.46 -49.3 74.19 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.883 -0.414 . . . . 75.340000000000003 109.883 176.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -63.93 -34.11 77.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.621 -0.718 . . . . 72.209999999999994 111.374 -179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 35' ' ' LYS . 59.5 mt -63.48 -61.1 2.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.002 -0.544 . . . . 72.530000000000001 111.388 179.29 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.404 ' HB2' ' HE3' ' A' ' 39' ' ' LYS . 14.9 ptmt -66.88 -26.44 66.88 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.128 0.418 . . . . 60.509999999999998 112.128 -172.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 69.2 mt -68.94 -22.74 64.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.003 0.43 . . . . 63.520000000000003 110.719 176.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -105.99 13.22 29.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.125 -0.489 . . . . 74.140000000000001 110.226 177.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.5 m 61.77 67.94 0.73 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.815 -0.629 . . . . 73.439999999999998 110.845 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 33.2 mt -136.63 145.61 51.99 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.789 -0.641 . . . . 71.430000000000007 110.37 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . 0.52 ' HD2' ' HD3' ' A' ' 55' ' ' ARG . 36.3 Cg_exo -60.47 142.19 97.37 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.607 2.205 . . . . 71.019999999999996 111.465 175.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.518 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 35.5 m -107.57 1.23 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.911 0.386 . . . . 73.150000000000006 111.626 -175.09 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.9 m -73.39 159.75 32.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.257 -0.429 . . . . 73.230000000000004 110.808 178.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.2 -174.24 20.38 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.807 -0.711 . . . . 74.209999999999994 112.392 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.636 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 7.3 p -96.58 -178.22 4.19 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 122.302 0.241 . . . . 62.420000000000002 110.543 178.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.506 ' HB2' HG23 ' A' ' 31' ' ' VAL . 82.8 tttt -53.03 -54.27 37.8 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.811 0.338 . . . . 71.319999999999993 111.465 -179.361 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.9 m -62.99 -36.04 82.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.232 -0.44 . . . . 75.439999999999998 111.348 -175.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -59.14 -41.97 89.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.968 0.413 . . . . 54.32 110.167 177.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 48' ' ' THR . 22.7 mt -67.67 -41.09 84.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.885 -0.598 . . . . 75.209999999999994 110.34 -179.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.551 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 74.2 mt -59.31 -51.56 71.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 116.093 -0.503 . . . . 74.329999999999998 110.585 178.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -64.09 -36.34 83.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 72.319999999999993 110.976 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.52 ' HD3' ' HD2' ' A' ' 44' ' ' PRO . 37.6 ttm180 -65.27 -41.53 94.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.892 -0.595 . . . . 70.430000000000007 110.621 178.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.63 -42.89 99.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 63.439999999999998 110.627 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 63.2 mtp180 -61.04 -41.08 95.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 73.0 110.608 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.76 -32.45 73.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.966 -0.561 . . . . 60.229999999999997 111.249 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -76.23 -40.52 51.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.519 -0.31 . . . . 75.099999999999994 110.752 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.7 tm0? -65.05 -39.53 93.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.964 0.412 . . . . 71.209999999999994 110.106 -178.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -59.42 -42.55 92.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.959 -0.564 . . . . 74.450000000000003 110.987 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.386 -0.37 . . . . 74.530000000000001 111.407 -176.896 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.5 tpp . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.897 0.379 . . . . 75.209999999999994 110.689 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -90.96 -66.08 1.18 Allowed Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.657 -0.782 . . . . 73.349999999999994 111.997 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -86.96 88.38 7.69 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.107 0.479 . . . . 74.239999999999995 110.741 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -106.04 156.76 18.09 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.011 -0.737 . . . . 65.030000000000001 109.011 173.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -74.34 92.95 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.405 0.622 . . . . 71.519999999999996 110.747 -175.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -131.13 105.99 8.06 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.212 -0.904 . . . . 53.32 109.348 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -63.99 138.27 58.38 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.219 -0.66 . . . . 73.409999999999997 109.219 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.605 ' HB3' ' HE3' ' A' ' 11' ' ' MET . 4.7 t-160 -59.43 105.0 0.31 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.14 -0.689 . . . . 71.099999999999994 109.14 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.2 m -57.73 -57.31 13.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.869 -0.605 . . . . 72.409999999999997 111.179 -173.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.0 t60 -82.31 92.09 6.9 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.94 -0.763 . . . . 70.209999999999994 108.94 174.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.605 ' HE3' ' HB3' ' A' ' 8' ' ' HIS . 44.7 ttm -120.82 108.84 14.43 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.372 0.606 . . . . 73.040000000000006 111.751 -175.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.1 p -114.53 16.71 17.61 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.875 -1.157 . . . . 75.140000000000001 107.875 168.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.44 HG21 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -88.92 144.58 33.12 Favored Pre-proline 0 N--CA 1.447 -0.582 0 CA-C-N 113.787 -1.551 . . . . 65.099999999999994 109.797 179.369 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.44 ' HD2' HG21 ' A' ' 13' ' ' THR . 37.4 Cg_exo -61.75 156.58 47.36 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 122.344 2.029 . . . . 61.100000000000001 111.65 174.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 tt -82.14 82.31 7.74 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.743 -0.836 . . . . 64.319999999999993 108.743 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.5 m -149.51 148.96 30.02 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.526 -0.761 . . . . 73.209999999999994 109.399 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -120.41 -51.14 0.27 Allowed Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.664 -0.779 . . . . 40.420000000000002 112.156 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -140.51 89.06 10.68 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-O 120.487 0.184 . . . . 73.310000000000002 110.895 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -91.46 177.4 1.91 Allowed 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 122.856 2.371 . . . . 74.209999999999994 112.051 175.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.83 23.34 17.32 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 111.467 -0.653 . . . . 63.210000000000001 111.467 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.12 -161.39 0.94 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.574 -0.528 . . . . 64.129999999999995 109.574 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.605 HD11 HD12 ' A' ' 26' ' ' LEU . 79.2 mt -133.78 148.9 70.28 Favored Pre-proline 0 C--N 1.323 -0.547 0 O-C-N 123.186 0.304 . . . . 73.530000000000001 110.316 178.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.435 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 42.9 Cg_endo -71.63 144.28 44.13 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 121.938 1.759 . . . . 72.239999999999995 110.546 169.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.62 12.65 1.95 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.869 0.366 . . . . 74.040000000000006 111.256 -175.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -122.01 28.57 7.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.181 -0.463 . . . . 74.25 110.483 -173.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.605 HD12 HD11 ' A' ' 22' ' ' LEU . 96.3 mt -56.91 -46.69 81.8 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.032 -0.531 . . . . 74.209999999999994 111.904 -176.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -69.6 -27.19 64.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.169 -0.469 . . . . 75.209999999999994 111.231 -176.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -79.8 -13.05 59.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.793 0.33 . . . . 73.420000000000002 111.321 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.461 ' HE1' HD23 ' A' ' 34' ' ' LEU . 60.2 mtm -87.09 170.21 11.72 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.698 -0.482 . . . . 72.129999999999995 109.698 174.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.503 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -101.43 175.97 5.4 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.469 -0.332 . . . . 65.209999999999994 110.977 -175.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.6 t -58.89 -47.38 89.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.732 -0.667 . . . . 75.319999999999993 111.785 -176.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.45 -32.4 71.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.762 0.315 . . . . 64.310000000000002 110.883 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.503 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 5.4 mm-40 -65.03 -45.13 86.71 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.68 -0.489 . . . . 73.200000000000003 109.68 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.461 HD23 ' HE1' ' A' ' 29' ' ' MET . 95.9 mt -64.6 -37.44 87.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.764 -0.653 . . . . 75.140000000000001 110.601 178.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.544 ' HA ' HD12 ' A' ' 38' ' ' LEU . 94.1 mttt -65.84 -25.37 67.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.033 -0.531 . . . . 75.340000000000003 111.145 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -59.76 -46.82 87.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.758 -0.201 . . . . 73.540000000000006 110.663 176.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -65.92 -45.94 80.07 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.748 -0.381 . . . . 71.310000000000002 110.513 176.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 35' ' ' LYS . 87.0 mt -54.2 -56.35 19.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.262 -0.426 . . . . 74.340000000000003 111.849 -177.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -65.84 -26.35 67.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.66 0.267 . . . . 74.329999999999998 111.523 -174.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.7 mt -87.05 -33.56 19.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.58 -0.282 . . . . 71.319999999999993 111.642 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -94.66 18.21 11.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.815 -0.175 . . . . 74.200000000000003 111.421 -176.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.0 m 65.68 52.34 1.33 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.323 0.582 . . . . 73.239999999999995 111.258 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.456 HD22 ' HG2' ' A' ' 55' ' ' ARG . 28.6 mt -128.88 133.16 24.89 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.947 -0.57 . . . . 72.129999999999995 110.89 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -65.91 128.97 20.87 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 122.554 2.169 . . . . 75.340000000000003 111.928 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.3 m -89.4 12.94 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.123 -0.49 . . . . 71.25 111.582 -176.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 m -78.48 114.3 17.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.189 -0.46 . . . . 72.420000000000002 111.12 -177.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 143.23 -163.94 27.35 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.47 -0.871 . . . . 64.129999999999995 112.898 176.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.647 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 32.4 p -98.83 171.04 8.33 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.222 -0.288 . . . . 73.129999999999995 110.222 178.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -55.33 -35.67 65.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.005 0.431 . . . . 71.230000000000004 110.196 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.7 m -57.09 -47.62 80.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.53 -0.759 . . . . 74.040000000000006 110.534 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -65.76 -41.88 91.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.934 -0.575 . . . . 74.319999999999993 110.992 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.647 ' HG ' ' O ' ' A' ' 48' ' ' THR . 31.4 mt -57.62 -48.55 79.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.312 -0.403 . . . . 75.420000000000002 111.028 -176.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.7 mt -63.15 -47.2 93.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.431 -0.349 . . . . 73.439999999999998 110.957 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -63.51 -38.6 91.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.306 -0.406 . . . . 75.019999999999996 111.212 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.456 ' HG2' HD22 ' A' ' 43' ' ' LEU . 24.5 ttm180 -67.51 -39.86 85.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.01 -0.541 . . . . 75.329999999999998 110.216 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 70.9 mt -62.33 -43.18 99.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.985 -0.552 . . . . 75.310000000000002 110.136 173.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -59.47 -43.09 93.31 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 115.81 -0.632 . . . . 63.409999999999997 111.104 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.38 88.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.939 0.4 . . . . 71.019999999999996 111.47 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -72.93 -21.9 60.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.435 0.636 . . . . 62.149999999999999 110.187 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.445 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -85.41 -38.48 18.63 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.591 -0.731 . . . . 61.219999999999999 109.176 176.416 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.457 ' OD2' ' HG2' ' A' ' 71' ' ' LYS . 15.9 t70 -61.66 -32.83 73.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.507 -0.769 . . . . 74.439999999999998 111.902 -174.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -66.81 -11.82 56.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.151 0.5 . . . . 73.400000000000006 110.972 177.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.0 mt -99.29 -19.89 5.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.865 -0.607 . . . . 75.420000000000002 109.825 176.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.409 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 50.5 m -95.32 138.66 21.88 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.724 -0.671 . . . . 72.540000000000006 111.456 -175.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 64' ' ' SER . 2.0 Cg_endo -81.88 26.5 0.62 Allowed 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.419 2.746 . . . . 72.129999999999995 112.347 178.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.5 m -84.56 126.43 68.94 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-O 121.028 0.442 . . . . 70.319999999999993 110.759 -179.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -94.68 -4.16 2.4 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 123.22 2.613 . . . . 74.5 114.09 -176.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.76 9.08 60.12 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.463 -0.875 . . . . 72.519999999999996 113.288 -174.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -124.05 158.71 59.56 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.86 0.33 . . . . 64.230000000000004 110.764 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -70.06 112.38 3.12 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.815 2.343 . . . . 54.210000000000001 111.634 177.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.457 ' HG2' ' OD2' ' A' ' 61' ' ' ASP . 19.3 mtpp -92.96 142.96 26.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.333 -0.394 . . . . 74.540000000000006 110.089 -176.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -141.75 132.86 13.19 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.348 -0.387 . . . . 54.219999999999999 110.619 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -79.57 -164.03 0.26 Allowed 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.784 2.323 . . . . 72.540000000000006 112.004 177.155 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.77 164.9 24.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.851 0.358 . . . . 74.109999999999999 110.748 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.543 -0.742 . . . . 51.43 110.306 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 110.263 -0.273 . . . . 74.329999999999998 110.263 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 83.43 -84.99 1.54 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.767 -0.73 . . . . 71.450000000000003 111.671 -177.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -169.05 144.25 3.21 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.489 -0.93 . . . . 70.349999999999994 108.489 179.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -80.5 117.73 21.48 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.888 0.375 . . . . 75.420000000000002 110.469 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -145.2 142.1 29.26 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.018 -0.537 . . . . 74.049999999999997 111.036 -178.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -128.44 153.61 46.93 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.678 -0.86 . . . . 65.510000000000005 108.678 170.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.1 p-80 -57.96 132.09 52.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.911 0.386 . . . . 74.109999999999999 111.017 -176.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.0 p-80 -165.66 148.85 7.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.97 -0.559 . . . . 74.310000000000002 109.958 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.5 m -66.44 121.5 15.44 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.112 -0.329 . . . . 75.030000000000001 110.112 177.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -73.88 83.21 1.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.347 0.594 . . . . 63.030000000000001 110.432 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 90.8 mtp -137.0 -60.01 0.69 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.592 -0.731 . . . . 74.439999999999998 109.728 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.0 m -77.42 99.88 5.77 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.55 -0.75 . . . . 73.409999999999997 110.785 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.2 m -106.16 127.82 27.55 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.184 -0.462 . . . . 75.450000000000003 110.058 174.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -69.41 96.18 0.55 Allowed 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.576 2.184 . . . . 74.230000000000004 111.564 176.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.36 -36.31 34.22 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.038 -1.097 . . . . 74.420000000000002 108.038 177.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.2 m -143.69 100.1 3.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.755 -1.112 . . . . 75.409999999999997 109.262 174.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.97 81.26 0.45 Allowed Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.941 -0.572 . . . . 64.120000000000005 112.651 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -86.88 124.79 68.44 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.934 -0.395 . . . . 73.409999999999997 109.934 177.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.75 174.89 7.94 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 122.47 2.113 . . . . 41.109999999999999 111.96 178.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.45 53.24 4.65 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 121.039 -0.601 . . . . 74.219999999999999 111.998 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.99 164.89 29.74 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.109 -0.33 . . . . 70.200000000000003 110.109 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.3 mt -120.85 147.98 47.4 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 116.119 -0.491 . . . . 75.030000000000001 110.834 -178.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.483 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 72.5 Cg_endo -77.88 151.94 28.17 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.39 2.06 . . . . 65.319999999999993 111.396 173.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.69 12.78 2.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.118 0.485 . . . . 65.230000000000004 111.094 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -104.35 16.12 26.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.923 -0.58 . . . . 70.299999999999997 110.916 -178.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 23' ' ' PRO . 92.3 mt -57.97 -35.31 71.0 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.916 0.389 . . . . 74.200000000000003 110.979 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.11 -28.29 69.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.952 -0.567 . . . . 62.149999999999999 111.369 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -85.78 -31.6 22.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.882 0.372 . . . . 65.209999999999994 110.273 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 89.4 mtp -62.15 140.99 58.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.787 -0.642 . . . . 74.209999999999994 110.495 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.604 ' HD2' ' N ' ' A' ' 30' ' ' LYS . 7.1 mptt -84.07 171.06 13.25 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.512 -0.767 . . . . 73.140000000000001 110.709 -174.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.485 HG13 ' HE3' ' A' ' 35' ' ' LYS . 60.6 t -56.41 -41.74 72.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.914 0.388 . . . . 73.340000000000003 109.992 177.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.445 ' O ' ' HG2' ' A' ' 36' ' ' GLN . . . -62.19 -43.95 97.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.724 -0.671 . . . . 64.409999999999997 110.773 177.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -62.94 -40.17 96.84 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.208 -0.451 . . . . 71.400000000000006 110.916 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 85.9 mt -65.61 -40.82 93.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.114 -0.493 . . . . 64.340000000000003 110.554 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.485 ' HE3' HG13 ' A' ' 31' ' ' VAL . 98.0 mttt -61.01 -33.21 72.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.124 -0.489 . . . . 75.420000000000002 111.257 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 17.2 mm100 -61.21 -46.39 90.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.4 -0.363 . . . . 75.209999999999994 110.587 178.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -69.11 -34.58 75.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.22 -0.445 . . . . 72.209999999999994 110.816 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.526 HD13 ' HA ' ' A' ' 45' ' ' VAL . 90.5 mt -65.3 -55.23 19.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.133 -0.485 . . . . 74.530000000000001 111.202 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -64.39 -34.49 78.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.709 0.29 . . . . 73.540000000000006 111.319 -174.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.7 mt -80.71 -10.28 59.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.529 -0.305 . . . . 74.450000000000003 111.766 -176.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -118.99 13.75 13.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.592 0.234 . . . . 75.150000000000006 110.776 178.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.8 m 62.71 69.36 0.6 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.749 -0.66 . . . . 61.539999999999999 110.852 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.2 mt -139.29 148.84 58.5 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.606 -0.724 . . . . 74.329999999999998 110.434 -178.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.642 ' HG2' ' HD3' ' A' ' 55' ' ' ARG . 20.4 Cg_endo -62.8 122.05 10.2 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.503 2.136 . . . . 63.329999999999998 111.834 176.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.526 ' HA ' HD13 ' A' ' 38' ' ' LEU . 27.7 m -92.91 6.21 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.831 -0.622 . . . . 73.019999999999996 111.949 -175.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.3 m -101.68 139.86 36.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.803 0.335 . . . . 73.439999999999998 110.688 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 140.29 -178.43 19.91 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.926 -0.579 . . . . 75.209999999999994 112.005 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.553 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 22.2 p -83.0 161.63 21.68 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.995 -0.372 . . . . 65.540000000000006 109.995 177.162 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.23 -39.65 83.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.479 0.18 . . . . 73.239999999999995 111.13 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.4 m -56.86 -48.18 78.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.016 0.436 . . . . 73.439999999999998 110.405 177.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -62.39 -46.27 89.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.732 -0.667 . . . . 72.209999999999994 110.983 177.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.553 ' HG ' ' O ' ' A' ' 48' ' ' THR . 85.4 mt -62.05 -46.1 90.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 73.120000000000005 111.611 -176.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.52 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 69.0 mt -61.33 -50.49 80.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 120.702 0.287 . . . . 74.140000000000001 110.812 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -67.81 -25.82 65.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.492 -0.322 . . . . 74.140000000000001 110.798 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.642 ' HD3' ' HG2' ' A' ' 44' ' ' PRO . 37.9 ttm180 -65.84 -41.79 91.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.184 -0.462 . . . . 75.019999999999996 110.203 176.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 77.1 mt -66.09 -43.98 85.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.859 -0.61 . . . . 74.329999999999998 110.281 175.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.52 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 53.6 mtp180 -62.58 -40.09 95.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 75.530000000000001 110.298 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.14 -34.81 79.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 74.040000000000006 110.932 177.439 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.424 ' O ' HG13 ' A' ' 63' ' ' ILE . 57.0 t80 -66.39 -40.9 89.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.106 -0.497 . . . . 74.439999999999998 110.37 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.22 -36.32 66.44 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.338 -0.392 . . . . 74.109999999999999 110.058 178.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.416 ' OD1' ' HA ' ' A' ' 65' ' ' PRO . 36.4 t70 -71.6 -22.3 61.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.811 -0.631 . . . . 65.25 111.835 -177.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -90.89 -10.4 42.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.896 -0.503 . . . . 72.329999999999998 110.651 176.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.424 HG13 ' O ' ' A' ' 59' ' ' TYR . 76.4 mt -88.81 -45.26 15.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.223 -0.658 . . . . 64.040000000000006 109.223 173.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.7 m -150.79 97.74 3.23 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.342 -0.845 . . . . 73.430000000000007 109.373 174.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.416 ' HA ' ' OD1' ' A' ' 61' ' ' ASP . 42.9 Cg_endo -67.96 158.33 57.86 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.832 2.354 . . . . 71.040000000000006 112.635 -176.21 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.445 ' HB ' ' HB1' ' A' ' 69' ' ' ALA . 6.4 m -60.84 112.49 5.76 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.191 0.519 . . . . 74.510000000000005 111.249 177.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 66' ' ' VAL . 5.2 Cg_exo -77.77 118.4 4.48 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 123.057 2.505 . . . . 71.409999999999997 112.298 -177.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.7 39.16 96.26 Favored Glycine 0 N--CA 1.452 -0.263 0 CA-C-N 115.905 -0.589 . . . . 73.349999999999994 112.852 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.445 ' HB1' ' HB ' ' A' ' 66' ' ' VAL . . . -147.61 146.71 25.4 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 110.521 -0.178 . . . . 75.239999999999995 110.521 -178.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -65.5 161.28 38.98 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.687 2.258 . . . . 71.349999999999994 111.757 175.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -86.65 -0.65 56.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.601 0.715 . . . . 74.319999999999993 109.836 -178.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -103.43 151.69 38.67 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.534 -0.757 . . . . 72.430000000000007 109.747 175.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.29 142.63 78.69 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.903 2.402 . . . . 74.239999999999995 112.529 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.91 139.47 58.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.764 -0.653 . . . . 75.109999999999999 112.13 -176.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.924 0 CA-C-O 118.659 -0.686 . . . . 63.009999999999998 109.699 178.078 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 109.759 -0.46 . . . . 72.329999999999998 109.759 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -121.27 -97.4 1.52 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.589 -0.815 . . . . 61.43 111.334 177.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -139.68 167.74 21.41 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.592 -0.522 . . . . 74.420000000000002 109.592 176.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -61.51 133.78 56.11 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.179 -0.304 . . . . 74.099999999999994 110.179 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -82.78 166.51 18.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.418 -0.356 . . . . 70.109999999999999 110.662 -177.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -75.33 146.28 41.06 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.655 -0.498 . . . . 53.43 109.655 174.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.4 p80 -100.56 133.76 44.52 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.218 0.532 . . . . 74.430000000000007 111.669 -174.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.3 p-80 -130.94 -178.4 4.8 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.335 -0.848 . . . . 74.439999999999998 109.419 173.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.1 m -58.77 117.85 5.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.996 0.427 . . . . 63.43 111.706 -175.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -151.63 143.18 23.56 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.173 -0.677 . . . . 72.010000000000005 109.173 177.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 63.4 mtm -91.65 178.31 5.96 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.464 -0.199 . . . . 75.299999999999997 110.464 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.9 m -63.77 139.29 58.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.39 -0.368 . . . . 71.030000000000001 111.155 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.7 m -98.19 113.42 63.94 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.266 -0.424 . . . . 74.109999999999999 110.529 179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_exo -76.81 91.44 1.16 Allowed 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 122.786 2.324 . . . . 65.340000000000003 110.788 174.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 pp -79.1 145.68 33.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.08 -0.509 . . . . 63.310000000000002 111.146 -173.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 p -82.3 -20.24 37.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.059 -0.519 . . . . 72.540000000000006 111.319 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.463 ' O ' ' HD3' ' A' ' 19' ' ' PRO . . . 84.04 -98.16 2.12 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.814 -0.708 . . . . 62.039999999999999 112.82 175.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -98.46 107.67 43.51 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 120.584 0.231 . . . . 72.010000000000005 111.51 -177.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.463 ' HD3' ' O ' ' A' ' 17' ' ' GLY . 4.0 Cg_exo -80.97 143.28 14.31 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 123.366 2.711 . . . . 55.310000000000002 111.468 175.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -109.93 -48.89 0.76 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.853 -0.689 . . . . 51.539999999999999 112.091 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -150.29 170.8 18.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.701 0.286 . . . . 73.5 110.768 -178.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.475 HD13 ' HB3' ' A' ' 56' ' ' LEU . 97.6 mt -123.74 151.84 64.8 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.175 -0.466 . . . . 74.450000000000003 110.168 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.53 126.61 20.36 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.397 2.065 . . . . 74.209999999999994 110.984 173.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.05 -45.78 75.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.157 -0.474 . . . . 64.420000000000002 111.798 -176.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -86.19 67.6 10.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.991 0.424 . . . . 61.299999999999997 111.538 -178.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.5 -19.84 64.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.264 0.554 . . . . 71.109999999999999 109.633 173.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -67.73 -33.25 74.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.276 -0.875 . . . . 62.43 110.712 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.13 -15.76 54.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.232 -0.44 . . . . 74.230000000000004 110.874 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 94.5 mmm -73.37 146.51 45.13 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.129 -0.487 . . . . 72.439999999999998 110.848 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.492 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 63.4 mttp -66.34 157.73 31.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.087 -0.506 . . . . 74.030000000000001 111.064 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.1 -46.97 92.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.628 -0.714 . . . . 75.549999999999997 110.438 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.42 ' O ' ' HG2' ' A' ' 36' ' ' GLN . . . -66.23 -31.22 71.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.063 -0.517 . . . . 70.129999999999995 110.979 179.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.492 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 67.9 mm-40 -72.9 -34.36 66.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.317 -0.401 . . . . 75.430000000000007 110.743 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 97.2 mt -62.2 -41.14 98.07 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.55 -0.537 . . . . 73.409999999999997 109.55 173.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.537 ' HA ' HD12 ' A' ' 38' ' ' LEU . 99.5 mttt -63.11 -35.43 80.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.376 -0.829 . . . . 73.310000000000002 110.67 177.352 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 16.3 mm100 -60.94 -46.61 90.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 75.219999999999999 110.673 177.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.457 ' HB3' HH12 ' A' ' 41' ' ' ARG . 39.5 mm-40 -70.14 -22.69 62.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.829 -0.623 . . . . 75.219999999999999 111.174 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 35' ' ' LYS . 82.4 mt -77.21 -53.86 7.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 74.310000000000002 110.725 176.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -63.87 -24.34 67.71 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.34 -0.391 . . . . 75.409999999999997 111.885 -174.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.8 mt -75.12 -23.92 57.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.766 0.317 . . . . 71.409999999999997 111.251 178.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.457 HH12 ' HB3' ' A' ' 37' ' ' GLU . 73.2 mtt85 -115.2 21.63 14.0 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.166 -0.47 . . . . 75.209999999999994 110.977 -174.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.0 m 63.68 32.09 14.01 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.472 -0.786 . . . . 62.109999999999999 111.668 175.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.9 mt -100.17 140.7 21.68 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.041 -0.527 . . . . 75.219999999999999 110.973 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -65.04 127.55 18.72 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.656 2.237 . . . . 64.430000000000007 112.14 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.47 HG13 ' HB2' ' A' ' 38' ' ' LEU . 32.0 m -95.75 7.93 6.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.12 -0.491 . . . . 64.5 111.353 -177.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.3 p -91.19 99.69 12.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.038 -0.528 . . . . 65.209999999999994 111.307 -176.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 169.05 -174.53 43.56 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.995 -0.622 . . . . 64.099999999999994 111.94 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.643 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 41.6 p -78.75 168.95 18.98 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.242 -0.281 . . . . 74.530000000000001 110.242 177.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -58.18 -38.03 75.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.015 0.436 . . . . 74.540000000000006 109.927 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.7 m -58.25 -47.94 82.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.628 -0.715 . . . . 74.099999999999994 110.326 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.491 ' O ' ' HB2' ' A' ' 55' ' ' ARG . 73.8 mm-40 -64.86 -37.7 88.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.848 -0.615 . . . . 63.329999999999998 111.31 -179.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.643 ' HG ' ' O ' ' A' ' 48' ' ' THR . 54.7 mt -61.31 -46.09 91.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.927 0.394 . . . . 63.350000000000001 110.351 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.522 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 81.3 mt -62.39 -53.1 51.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.809 -0.632 . . . . 74.430000000000007 111.042 178.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -64.63 -27.11 68.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 64.430000000000007 110.961 -176.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.491 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -65.66 -49.16 69.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 73.230000000000004 109.977 178.337 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.475 ' HB3' HD13 ' A' ' 22' ' ' LEU . 78.6 mt -59.72 -45.81 91.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.537 -0.756 . . . . 73.109999999999999 110.591 177.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.522 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 81.8 mtp180 -56.78 -48.31 78.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.74 -0.664 . . . . 71.120000000000005 110.794 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.52 -27.84 67.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 63.439999999999998 111.702 -177.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.566 ' O ' HG13 ' A' ' 63' ' ' ILE . 66.5 t80 -72.47 -52.02 17.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.498 -0.319 . . . . 73.409999999999997 110.277 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.481 ' HA ' HD13 ' A' ' 63' ' ' ILE . 24.1 tm0? -65.53 -33.05 75.02 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.162 0.506 . . . . 74.349999999999994 110.069 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -57.92 -40.11 79.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.531 -0.759 . . . . 75.140000000000001 111.267 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.537 ' HB2' ' HD2' ' A' ' 71' ' ' LYS . 10.2 pt20 -90.29 -3.17 57.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.774 0.321 . . . . 65.329999999999998 111.231 -178.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 59' ' ' TYR . 70.7 mt -78.83 -25.67 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 108.752 -0.833 . . . . 73.120000000000005 108.752 170.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.5 m -83.31 147.7 53.98 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.064 -0.971 . . . . 72.109999999999999 109.578 175.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -53.97 115.37 2.31 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.135 2.556 . . . . 74.209999999999994 113.183 -175.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.438 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 6.0 m -117.97 110.74 39.6 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.693 -0.685 . . . . 73.209999999999994 110.302 176.134 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 66' ' ' VAL . 23.1 Cg_exo -64.6 -60.86 0.12 Allowed 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.781 2.321 . . . . 74.420000000000002 112.232 -176.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -140.1 103.0 0.35 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.938 -0.648 . . . . 73.349999999999994 111.798 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -145.14 141.77 17.59 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 110.374 -0.232 . . . . 61.219999999999999 110.374 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -71.42 88.86 0.72 Allowed 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.468 2.112 . . . . 71.420000000000002 111.326 175.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.537 ' HD2' ' HB2' ' A' ' 62' ' ' GLN . 19.3 ttpp -109.76 31.84 5.51 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.506 -0.77 . . . . 75.439999999999998 110.128 -173.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.419 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . . . -57.4 124.97 70.01 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.329 -0.851 . . . . 75.010000000000005 111.104 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 72' ' ' ALA . 7.0 Cg_exo -72.64 79.3 1.91 Allowed 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.747 2.298 . . . . 63.549999999999997 111.584 178.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.62 10.5 13.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.962 -0.563 . . . . 72.340000000000003 111.203 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.384 -0.817 . . . . 70.409999999999997 109.862 178.575 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.48 1.026 0 CA-C-O 120.701 0.286 . . . . 74.329999999999998 110.632 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -107.29 -162.0 21.66 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.701 -0.762 . . . . 72.349999999999994 112.344 -178.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 65.6 m80 -72.67 134.3 45.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.932 0.396 . . . . 74.340000000000003 110.895 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -87.61 -28.93 21.59 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.431 -0.951 . . . . 64.129999999999995 108.431 174.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -103.82 105.68 15.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.16 -0.927 . . . . 74.420000000000002 109.702 172.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -74.51 -40.1 62.0 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.617 -0.512 . . . . 75.400000000000006 109.617 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -110.37 138.89 46.14 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.019 -0.734 . . . . 74.209999999999994 109.019 171.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -108.78 84.0 1.86 Allowed 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.896 -0.322 . . . . 65.329999999999998 110.436 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.0 t -164.46 113.57 1.15 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.216 -0.447 . . . . 54.009999999999998 109.911 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.6 p-80 -104.95 133.22 50.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.238 -0.437 . . . . 74.120000000000005 110.182 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.5 tpt -119.9 128.96 54.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.098 -0.501 . . . . 72.329999999999998 110.147 178.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.1 p -66.93 134.04 51.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.914 -0.584 . . . . 53.520000000000003 110.525 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.5 p -62.65 115.81 19.3 Favored Pre-proline 0 C--N 1.327 -0.405 0 O-C-N 123.449 0.468 . . . . 74.310000000000002 111.044 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -87.22 168.13 7.69 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 123.025 2.483 . . . . 73.319999999999993 113.016 -177.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.493 HD12 ' N ' ' A' ' 16' ' ' THR . 1.4 tm? -82.17 141.38 33.1 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.958 -0.756 . . . . 70.540000000000006 108.958 177.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.493 ' N ' HD12 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -75.19 35.45 0.11 Allowed 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.173 0.511 . . . . 73.219999999999999 111.899 -176.745 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.418 ' H ' ' C ' ' A' ' 15' ' ' LEU . . . -144.15 80.47 0.23 Allowed Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.515 -0.634 . . . . 74.129999999999995 111.515 -178.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -90.57 119.28 69.09 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 110.107 -0.331 . . . . 75.540000000000006 110.107 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.05 110.86 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 123.065 2.51 . . . . 72.510000000000005 113.029 -177.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.98 25.78 9.46 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.094 -0.574 . . . . 75.319999999999993 111.738 176.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.3 154.72 44.57 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.439 -0.578 . . . . 73.340000000000003 109.439 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.414 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 86.9 mt -123.18 149.81 58.31 Favored Pre-proline 0 C--N 1.323 -0.572 0 O-C-N 123.101 0.251 . . . . 74.129999999999995 110.859 -176.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.549 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 58.7 Cg_endo -74.63 147.64 35.93 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.573 2.182 . . . . 64.439999999999998 111.156 172.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.09 -6.25 52.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.118 0.485 . . . . 72.25 111.115 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.425 ' O ' ' HG3' ' A' ' 29' ' ' MET . 14.2 m120 -96.96 33.86 1.82 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.065 -0.516 . . . . 71.5 110.572 -176.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.549 ' HG ' ' O ' ' A' ' 23' ' ' PRO . 96.6 mt -58.25 -32.44 68.36 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.27 0.47 . . . . 73.310000000000002 112.27 -177.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -82.26 -26.72 32.94 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.808 -0.357 . . . . 71.420000000000002 110.739 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -71.13 -31.18 67.42 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.418 0.628 . . . . 75.549999999999997 109.637 174.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.476 ' O ' ' HE3' ' A' ' 49' ' ' LYS . 87.8 mtp -64.73 145.02 56.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.101 -0.954 . . . . 73.420000000000002 110.192 176.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.445 ' HB2' ' OE1' ' A' ' 33' ' ' GLU . 38.1 mttp -85.09 178.53 7.51 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.162 -0.472 . . . . 73.430000000000007 110.019 -178.164 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.6 t -64.27 -29.32 47.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.17 -0.468 . . . . 75.239999999999995 110.399 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.0 -59.38 3.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.976 -0.556 . . . . 63.5 111.636 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.445 ' OE1' ' HB2' ' A' ' 30' ' ' LYS . 1.2 pm0 -61.95 -32.06 72.45 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.883 0.327 . . . . 74.150000000000006 111.883 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 73.2 mt -62.03 -43.33 99.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.899 0.38 . . . . 73.25 110.379 175.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.403 ' HE2' ' O ' ' A' ' 45' ' ' VAL . 98.2 mttt -67.89 -34.99 77.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 75.540000000000006 110.503 177.391 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -59.0 -47.73 84.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.769 0.318 . . . . 70.400000000000006 110.385 175.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -59.23 -31.06 68.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 72.510000000000005 111.358 178.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.458 HD22 ' HD2' ' A' ' 55' ' ' ARG . 88.4 mt -77.68 -55.16 5.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.325 -0.398 . . . . 74.239999999999995 111.271 179.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -64.57 -28.87 69.93 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.059 0.392 . . . . 75.129999999999995 112.059 -173.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.8 mt -76.93 -10.49 59.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.893 0.378 . . . . 75.319999999999993 111.076 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.3 mtt85 -116.92 14.58 15.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.325 -0.398 . . . . 73.549999999999997 110.839 179.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.6 m 64.29 37.88 8.31 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.856 -0.611 . . . . 73.010000000000005 111.287 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 29.4 mt -107.27 150.1 39.55 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.743 -0.662 . . . . 73.120000000000005 110.148 177.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -65.17 128.74 21.18 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.699 2.266 . . . . 72.319999999999993 111.577 175.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.403 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 33.1 m -93.87 7.75 5.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.964 0.411 . . . . 74.400000000000006 111.598 -174.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.0 m -84.74 140.32 31.35 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.379 -0.373 . . . . 74.430000000000007 110.673 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 136.83 174.08 13.17 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.915 -0.659 . . . . 52.25 112.261 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.625 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 36.9 p -90.4 -175.97 4.64 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 122.199 0.2 . . . . 71.230000000000004 111.212 178.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.521 ' HE2' HD12 ' A' ' 53' ' ' ILE . 23.7 tptm -52.82 -61.39 2.32 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 122.588 0.355 . . . . 73.349999999999994 111.823 -175.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.5 m -60.49 -37.22 80.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.534 -0.303 . . . . 62.140000000000001 111.66 -177.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -64.39 -42.63 96.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.664 -0.244 . . . . 64.349999999999994 111.305 -177.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.625 ' HG ' ' O ' ' A' ' 48' ' ' THR . 64.7 mt -62.42 -44.26 96.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.144 0.497 . . . . 75.530000000000001 110.082 178.185 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.521 HD12 ' HE2' ' A' ' 49' ' ' LYS . 67.3 mt -60.44 -49.26 85.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.451 -0.795 . . . . 75.25 110.713 177.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -65.64 -40.06 92.1 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.562 -0.744 . . . . 75.420000000000002 111.465 -174.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.458 ' HD2' HD22 ' A' ' 38' ' ' LEU . 41.3 ttm-85 -61.38 -41.1 96.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.773 0.32 . . . . 72.409999999999997 110.153 178.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 77.3 mt -59.09 -47.06 86.64 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.071 -0.513 . . . . 74.239999999999995 110.404 175.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.9 mtp85 -60.14 -44.28 95.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.699 -0.682 . . . . 75.319999999999993 111.376 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.63 -33.29 75.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.057 0.456 . . . . 73.150000000000006 111.247 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -70.92 -43.55 68.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.123 -0.49 . . . . 74.510000000000005 110.532 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.414 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 17.7 tm0? -69.29 -35.97 76.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.154 0.502 . . . . 74.019999999999996 110.013 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -63.44 -43.27 97.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.461 -0.79 . . . . 70.430000000000007 111.269 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -74.54 -14.7 60.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.343 -0.39 . . . . 75.420000000000002 111.61 -176.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.7 mt -86.72 -43.24 15.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.026 0.441 . . . . 73.430000000000007 110.237 177.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 20.4 m -70.32 145.25 93.05 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.837 -0.62 . . . . 73.400000000000006 110.907 -178.175 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -67.55 103.5 0.82 Allowed 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.46 2.107 . . . . 73.549999999999997 111.015 174.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.7 m -133.18 154.55 81.21 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.04 -0.527 . . . . 73.519999999999996 110.209 -177.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -61.72 113.51 1.86 Allowed 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.631 2.221 . . . . 74.140000000000001 111.824 178.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.0 -73.52 1.14 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.914 -0.66 . . . . 75.129999999999995 112.048 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 70.88 149.25 0.12 Allowed Pre-proline 0 N--CA 1.468 0.461 0 C-N-CA 123.428 0.691 . . . . 70.239999999999995 111.512 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -59.55 118.63 5.54 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.568 2.179 . . . . 75.349999999999994 111.315 176.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.401 ' HE2' ' HB2' ' A' ' 71' ' ' LYS . 24.0 ttmm -87.8 93.35 9.43 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.771 0.319 . . . . 73.310000000000002 110.825 -175.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 55.12 79.35 0.34 Allowed Pre-proline 0 C--O 1.232 0.176 0 CA-C-N 115.388 -0.824 . . . . 70.530000000000001 111.818 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -72.25 98.55 0.93 Allowed 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.644 2.229 . . . . 64.310000000000002 111.885 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -166.16 157.04 13.04 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.161 -0.472 . . . . 62.240000000000002 109.903 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.68 -0.676 . . . . 73.310000000000002 110.596 -178.727 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.6 mtp . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 110.033 -0.358 . . . . 75.019999999999996 110.033 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -168.88 117.98 0.75 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.674 -0.774 . . . . 75.450000000000003 112.959 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -100.48 -4.05 29.57 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.712 -0.847 . . . . 73.430000000000007 108.712 173.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -54.37 136.83 43.22 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 114.387 -1.278 . . . . 72.120000000000005 111.706 178.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.4 p-80 -152.55 125.2 8.33 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.782 -0.644 . . . . 64.430000000000007 110.598 -177.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -88.98 121.97 31.87 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.824 -0.435 . . . . 75.430000000000007 109.824 174.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -152.57 129.57 11.06 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.824 -0.436 . . . . 65.010000000000005 109.824 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -75.87 -165.06 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.183 -0.462 . . . . 64.349999999999994 110.6 178.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.4 t -58.68 120.73 9.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.062 0.458 . . . . 75.0 109.97 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -85.15 155.08 21.61 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.876 -0.602 . . . . 74.129999999999995 110.64 -176.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 22.2 ptp -77.39 143.07 38.95 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.372 -0.603 . . . . 72.409999999999997 109.372 175.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.2 t -72.04 142.94 49.27 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.164 0.507 . . . . 74.400000000000006 111.264 -175.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.7 m -126.55 119.49 23.03 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.544 -0.753 . . . . 74.120000000000005 109.834 175.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -60.97 109.68 0.73 Allowed 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.916 2.41 . . . . 71.120000000000005 111.657 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 tt -91.86 95.03 9.61 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.145 0.498 . . . . 74.549999999999997 109.82 -177.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 t -134.47 116.33 15.0 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.735 -0.666 . . . . 73.430000000000007 109.39 176.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.47 -173.65 42.46 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.688 -0.768 . . . . 75.150000000000006 112.087 -178.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -165.87 102.98 0.72 Allowed Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 109.627 -0.509 . . . . 73.230000000000004 109.627 177.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -55.17 134.1 61.87 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.721 2.281 . . . . 74.109999999999999 112.412 -177.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.406 ' O ' ' HG2' ' A' ' 60' ' ' GLN . . . -103.5 -50.02 1.07 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.719 -0.753 . . . . 36.43 111.867 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.32 172.25 13.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.789 0.328 . . . . 74.049999999999997 110.95 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.3 mt -114.95 137.38 22.84 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.337 -0.392 . . . . 75.510000000000005 110.507 -178.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.52 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 58.4 Cg_endo -73.9 164.81 33.67 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.306 2.004 . . . . 75.409999999999997 111.632 175.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.94 -8.25 59.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.296 0.57 . . . . 71.430000000000007 111.037 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -95.88 23.28 6.46 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.089 -0.505 . . . . 74.450000000000003 111.829 -176.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.52 ' HG ' ' O ' ' A' ' 23' ' ' PRO . 77.1 mt -51.0 -47.07 61.63 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.395 0.517 . . . . 72.409999999999997 112.395 -176.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -83.59 -26.14 30.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.987 0.422 . . . . 71.319999999999993 111.015 -177.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -78.08 -34.48 50.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.62 -0.718 . . . . 72.109999999999999 111.271 -176.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 76.2 mtp -61.51 154.2 25.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.887 -0.597 . . . . 75.150000000000006 110.72 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.512 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 9.4 mptt -80.78 167.68 19.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.975 -0.557 . . . . 64.420000000000002 110.828 -175.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.477 HG22 ' HD3' ' A' ' 49' ' ' LYS . 59.4 t -53.9 -45.84 63.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.911 -0.586 . . . . 75.530000000000001 110.711 177.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.417 ' O ' ' HG2' ' A' ' 36' ' ' GLN . . . -62.64 -43.07 99.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.887 -0.597 . . . . 63.140000000000001 111.042 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.512 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 11.5 mm-40 -61.01 -38.87 87.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.316 -0.402 . . . . 72.439999999999998 111.129 -178.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.0 mt -70.8 -36.47 73.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.097 -0.501 . . . . 72.5 110.719 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -72.84 -25.28 61.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.361 -0.381 . . . . 73.040000000000006 110.71 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 15.0 mm100 -63.03 -38.78 92.57 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.771 -0.455 . . . . 71.409999999999997 109.771 172.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.404 ' O ' ' HG3' ' A' ' 41' ' ' ARG . 10.0 mm-40 -64.56 -48.38 75.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.795 -0.639 . . . . 54.009999999999998 110.329 175.058 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.427 HD11 HD21 ' A' ' 52' ' ' LEU . 96.0 mt -56.67 -50.3 72.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.94 -0.573 . . . . 71.340000000000003 111.515 -177.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -64.22 -26.04 68.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.462 -0.336 . . . . 62.439999999999998 111.402 -176.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.5 mt -86.83 -26.78 23.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.801 0.334 . . . . 74.129999999999995 111.321 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 41' ' ' ARG . 48.9 mtt180 -98.94 15.08 26.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.354 -0.384 . . . . 70.540000000000006 111.239 -175.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.5 m 65.5 31.36 10.2 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.317 0.579 . . . . 60.039999999999999 111.231 177.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.7 mt -105.94 149.48 38.1 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.614 -0.721 . . . . 64.109999999999999 110.528 -178.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -64.9 131.72 29.95 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.41 2.073 . . . . 61.350000000000001 111.767 176.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.1 m -89.24 4.5 5.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.885 0.374 . . . . 64.5 111.551 -177.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.4 m -81.57 120.66 25.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.218 -0.446 . . . . 70.439999999999998 110.247 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 156.33 164.64 13.6 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.488 -0.863 . . . . 52.509999999999998 112.597 178.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.708 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 25.7 p -91.34 173.71 7.77 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 122.257 0.223 . . . . 71.519999999999996 111.103 178.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.477 ' HD3' HG22 ' A' ' 31' ' ' VAL . 29.0 tptp -51.78 -46.29 64.1 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.04 0.536 . . . . 74.340000000000003 111.898 -174.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.2 m -65.7 -42.01 91.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.134 -0.485 . . . . 73.239999999999995 111.334 -178.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.51 -35.58 79.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 72.230000000000004 111.146 -175.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.708 ' HG ' ' O ' ' A' ' 48' ' ' THR . 55.7 mt -59.78 -42.63 93.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.001 -0.545 . . . . 75.439999999999998 110.359 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.3 mt -67.14 -45.37 86.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.887 -0.597 . . . . 74.230000000000004 110.898 -178.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.48 -38.09 89.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 74.439999999999998 110.62 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -63.96 -41.68 97.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.907 -0.588 . . . . 74.510000000000005 110.849 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 92.3 mt -64.25 -41.27 97.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.382 -0.372 . . . . 73.439999999999998 110.538 177.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -61.6 -52.7 63.32 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.918 -0.583 . . . . 73.120000000000005 110.932 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.86 -26.26 68.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.099 0.476 . . . . 75.219999999999999 111.443 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.423 ' O ' HG13 ' A' ' 63' ' ' ILE . 73.7 t80 -71.23 -52.63 17.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.713 -0.676 . . . . 75.239999999999995 110.671 178.543 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -62.55 -40.41 96.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.389 0.614 . . . . 75.340000000000003 109.391 179.125 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -54.65 -47.49 73.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.156 -0.929 . . . . 74.439999999999998 111.994 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -74.49 -16.58 60.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.622 0.249 . . . . 73.120000000000005 110.914 -176.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 59' ' ' TYR . 73.5 mt -83.7 -73.53 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.923 -0.399 . . . . 73.230000000000004 109.923 176.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.444 ' HA ' ' HD2' ' A' ' 65' ' ' PRO . 65.1 m 61.8 111.17 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.405 0 O-C-N 124.08 0.862 . . . . 61.130000000000003 111.622 -178.053 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.444 ' HD2' ' HA ' ' A' ' 64' ' ' SER . 11.6 Cg_endo -55.35 130.78 42.45 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.784 2.323 . . . . 73.040000000000006 112.327 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.737 HG22 ' HA ' ' A' ' 69' ' ' ALA . 12.1 m -68.21 134.32 91.41 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.963 -0.562 . . . . 74.040000000000006 111.478 -177.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 66' ' ' VAL . 30.4 Cg_exo -61.93 110.57 1.01 Allowed 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.06 2.507 . . . . 73.120000000000005 112.703 -177.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.5 -1.55 88.73 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.029 -0.605 . . . . 72.25 112.762 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.737 ' HA ' HG22 ' A' ' 66' ' ' VAL . . . 63.88 171.23 0.09 OUTLIER Pre-proline 0 CA--C 1.536 0.411 0 C-N-CA 122.698 0.399 . . . . 45.100000000000001 111.099 -178.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.571 ' HD2' ' HB2' ' A' ' 69' ' ' ALA . 11.2 Cg_endo -57.06 111.55 0.84 Allowed 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 121.885 1.723 . . . . 70.340000000000003 110.7 169.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -143.35 150.81 39.67 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.281 -0.418 . . . . 71.150000000000006 110.336 -173.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.623 ' HB3' ' HB2' ' A' ' 75' ' ' ALA . . . -100.39 152.9 37.96 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.163 -0.471 . . . . 75.439999999999998 110.628 -177.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.49 121.8 10.59 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.761 2.307 . . . . 71.25 111.844 178.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 64.21 20.34 12.14 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.769 -0.65 . . . . 71.430000000000007 111.886 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.623 ' HB2' ' HB3' ' A' ' 72' ' ' ALA . . . . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.157 -0.925 . . . . 62.229999999999997 110.118 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptp . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 120.789 0.328 . . . . 62.310000000000002 110.721 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.18 -14.61 68.68 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.971 -0.633 . . . . 55.130000000000003 112.973 -175.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -132.5 141.72 48.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.923 0.362 . . . . 72.310000000000002 110.642 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -99.9 -69.67 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.487 -0.324 . . . . 74.030000000000001 111.451 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.6 p80 -155.11 110.56 3.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.696 0.76 . . . . 74.420000000000002 112.226 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -137.75 105.17 5.51 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.076 -1.083 . . . . 74.409999999999997 108.076 169.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -114.92 144.33 43.73 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.792 -0.363 . . . . 73.019999999999996 111.057 -172.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -83.16 155.45 23.76 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.013 -0.54 . . . . 75.25 109.58 175.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.3 p -70.28 -29.49 66.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.353 0.597 . . . . 74.450000000000003 110.075 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -122.79 107.73 12.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.625 -0.716 . . . . 75.540000000000006 109.818 174.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 52.4 ttm -81.27 -56.88 3.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.264 -0.426 . . . . 72.150000000000006 109.98 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.0 p -116.33 100.23 7.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.038 -0.528 . . . . 63.240000000000002 110.431 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.434 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 3.5 m -101.58 117.99 60.69 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.1 -0.5 . . . . 74.5 110.158 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 4.3 Cg_exo -75.46 111.02 3.21 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.865 2.377 . . . . 73.329999999999998 112.162 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.86 -33.3 75.38 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.434 0.635 . . . . 73.239999999999995 109.878 176.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.9 t -139.46 132.43 29.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.555 -0.748 . . . . 72.239999999999995 109.144 174.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.29 122.04 5.73 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.644 -0.788 . . . . 64.109999999999999 112.694 -175.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 4.2 mptp? -69.82 140.73 89.19 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 109.555 -0.535 . . . . 75.549999999999997 109.555 175.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 18' ' ' LYS . 34.9 Cg_exo -62.23 176.34 1.58 Allowed 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.881 2.388 . . . . 71.099999999999994 112.501 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.73 54.32 1.67 Allowed Glycine 0 CA--C 1.519 0.3 0 CA-C-N 116.278 -0.419 . . . . 61.140000000000001 112.988 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -149.13 179.09 8.16 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.311 -0.626 . . . . 70.239999999999995 109.311 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.463 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 80.8 mt -120.72 152.26 55.59 Favored Pre-proline 0 C--N 1.318 -0.764 0 CA-C-N 116.579 -0.282 . . . . 75.25 110.311 -178.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -63.04 131.81 34.19 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.167 1.911 . . . . 75.040000000000006 110.808 171.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.42 9.23 1.8 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.899 0.38 . . . . 71.129999999999995 112.005 -176.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.427 ' HB3' ' HB2' ' A' ' 28' ' ' ASP . 17.6 m120 -125.48 46.41 2.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.455 -0.339 . . . . 72.099999999999994 110.876 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.91 -31.32 72.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.165 0.507 . . . . 73.329999999999998 109.885 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -66.43 -30.36 70.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.598 -0.728 . . . . 75.439999999999998 110.928 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.427 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 4.0 m-20 -79.39 -17.59 54.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.854 -0.612 . . . . 72.329999999999998 111.079 -179.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 86.6 mtp -83.73 160.13 21.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.074 -0.512 . . . . 75.239999999999995 110.788 -176.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.491 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 43.1 mttp -78.1 174.57 11.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.003 0.43 . . . . 72.530000000000001 110.316 178.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.492 HG13 ' HE3' ' A' ' 35' ' ' LYS . 61.3 t -65.88 -45.22 91.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.923 -0.581 . . . . 75.409999999999997 109.772 174.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.92 -36.92 84.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.918 -0.583 . . . . 74.200000000000003 111.114 178.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.491 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 81.0 mm-40 -60.24 -42.17 94.69 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.285 -0.416 . . . . 75.109999999999999 110.593 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.405 HD12 ' HB2' ' A' ' 52' ' ' LEU . 94.0 mt -67.14 -38.78 86.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.85 -0.614 . . . . 65.109999999999999 110.238 179.069 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.52 ' HA ' HD13 ' A' ' 38' ' ' LEU . 99.5 mttt -62.75 -35.6 80.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 73.0 110.698 177.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -63.36 -41.33 98.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.332 -0.394 . . . . 71.040000000000006 110.483 175.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -65.75 -32.46 74.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.068 -0.515 . . . . 71.209999999999994 110.944 176.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.52 HD13 ' HA ' ' A' ' 35' ' ' LYS . 72.8 mt -73.44 -52.11 14.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.952 -0.567 . . . . 72.450000000000003 111.502 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -63.13 -24.84 68.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.453 -0.34 . . . . 72.510000000000005 111.84 -174.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.4 mt -78.82 -14.75 59.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.758 0.313 . . . . 74.140000000000001 111.147 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 71.4 mtt85 -120.75 18.4 11.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.37 -0.377 . . . . 74.420000000000002 111.035 -177.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.1 t 65.79 26.07 11.29 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.787 -0.642 . . . . 73.120000000000005 111.432 176.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.431 ' HB3' HD22 ' A' ' 38' ' ' LEU . 40.5 mt -96.71 143.62 26.44 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 116.091 -0.504 . . . . 74.439999999999998 110.545 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.6 122.84 11.89 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.895 2.397 . . . . 71.109999999999999 112.272 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.0 m -85.72 21.51 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.78 -0.646 . . . . 70.450000000000003 111.833 -175.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.6 t -112.55 132.97 54.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.897 0.379 . . . . 72.319999999999993 110.184 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.08 178.18 23.89 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.853 -0.612 . . . . 73.239999999999995 111.628 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.642 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 33.7 p -87.27 171.93 10.26 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.423 0.154 . . . . 73.099999999999994 110.673 178.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.525 ' HE2' HD12 ' A' ' 53' ' ' ILE . 24.0 tptm -49.65 -48.42 49.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 73.099999999999994 110.657 175.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 p -64.89 -43.98 91.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.841 -0.618 . . . . 73.049999999999997 111.473 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -58.24 -47.64 82.9 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.807 0.299 . . . . 73.540000000000006 111.807 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.642 ' HG ' ' O ' ' A' ' 48' ' ' THR . 36.1 mt -62.62 -42.72 99.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.604 -0.271 . . . . 74.239999999999995 110.769 -176.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.525 HD12 ' HE2' ' A' ' 49' ' ' LYS . 77.0 mt -62.3 -50.83 78.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 116.305 -0.407 . . . . 74.5 110.811 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.411 ' OE1' ' HA ' ' A' ' 54' ' ' GLU . 7.3 mm-40 -66.51 -35.27 79.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.942 -0.572 . . . . 73.129999999999995 111.296 -177.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.8 ttm-85 -66.89 -39.68 87.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.927 0.394 . . . . 72.450000000000003 110.429 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 58.1 mt -64.65 -50.86 65.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.966 -0.561 . . . . 62.229999999999997 110.217 173.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.458 ' HD3' HG23 ' A' ' 53' ' ' ILE . 4.5 mtp85 -59.65 -44.51 93.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.744 -0.662 . . . . 73.209999999999994 111.848 -177.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.62 -33.88 76.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.848 0.356 . . . . 64.230000000000004 111.292 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.451 ' O ' HG13 ' A' ' 63' ' ' ILE . 71.6 t80 -70.99 -43.22 68.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.378 -0.374 . . . . 74.219999999999999 110.238 178.566 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.463 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 17.2 tm0? -70.73 -31.76 68.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.034 0.445 . . . . 75.150000000000006 110.042 -179.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -60.68 -46.63 89.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.864 -0.607 . . . . 73.230000000000004 111.509 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -75.83 -18.43 59.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.831 0.348 . . . . 61.420000000000002 111.302 -177.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 59' ' ' TYR . 81.2 mt -71.15 -38.39 70.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.528 0.68 . . . . 73.140000000000001 109.487 172.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.5 m -71.79 146.82 91.21 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.147 -0.933 . . . . 65.109999999999999 110.454 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -61.22 115.09 2.51 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.675 2.25 . . . . 62.009999999999998 111.596 177.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 35.3 m -84.98 134.18 41.78 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 116.159 -0.473 . . . . 74.329999999999998 110.245 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.36 42.62 1.05 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 123.11 2.54 . . . . 72.340000000000003 112.672 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.97 98.4 0.68 Allowed Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.264 -0.735 . . . . 54.219999999999999 111.264 -176.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -152.69 144.58 16.59 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-O 120.374 0.131 . . . . 64.439999999999998 110.763 -176.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.49 118.49 5.39 Favored 'Trans proline' 0 C--O 1.236 0.418 0 C-N-CA 122.697 2.265 . . . . 71.239999999999995 111.502 176.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -74.56 91.01 2.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.399 0.619 . . . . 71.209999999999994 110.719 -176.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -149.57 87.69 5.13 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.221 -0.9 . . . . 62.030000000000001 109.644 176.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -74.64 140.05 26.07 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 123.013 2.475 . . . . 64.530000000000001 112.446 -177.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.22 127.02 36.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.998 -0.547 . . . . 72.030000000000001 110.469 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.533 -0.746 . . . . 65.310000000000002 110.222 -178.494 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 120.77 0.319 . . . . 54.509999999999998 110.457 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 120.99 78.48 0.51 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.72 -0.753 . . . . 71.340000000000003 112.302 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -86.86 -6.89 58.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.959 0.409 . . . . 73.329999999999998 110.76 -178.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -101.87 35.37 2.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.904 0.383 . . . . 74.230000000000004 110.908 -178.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -58.62 -44.36 89.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.636 -0.711 . . . . 74.129999999999995 111.026 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -105.61 28.84 7.07 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.023 -0.535 . . . . 75.409999999999997 110.206 -177.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.436 ' O ' ' HB2' ' A' ' 8' ' ' HIS . 20.3 t-80 -147.34 48.16 1.12 Allowed 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.594 -0.443 . . . . 73.230000000000004 110.598 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.436 ' HB2' ' O ' ' A' ' 7' ' ' HIS . 27.1 t-80 174.88 -29.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.87 -0.604 . . . . 64.129999999999995 110.114 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 m -80.33 73.17 7.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.922 -0.581 . . . . 75.219999999999999 111.888 -174.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -132.24 110.74 10.84 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.319 -0.401 . . . . 74.430000000000007 110.084 173.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 53.7 ttm -149.62 118.07 6.5 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.035 -0.53 . . . . 70.239999999999995 110.044 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.8 m -72.55 115.75 12.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.017 -0.538 . . . . 74.400000000000006 110.687 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -75.4 164.23 62.35 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.939 -0.573 . . . . 71.25 110.724 178.148 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.42 129.84 33.5 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.086 2.524 . . . . 71.340000000000003 113.117 -176.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.505 HD23 HD23 ' A' ' 40' ' ' LEU . 54.7 tp -96.71 92.0 5.98 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.355 -0.839 . . . . 74.439999999999998 109.931 177.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.5 p -119.66 150.12 40.87 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.035 -0.529 . . . . 70.450000000000003 111.333 -177.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 84.73 55.0 2.78 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.056 -0.592 . . . . 62.439999999999998 113.013 175.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -158.57 152.59 19.79 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.744 0.272 . . . . 75.099999999999994 110.878 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -84.21 -166.69 0.38 Allowed 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.748 2.299 . . . . 64.120000000000005 112.045 174.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.42 -21.62 8.26 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.418 -0.896 . . . . 75.049999999999997 112.163 178.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.574 ' HA ' ' OE1' ' A' ' 60' ' ' GLN . . . -65.39 170.94 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.688 0.625 . . . . 64.519999999999996 112.688 -175.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.424 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 73.3 mt -112.15 146.99 36.0 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.546 -0.752 . . . . 73.140000000000001 110.601 -179.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.65 157.04 56.64 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.372 2.048 . . . . 64.439999999999998 111.351 172.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.68 14.54 4.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.106 0.479 . . . . 61.409999999999997 111.332 -177.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.41 ' O ' ' HG3' ' A' ' 29' ' ' MET . 17.2 m120 -117.51 42.08 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.192 -0.458 . . . . 74.530000000000001 110.864 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.3 mt -65.8 -29.4 69.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.045 -0.525 . . . . 70.140000000000001 111.297 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -79.69 -23.46 42.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 75.040000000000006 110.845 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -80.49 -20.99 42.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 75.230000000000004 110.794 177.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.41 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 86.7 mtp -72.32 152.26 42.21 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.088 -0.506 . . . . 64.219999999999999 110.082 178.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.542 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 8.7 mptt -82.41 163.28 21.76 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.888 -0.412 . . . . 71.340000000000003 109.888 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.51 HG22 ' HB2' ' A' ' 49' ' ' LYS . 81.1 t -55.19 -45.52 77.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.845 0.355 . . . . 74.450000000000003 111.062 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.7 -36.85 85.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 72.409999999999997 111.227 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.542 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 6.2 mm-40 -66.88 -38.12 85.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.902 0.382 . . . . 72.329999999999998 110.373 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.9 mt -63.55 -40.95 98.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.009 -0.542 . . . . 74.319999999999993 110.306 177.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.426 ' HA ' HD12 ' A' ' 38' ' ' LEU . 99.0 mttt -63.31 -31.34 72.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.978 -0.555 . . . . 74.349999999999994 110.681 177.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -64.31 -45.16 89.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.397 -0.365 . . . . 71.230000000000004 110.418 177.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.566 ' CD ' HH12 ' A' ' 41' ' ' ARG . 4.9 mm-40 -65.29 -31.02 71.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.449 -0.341 . . . . 73.510000000000005 111.003 178.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 35' ' ' LYS . 89.6 mt -70.6 -56.15 7.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.136 -0.484 . . . . 73.420000000000002 111.056 176.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -60.7 -26.91 67.48 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.398 -0.365 . . . . 73.209999999999994 111.788 -174.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.505 HD23 HD23 ' A' ' 15' ' ' LEU . 97.2 mt -83.52 -16.87 43.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.834 0.35 . . . . 74.040000000000006 111.616 -178.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.566 HH12 ' CD ' ' A' ' 37' ' ' GLU . 77.5 mtt85 -110.53 20.69 17.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.677 -0.238 . . . . 72.099999999999994 111.039 -179.43 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.2 m 65.29 28.35 11.92 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.995 -0.548 . . . . 63.549999999999997 111.544 178.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.439 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 46.1 mt -102.31 141.36 22.37 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.924 -0.58 . . . . 74.420000000000002 110.597 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 43' ' ' LEU . 25.6 Cg_exo -63.98 138.64 63.6 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.882 2.388 . . . . 74.109999999999999 111.709 175.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.8 m -98.18 17.25 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.04 -0.527 . . . . 72.019999999999996 111.343 -176.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.2 p -89.39 121.93 32.11 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.237 -0.438 . . . . 73.409999999999997 111.314 -177.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 142.05 172.85 13.76 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.83 -0.7 . . . . 63.420000000000002 112.685 177.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.673 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 21.7 p -80.21 176.81 9.43 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.39 -0.226 . . . . 74.030000000000001 110.39 176.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.51 ' HB2' HG22 ' A' ' 31' ' ' VAL . 80.8 tttt -54.61 -51.69 64.56 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.465 0.174 . . . . 74.299999999999997 111.466 -176.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.0 m -59.15 -39.45 82.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 74.299999999999997 110.829 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -62.98 -40.34 97.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.01 -0.541 . . . . 74.140000000000001 110.932 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.673 ' HG ' ' O ' ' A' ' 48' ' ' THR . 44.7 mt -65.02 -45.67 84.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.039 -0.528 . . . . 64.25 110.052 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.476 ' O ' ' HD3' ' A' ' 57' ' ' ARG . 69.7 mt -60.59 -47.55 92.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.847 -0.615 . . . . 74.230000000000004 110.65 178.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -61.01 -40.04 92.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 71.349999999999994 111.487 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.423 ' HD3' ' HD2' ' A' ' 44' ' ' PRO . 36.5 ttm-85 -67.37 -37.87 83.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.864 0.364 . . . . 75.200000000000003 110.252 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.424 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . 66.1 mt -61.34 -46.79 88.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.005 -0.543 . . . . 75.129999999999995 110.493 174.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.476 ' HD3' ' O ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -63.23 -37.76 88.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.414 . . . . 74.319999999999993 111.464 179.23 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.27 -33.69 76.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.071 0.462 . . . . 72.239999999999995 110.778 177.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.534 ' O ' HG12 ' A' ' 63' ' ' ILE . 75.2 t80 -78.66 -46.08 19.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.123 -0.49 . . . . 73.299999999999997 110.572 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.574 ' OE1' ' HA ' ' A' ' 21' ' ' ALA . 48.9 tp60 -65.04 -33.06 75.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.292 -0.413 . . . . 73.340000000000003 111.672 -178.142 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -64.88 -42.82 94.51 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.67 0.271 . . . . 74.409999999999997 111.182 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 59' ' ' TYR . 11.4 pt20 -76.09 -11.45 59.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.332 -0.394 . . . . 71.129999999999995 110.868 -177.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.534 HG12 ' O ' ' A' ' 59' ' ' TYR . 46.2 mm -64.31 -36.33 76.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 N-CA-C 109.508 -0.552 . . . . 73.109999999999999 109.508 174.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.2 t -87.0 141.29 33.1 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.501 -0.772 . . . . 71.109999999999999 109.188 175.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -51.63 115.13 1.91 Allowed 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 123.141 2.561 . . . . 73.209999999999994 112.52 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 11.0 m -116.09 151.56 46.76 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.873 -0.603 . . . . 71.439999999999998 110.436 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 11.4 Cg_exo -71.92 -24.62 20.74 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 123.091 2.527 . . . . 72.010000000000005 112.994 -178.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -92.41 -67.94 1.12 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.844 -0.693 . . . . 55.420000000000002 112.16 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.459 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . . . 74.44 145.65 0.11 Allowed Pre-proline 0 N--CA 1.467 0.382 0 C-N-CA 123.757 0.823 . . . . 70.409999999999997 111.5 178.402 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 69' ' ' ALA . 26.4 Cg_exo -64.02 -179.76 0.88 Allowed 'Trans proline' 0 C--O 1.237 0.447 0 C-N-CA 123.119 2.546 . . . . 74.450000000000003 112.761 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.92 37.08 21.73 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.803 -0.635 . . . . 73.219999999999999 110.552 -176.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -94.82 157.18 37.23 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.558 -0.747 . . . . 73.010000000000005 109.962 177.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.47 150.26 43.37 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.787 2.325 . . . . 73.510000000000005 112.288 178.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.73 7.74 28.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.096 -0.502 . . . . 75.439999999999998 111.497 -176.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.283 -0.865 . . . . 39.030000000000001 110.412 -179.546 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.0 mtp . . . . . 0 N--CA 1.478 0.936 0 CA-C-O 120.935 0.398 . . . . 74.019999999999996 110.33 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 94.41 173.14 38.46 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.773 -0.727 . . . . 74.109999999999999 112.978 177.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -157.47 130.64 7.72 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.135 -0.691 . . . . 64.140000000000001 109.135 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -136.73 96.81 3.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.895 0.378 . . . . 72.310000000000002 110.95 -176.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -135.28 109.3 8.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.106 -0.497 . . . . 75.239999999999995 111.055 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -108.85 107.79 18.33 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.694 -0.684 . . . . 73.209999999999994 109.567 175.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -72.32 86.43 1.11 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.084 -0.507 . . . . 64.349999999999994 110.25 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -94.51 -34.15 12.8 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.372 -0.603 . . . . 64.150000000000006 109.372 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 m -76.07 107.29 8.19 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.633 -0.877 . . . . 74.25 108.633 173.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -59.02 -52.19 66.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.114 -0.493 . . . . 74.450000000000003 111.661 -171.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 45.4 ttm -173.99 108.82 0.14 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 123.192 0.308 . . . . 74.120000000000005 110.409 -175.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.7 p -76.57 103.81 6.76 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.258 0.551 . . . . 65.120000000000005 110.235 176.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.0 m -99.24 125.99 39.47 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.981 -0.554 . . . . 74.209999999999994 111.279 -174.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -83.35 158.7 14.89 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.764 2.309 . . . . 75.099999999999994 112.5 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -133.63 120.4 20.63 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.55 -0.537 . . . . 72.510000000000005 109.55 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.9 t -164.05 149.54 10.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.195 -0.457 . . . . 54.049999999999997 110.181 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 143.09 164.68 10.33 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 121.079 -0.582 . . . . 41.200000000000003 112.027 178.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.525 ' HE2' ' HB3' ' A' ' 40' ' ' LEU . 99.6 mttt 68.99 98.51 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.342 0 C-N-CA 123.077 0.551 . . . . 75.329999999999998 111.128 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -76.71 154.89 34.92 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.977 2.451 . . . . 75.200000000000003 112.012 177.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.82 -40.66 25.5 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.587 -0.816 . . . . 65.120000000000005 111.326 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.47 -159.79 0.71 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.784 -0.45 . . . . 71.510000000000005 109.784 177.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.565 HD11 ' HB3' ' A' ' 56' ' ' LEU . 89.8 mt -121.93 150.56 56.3 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.885 -0.413 . . . . 74.25 109.885 176.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -74.72 157.22 44.11 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.271 1.98 . . . . 71.209999999999994 111.292 173.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.32 -14.96 61.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.67 0.747 . . . . 64.310000000000002 110.169 177.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.892 ' HB3' ' HB3' ' A' ' 28' ' ' ASP . 4.2 m-20 -93.44 41.34 1.08 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.352 -0.84 . . . . 74.340000000000003 111.646 -175.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.3 mt -63.56 -35.21 79.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 74.400000000000006 111.013 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -81.66 -21.14 38.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.228 0.537 . . . . 71.099999999999994 110.386 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.892 ' HB3' ' HB3' ' A' ' 25' ' ' ASN . 35.2 t70 -76.73 -24.54 53.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.65 -0.705 . . . . 73.549999999999997 109.433 177.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 85.8 mtp -79.24 153.86 29.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.515 -0.766 . . . . 74.430000000000007 109.835 173.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.453 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 44.9 mttp -86.55 176.69 7.69 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.883 0.373 . . . . 73.329999999999998 110.684 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.429 HG13 HD12 ' A' ' 52' ' ' LEU . 69.1 t -62.5 -36.09 73.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.768 -0.651 . . . . 75.25 110.453 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.99 -59.11 4.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.865 -0.607 . . . . 61.43 111.855 -177.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.401 ' OE1' ' HB2' ' A' ' 30' ' ' LYS . 1.0 OUTLIER -61.71 -29.31 70.02 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 112.002 0.371 . . . . 61.350000000000001 112.002 -179.257 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 65.3 mt -64.8 -41.02 96.14 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.77 -0.372 . . . . 75.299999999999997 110.328 175.306 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.496 ' HA ' HD12 ' A' ' 38' ' ' LEU . 98.4 mttt -70.31 -28.95 65.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 73.019999999999996 110.852 177.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -60.15 -44.46 94.95 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.494 -0.321 . . . . 74.019999999999996 110.401 177.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -60.33 -48.84 80.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.027 0.441 . . . . 74.209999999999994 110.409 174.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.537 ' HA ' ' HB2' ' A' ' 43' ' ' LEU . 76.1 mt -57.51 -51.77 68.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.84 -0.618 . . . . 74.239999999999995 111.746 -177.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.466 ' HB3' HG12 ' A' ' 45' ' ' VAL . 18.0 ptmt -70.97 -19.26 62.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.796 0.331 . . . . 72.239999999999995 111.768 -173.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.525 ' HB3' ' HE2' ' A' ' 18' ' ' LYS . 64.9 mt -87.01 -32.28 20.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.824 0.345 . . . . 70.209999999999994 111.187 176.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -103.87 24.92 10.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.319 -0.4 . . . . 71.319999999999993 111.573 -172.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.1 t 63.62 39.0 9.14 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.562 0.696 . . . . 61.340000000000003 111.174 173.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.537 ' HB2' ' HA ' ' A' ' 38' ' ' LEU . 40.9 mt -116.51 146.22 37.01 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.814 -0.63 . . . . 74.120000000000005 110.605 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.538 ' HD2' ' HD3' ' A' ' 55' ' ' ARG . 30.7 Cg_exo -62.62 120.86 8.57 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.704 2.269 . . . . 74.319999999999993 111.984 175.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.517 HG11 ' HB2' ' A' ' 38' ' ' LEU . 33.4 m -83.66 -13.7 11.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.309 -0.405 . . . . 75.510000000000005 111.446 -178.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.6 p -71.68 130.56 41.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.21 -0.45 . . . . 64.140000000000001 110.768 -178.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 142.5 167.36 11.38 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.984 -0.627 . . . . 73.120000000000005 112.027 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.674 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 12.7 p -87.38 -178.12 6.09 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 122.175 0.19 . . . . 64.299999999999997 110.989 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.513 ' HE2' HD13 ' A' ' 53' ' ' ILE . 24.3 tptm -53.63 -47.38 70.33 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.508 -0.315 . . . . 73.129999999999995 110.968 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.4 m -60.91 -44.55 97.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.062 -0.517 . . . . 75.099999999999994 110.864 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -59.51 -47.91 83.68 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.076 -0.511 . . . . 73.239999999999995 110.971 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.674 ' HG ' ' O ' ' A' ' 48' ' ' THR . 49.7 mt -58.4 -47.32 84.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.876 -0.602 . . . . 70.329999999999998 110.712 -177.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.513 HD13 ' HE2' ' A' ' 49' ' ' LYS . 81.7 mt -60.3 -51.56 71.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.978 -0.555 . . . . 71.239999999999995 111.104 -179.219 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -65.38 -40.4 93.48 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.76 0.281 . . . . 74.340000000000003 111.76 -177.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.538 ' HD3' ' HD2' ' A' ' 44' ' ' PRO . 36.0 ttm180 -62.69 -40.74 98.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.852 0.358 . . . . 74.200000000000003 110.554 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.565 ' HB3' HD11 ' A' ' 22' ' ' LEU . 65.2 mt -64.52 -45.24 88.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.106 -0.497 . . . . 73.519999999999996 110.702 175.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -58.18 -44.34 87.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 73.200000000000003 111.275 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.89 -37.56 81.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.357 -0.383 . . . . 62.149999999999999 110.972 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.403 ' CD2' HD11 ' A' ' 43' ' ' LEU . 48.3 t80 -67.95 -50.42 56.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 74.150000000000006 111.588 -179.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.5 -29.1 68.44 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.046 -0.262 . . . . 74.420000000000002 110.931 -176.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -55.14 -41.15 71.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.997 0.427 . . . . 71.230000000000004 110.881 178.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -67.03 -28.3 68.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.676 -0.693 . . . . 64.310000000000002 110.665 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 57.3 mt -81.76 -60.95 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.867 -0.606 . . . . 73.329999999999998 110.092 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.6 m -142.1 139.88 18.64 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.836 -0.62 . . . . 74.400000000000006 110.354 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -68.43 170.52 14.72 Favored 'Trans proline' 0 C--O 1.237 0.429 0 C-N-CA 122.401 2.067 . . . . 73.129999999999995 112.289 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.407 HG11 ' HA ' ' A' ' 70' ' ' PRO . 30.4 m -61.48 148.39 86.2 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.012 -0.54 . . . . 64.310000000000002 111.172 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.79 -59.35 0.21 Allowed 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.894 2.396 . . . . 71.140000000000001 112.606 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -143.17 87.16 0.18 Allowed Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 111.392 -0.683 . . . . 75.420000000000002 111.392 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.461 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . . . 71.56 141.57 0.08 OUTLIER Pre-proline 0 N--CA 1.463 0.224 0 C-N-CA 123.392 0.677 . . . . 72.329999999999998 111.076 -176.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 69' ' ' ALA . 14.7 Cg_exo -68.84 109.8 2.21 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 122.616 2.21 . . . . 75.310000000000002 111.333 176.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -69.42 94.0 0.7 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.969 0.414 . . . . 61.43 110.821 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.523 ' N ' ' HD3' ' A' ' 73' ' ' PRO . . . -154.84 59.73 2.45 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.771 -0.65 . . . . 75.120000000000005 111.15 176.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.523 ' HD3' ' N ' ' A' ' 72' ' ' ALA . 37.1 Cg_endo -96.55 83.44 0.09 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.292 0 C-N-CA 123.1 2.534 . . . . 73.420000000000002 111.061 176.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 55.69 66.79 1.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.34 0.591 . . . . 74.329999999999998 110.349 -173.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-N 115.706 -0.679 . . . . 38.289999999999999 110.112 -177.131 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.8 0.333 . . . . 74.349999999999994 110.396 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 171.13 128.68 1.05 Allowed Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 121.093 -0.575 . . . . 51.310000000000002 111.741 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -99.67 84.63 2.97 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 110.024 -0.361 . . . . 74.519999999999996 110.024 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -174.43 106.73 0.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.631 -0.713 . . . . 73.439999999999998 110.388 -176.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.4 p-80 -141.72 105.09 4.65 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.23 0.538 . . . . 73.530000000000001 109.62 173.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -71.51 92.14 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.843 -0.617 . . . . 75.109999999999999 110.684 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.6 t-160 -167.71 94.64 0.42 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.578 -0.737 . . . . 53.32 109.099 178.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -78.98 105.48 10.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.902 -0.59 . . . . 70.530000000000001 110.31 -175.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.1 p -108.16 -47.78 3.48 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.253 -0.43 . . . . 74.310000000000002 111.542 -178.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 62.37 27.8 16.55 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.969 0.89 . . . . 74.5 109.065 -174.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 49.7 ttm -91.17 -4.12 56.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.044 -0.98 . . . . 62.119999999999997 110.752 -175.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.9 t -104.17 124.7 49.58 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.804 -0.443 . . . . 50.420000000000002 109.804 177.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.7 p -99.86 138.99 20.46 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.512 -0.313 . . . . 70.140000000000001 111.164 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -64.59 126.17 16.31 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.705 2.27 . . . . 73.209999999999994 111.009 173.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.3 tp -135.92 130.69 34.15 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.481 -0.327 . . . . 73.239999999999995 110.669 -175.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.3 m -71.41 -44.56 64.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.269 -0.423 . . . . 75.450000000000003 110.048 175.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.58 28.41 4.01 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.456 -0.878 . . . . 74.120000000000005 112.89 174.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 27.3 mmtp -80.14 147.4 65.08 Favored Pre-proline 0 C--N 1.323 -0.574 0 C-N-CA 120.732 -0.387 . . . . 74.439999999999998 110.417 177.661 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 18' ' ' LYS . 25.5 Cg_exo -62.48 147.34 95.01 Favored 'Trans proline' 0 C--O 1.237 0.46 0 C-N-CA 122.924 2.416 . . . . 72.219999999999999 112.622 -178.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.15 47.29 3.49 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.798 -0.637 . . . . 51.039999999999999 111.615 175.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.1 159.8 42.01 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.056 -0.35 . . . . 74.319999999999993 110.056 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.3 mt -121.84 142.72 36.78 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.707 0.289 . . . . 75.019999999999996 111.167 -176.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.46 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 60.7 Cg_endo -75.88 151.3 35.52 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.568 2.178 . . . . 64.349999999999994 111.304 172.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.55 18.72 1.43 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.094 0.473 . . . . 70.329999999999998 111.146 -178.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.429 ' HB3' ' HB2' ' A' ' 28' ' ' ASP . 20.7 m120 -123.07 33.6 5.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.214 -0.448 . . . . 72.239999999999995 110.339 178.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 23' ' ' PRO . 90.9 mt -61.47 -28.93 69.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 60.049999999999997 111.279 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -81.69 -24.71 36.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.982 0.42 . . . . 65.400000000000006 110.38 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.429 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 6.6 m-20 -69.48 -28.2 65.86 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.504 -0.554 . . . . 75.340000000000003 109.504 173.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 88.1 mtp -73.78 155.76 38.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.475 -0.784 . . . . 73.209999999999994 110.261 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.452 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 50.5 mttp -78.52 168.81 19.23 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.236 -0.438 . . . . 74.400000000000006 111.179 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.5 t -64.71 -43.27 96.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.015 -0.539 . . . . 72.319999999999993 110.36 177.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.73 -38.08 86.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.985 -0.552 . . . . 74.400000000000006 110.594 177.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.452 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 9.2 mm-40 -56.76 -50.2 72.97 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.763 -0.653 . . . . 63.520000000000003 110.741 176.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.97 -43.9 98.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.686 -0.688 . . . . 73.140000000000001 110.589 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.504 ' HE2' ' O ' ' A' ' 45' ' ' VAL . 93.3 mttt -61.43 -40.92 96.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.113 -0.494 . . . . 72.019999999999996 111.479 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -60.43 -46.81 88.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.724 0.297 . . . . 65.030000000000001 110.322 177.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -63.58 -33.51 75.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.185 -0.461 . . . . 73.340000000000003 111.255 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.402 ' HB2' HG12 ' A' ' 45' ' ' VAL . 71.2 mt -68.4 -58.19 4.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 73.549999999999997 111.063 177.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.448 ' HE2' HG13 ' A' ' 45' ' ' VAL . 18.3 ptpt -64.46 -26.09 68.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.496 -0.32 . . . . 75.519999999999996 111.697 -173.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.7 mt -80.85 -10.76 59.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.71 0.29 . . . . 74.219999999999999 111.176 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 75.0 mtt85 -115.23 18.34 16.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.32 -0.4 . . . . 72.409999999999997 110.825 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t 71.41 16.83 5.94 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.689 0.618 . . . . 71.200000000000003 111.549 176.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.9 mt -94.74 144.85 28.56 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.231 -0.44 . . . . 75.219999999999999 110.967 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.523 ' HG2' ' HD3' ' A' ' 55' ' ' ARG . 28.8 Cg_endo -64.59 140.07 66.92 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.404 2.07 . . . . 64.200000000000003 111.558 174.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.504 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 23.4 m -101.27 0.25 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 112.011 0.374 . . . . 72.040000000000006 112.011 -175.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.1 m -82.41 128.44 34.25 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.899 0.38 . . . . 61.049999999999997 111.134 -178.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.08 172.57 18.93 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.017 -0.611 . . . . 72.349999999999994 111.695 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.566 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 28.8 p -85.75 179.98 6.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 117.017 0.408 . . . . 74.049999999999997 111.065 178.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -53.15 -55.03 27.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 72.239999999999995 111.776 -176.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.0 m -65.36 -37.87 88.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.542 -0.299 . . . . 65.140000000000001 111.284 -177.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -63.98 -41.68 97.46 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.488 -0.324 . . . . 75.340000000000003 111.35 -178.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 48' ' ' THR . 73.1 mt -63.8 -41.67 97.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.96 0.409 . . . . 73.519999999999996 110.5 179.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.439 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 75.9 mt -61.37 -48.48 88.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.848 -0.614 . . . . 74.209999999999994 110.315 176.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.416 ' OE1' ' HD3' ' A' ' 57' ' ' ARG . 2.0 tp10 -62.07 -40.5 96.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.732 -0.667 . . . . 73.340000000000003 111.082 -177.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.523 ' HD3' ' HG2' ' A' ' 44' ' ' PRO . 37.8 ttm180 -62.68 -41.91 99.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.814 -0.63 . . . . 74.25 110.616 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.9 mt -61.79 -44.16 97.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.073 -0.512 . . . . 71.409999999999997 110.337 174.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.439 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 84.0 mtp180 -60.21 -45.1 94.34 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.968 -0.56 . . . . 74.030000000000001 111.146 -179.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.84 -47.14 86.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.835 0.35 . . . . 50.119999999999997 110.775 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.409 ' O ' HG13 ' A' ' 63' ' ' ILE . 73.4 t80 -61.39 -43.77 98.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.854 -0.612 . . . . 73.439999999999998 111.018 -179.051 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -71.48 -41.85 68.82 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.978 -0.556 . . . . 61.420000000000002 111.323 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -65.48 -39.9 92.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.267 -0.424 . . . . 54.409999999999997 111.758 -174.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -79.61 3.04 20.21 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.743 0.275 . . . . 71.409999999999997 111.743 -175.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 59' ' ' TYR . 69.3 mt -71.58 -37.06 62.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.895 -0.409 . . . . 65.040000000000006 109.895 175.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 t -85.28 122.28 73.77 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.964 -0.562 . . . . 63.43 109.835 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.01 174.06 11.87 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.651 2.234 . . . . 61.32 112.419 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 16.4 m -86.62 136.95 34.29 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.361 -0.382 . . . . 74.409999999999997 111.136 -178.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -61.14 -44.05 26.1 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.253 2.636 . . . . 74.120000000000005 112.792 -177.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -72.27 -52.9 9.71 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.602 -0.809 . . . . 70.040000000000006 111.947 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 65.59 119.88 0.02 OUTLIER Pre-proline 0 N--CA 1.466 0.33 0 C-N-CA 123.397 0.679 . . . . 61.219999999999999 112.759 175.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_exo -68.78 153.59 72.72 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.409 2.072 . . . . 75.239999999999995 110.493 172.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -73.52 85.0 1.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.166 0.508 . . . . 74.209999999999994 109.87 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -156.81 151.45 20.57 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.443 -0.799 . . . . 71.230000000000004 109.204 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -56.62 100.72 0.09 OUTLIER 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.727 2.285 . . . . 71.219999999999999 112.692 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -105.11 79.35 1.48 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 121.361 0.6 . . . . 55.219999999999999 110.492 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.888 0 CA-C-O 118.281 -0.866 . . . . 71.450000000000003 109.696 178.94 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.4 mtm . . . . . 0 N--CA 1.483 1.209 0 CA-C-O 120.632 0.254 . . . . 74.329999999999998 110.438 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.46 -95.64 0.21 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.908 -0.663 . . . . 52.32 111.868 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -90.31 112.61 24.23 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.907 0.384 . . . . 63.140000000000001 110.245 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -94.32 -42.31 8.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.967 -0.56 . . . . 72.510000000000005 110.244 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -84.75 86.88 7.29 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.787 -0.642 . . . . 73.120000000000005 110.054 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -84.61 -62.89 1.44 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.867 -0.606 . . . . 74.420000000000002 110.751 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 39.0 p-80 -75.38 142.86 43.04 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.562 -0.455 . . . . 73.129999999999995 109.847 -178.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -111.08 164.19 13.09 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.264 -0.425 . . . . 61.299999999999997 110.123 -177.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 m -121.16 24.73 9.93 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.376 0.607 . . . . 74.329999999999998 110.032 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -121.17 100.25 6.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.65 -0.705 . . . . 74.219999999999999 110.552 -176.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 91.7 mmm 53.0 28.54 6.78 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 123.585 0.553 . . . . 64.439999999999998 111.181 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.4 m -95.72 90.65 5.75 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.171 0.51 . . . . 65.540000000000006 111.499 -171.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.425 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 2.8 p -118.9 122.5 29.68 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.853 -0.612 . . . . 65.549999999999997 110.082 174.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 14.4 Cg_exo -67.95 92.03 0.38 Allowed 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.657 2.238 . . . . 60.530000000000001 112.097 -178.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -112.73 103.58 11.61 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.108 -0.701 . . . . 63.329999999999998 109.108 176.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.1 p -94.73 95.09 8.5 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.178 0.514 . . . . 73.129999999999995 110.855 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -133.72 117.23 1.83 Allowed Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.581 -0.736 . . . . 75.349999999999994 111.29 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -99.13 120.59 57.91 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-O 120.684 0.278 . . . . 64.310000000000002 110.549 -178.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -83.64 141.89 10.04 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 122.618 2.212 . . . . 65.209999999999994 112.224 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.15 -24.87 58.68 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.7 -0.762 . . . . 75.129999999999995 111.67 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.26 -159.73 0.97 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.55 -0.537 . . . . 74.430000000000007 109.55 178.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.6 mt -122.34 146.0 45.95 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 109.848 -0.427 . . . . 74.439999999999998 109.848 175.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.87 164.5 16.28 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.473 2.116 . . . . 71.230000000000004 111.889 174.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.23 4.64 53.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.217 0.532 . . . . 72.530000000000001 110.551 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -120.61 42.38 3.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.813 -0.63 . . . . 71.129999999999995 110.993 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.8 mt -67.43 -29.15 68.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.4 0.619 . . . . 72.409999999999997 109.422 176.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.47 -29.69 70.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.154 -0.93 . . . . 72.430000000000007 110.445 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -77.38 -26.92 52.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.619 -0.719 . . . . 63.420000000000002 110.909 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 88.2 mtp -74.46 160.26 31.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.886 -0.597 . . . . 74.310000000000002 110.963 -176.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.529 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 37.7 mttp -95.38 177.18 5.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.097 -0.501 . . . . 75.310000000000002 110.576 -178.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.426 HG12 HD13 ' A' ' 52' ' ' LEU . 84.5 t -63.05 -46.0 97.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.858 -0.61 . . . . 63.439999999999998 110.517 177.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.17 -37.88 86.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.875 -0.602 . . . . 73.010000000000005 111.194 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.529 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 5.0 mm-40 -66.61 -44.9 80.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 64.400000000000006 109.976 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 96.9 mt -66.17 -29.65 69.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.767 -0.652 . . . . 64.439999999999998 111.243 -177.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.541 ' HG2' ' HB ' ' A' ' 45' ' ' VAL . 93.0 mttt -58.91 -33.53 70.65 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.527 -0.306 . . . . 75.120000000000005 111.507 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -66.91 -42.77 84.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.649 -0.25 . . . . 72.430000000000007 110.938 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -67.56 -32.05 72.55 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.032 0.444 . . . . 74.340000000000003 110.61 178.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.488 HD11 ' HA ' ' A' ' 45' ' ' VAL . 78.9 mt -71.51 -52.79 16.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.941 -0.572 . . . . 74.040000000000006 111.094 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -60.76 -32.34 71.65 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.656 0.265 . . . . 72.219999999999999 111.706 -175.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.3 mt -76.07 -12.96 60.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.859 0.361 . . . . 73.510000000000005 111.378 -178.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 54.3 mtt-85 -117.57 15.35 14.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.264 -0.425 . . . . 73.019999999999996 110.682 -178.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.1 t 65.34 26.16 12.07 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.608 -0.723 . . . . 74.25 110.882 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.0 mt -93.8 145.58 30.14 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.022 -0.535 . . . . 75.450000000000003 111.287 -178.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -64.44 128.86 22.32 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.826 2.351 . . . . 72.430000000000007 112.067 176.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.541 ' HB ' ' HG2' ' A' ' 35' ' ' LYS . 27.2 m -93.17 1.35 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.908 -0.587 . . . . 73.129999999999995 111.242 -176.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.5 p -96.71 136.35 37.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.958 -0.564 . . . . 54.350000000000001 110.986 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 138.63 177.84 15.71 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 116.003 -0.544 . . . . 74.540000000000006 111.965 178.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.554 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 51.7 p -73.34 160.63 31.53 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.543 0.171 . . . . 73.140000000000001 110.616 178.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.516 ' HE2' HD12 ' A' ' 53' ' ' ILE . 87.3 tttt -56.67 -38.83 72.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.778 0.323 . . . . 72.299999999999997 110.387 178.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.2 m -56.22 -48.84 75.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.873 -0.603 . . . . 61.299999999999997 110.328 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -58.58 -48.65 80.24 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 115.851 -0.613 . . . . 72.420000000000002 110.727 177.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 48' ' ' THR . 49.8 mt -56.72 -51.69 67.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.348 -0.387 . . . . 75.109999999999999 111.375 -176.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.516 HD12 ' HE2' ' A' ' 49' ' ' LYS . 71.1 mt -62.69 -51.1 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.016 0.436 . . . . 74.420000000000002 110.991 -178.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -66.64 -33.08 74.85 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.112 -0.495 . . . . 75.219999999999999 111.656 -176.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -67.57 -40.07 84.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.293 -0.412 . . . . 72.439999999999998 110.16 178.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.3 mt -64.0 -46.73 83.21 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.942 -0.572 . . . . 73.200000000000003 110.5 174.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -55.67 -55.61 30.19 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 115.923 -0.58 . . . . 74.310000000000002 110.546 178.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.62 -35.68 74.82 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.349 0.406 . . . . 63.219999999999999 111.674 -177.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -68.05 -46.23 71.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.482 -0.326 . . . . 71.230000000000004 110.908 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.406 ' HA ' HD12 ' A' ' 63' ' ' ILE . 18.1 tm0? -79.49 -29.35 41.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.424 -0.353 . . . . 74.329999999999998 110.809 -176.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -61.18 -46.64 89.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.119 -0.491 . . . . 74.409999999999997 111.116 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -73.84 -5.42 40.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.095 -0.502 . . . . 75.140000000000001 112.028 -176.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.406 HD12 ' HA ' ' A' ' 60' ' ' GLN . 70.4 mt -72.59 -27.83 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.283 0.563 . . . . 74.420000000000002 109.884 176.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.0 t -96.18 147.07 32.4 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.765 -0.652 . . . . 73.049999999999997 109.426 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -59.79 107.74 0.42 Allowed 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 122.48 2.12 . . . . 72.140000000000001 111.368 175.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 19.4 m -113.92 148.23 39.47 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.988 -0.551 . . . . 75.439999999999998 110.872 -178.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_exo -56.58 118.18 4.97 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.101 2.534 . . . . 65.530000000000001 112.02 179.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.75 -43.16 2.75 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.124 -0.56 . . . . 72.219999999999999 112.244 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 58.2 92.92 0.06 OUTLIER Pre-proline 0 N--CA 1.465 0.305 0 C-N-CA 122.982 0.513 . . . . 74.450000000000003 111.174 -177.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -57.09 112.65 1.17 Allowed 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.878 2.385 . . . . 73.430000000000007 112.995 -176.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -69.15 144.38 53.84 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.859 -0.793 . . . . 71.109999999999999 108.859 173.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -48.66 112.26 2.28 Favored Pre-proline 0 N--CA 1.466 0.367 0 O-C-N 123.548 0.53 . . . . 74.25 111.732 -175.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -92.03 131.64 1.19 Allowed 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 123.252 2.635 . . . . 64.200000000000003 112.774 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -102.94 143.66 32.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.828 -0.624 . . . . 75.439999999999998 110.238 175.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.592 -0.718 . . . . 44.329999999999998 110.216 -179.223 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.2 ttp . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.719 0.295 . . . . 71.109999999999999 110.471 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.41 155.25 31.74 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.725 -0.75 . . . . 52.439999999999998 112.537 176.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -121.02 113.14 19.64 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.823 -0.806 . . . . 71.540000000000006 108.823 178.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -82.33 144.0 30.88 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.657 -0.247 . . . . 72.209999999999994 110.419 -174.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -51.06 -47.32 61.81 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.55 0.531 . . . . 73.239999999999995 112.359 -177.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -87.41 123.11 32.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.94 0.4 . . . . 72.400000000000006 111.056 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -144.76 117.96 8.94 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.815 -0.809 . . . . 65.519999999999996 108.815 175.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -85.54 73.11 10.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.539 0.685 . . . . 72.099999999999994 111.483 -178.221 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.4 m -78.49 116.16 18.69 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.343 -0.844 . . . . 64.340000000000003 110.808 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -149.45 147.44 28.24 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.05 -0.523 . . . . 65.120000000000005 109.67 178.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.426 ' O ' ' HG3' ' A' ' 11' ' ' MET . 13.7 ptp -116.95 99.79 7.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.46 0.647 . . . . 73.140000000000001 111.037 178.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.9 p -101.68 -4.99 25.57 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.759 -0.655 . . . . 74.409999999999997 109.792 176.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.419 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 6.1 p -129.58 143.16 47.87 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.046 -0.979 . . . . 71.010000000000005 110.108 177.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 15.8 Cg_exo -68.44 146.42 68.29 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.725 2.283 . . . . 53.420000000000002 111.804 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.4 tp -79.02 154.16 29.69 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.03 -0.532 . . . . 74.140000000000001 110.087 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.3 t -76.49 165.82 24.28 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.078 -0.51 . . . . 72.340000000000003 110.283 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -92.91 -139.95 9.57 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.732 -0.747 . . . . 75.120000000000005 112.825 -177.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.2 mptt 63.87 78.9 0.27 Allowed Pre-proline 0 N--CA 1.464 0.244 0 CA-C-O 121.079 0.466 . . . . 72.430000000000007 110.534 -177.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.4 -4.12 14.35 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.009 2.473 . . . . 72.439999999999998 113.084 -174.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.81 -10.46 72.2 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.985 -0.626 . . . . 72.150000000000006 112.111 178.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.24 -174.12 3.66 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.291 -0.263 . . . . 70.209999999999994 110.291 178.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.549 HD13 ' HB3' ' A' ' 56' ' ' LEU . 73.8 mt -128.31 152.08 77.45 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 109.809 -0.441 . . . . 73.409999999999997 109.809 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.461 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 30.3 Cg_endo -64.88 136.48 49.09 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.365 2.043 . . . . 74.209999999999994 111.464 174.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.56 -24.73 66.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.962 0.411 . . . . 75.120000000000005 111.69 -179.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.539 ' HB3' ' HB2' ' A' ' 28' ' ' ASP . 18.8 m120 -83.68 53.51 2.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.362 -0.381 . . . . 74.129999999999995 111.547 -177.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 23' ' ' PRO . 79.9 mt -74.14 -20.43 60.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.351 -0.386 . . . . 74.400000000000006 111.666 -178.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -88.77 -27.5 21.1 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.406 -0.518 . . . . 63.340000000000003 110.104 178.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.539 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 11.6 m-20 -69.72 -25.44 63.85 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.486 -0.561 . . . . 74.230000000000004 109.486 173.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 86.8 mmm -69.19 141.75 54.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.472 -0.785 . . . . 71.099999999999994 109.932 172.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.512 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 73.7 mttt -76.95 167.49 21.74 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.159 -0.473 . . . . 65.319999999999993 110.332 -177.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.6 t -62.8 -47.62 92.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.932 0.396 . . . . 74.310000000000002 110.545 -178.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.36 -35.7 81.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.899 -0.591 . . . . 62.450000000000003 111.079 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.512 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 5.0 mm-40 -69.13 -38.01 78.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.019 -0.537 . . . . 62.420000000000002 110.601 -178.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.7 mt -63.61 -41.46 98.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.154 0.502 . . . . 75.030000000000001 110.069 175.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.55 ' HA ' HD11 ' A' ' 38' ' ' LEU . 99.4 mttt -68.6 -22.29 64.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.723 -0.672 . . . . 75.430000000000007 111.398 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -68.72 -40.03 80.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.836 0.351 . . . . 65.329999999999998 110.279 175.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -74.13 -36.54 64.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.293 -0.412 . . . . 64.099999999999994 110.096 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.55 HD11 ' HA ' ' A' ' 35' ' ' LYS . 91.5 mt -58.7 -54.26 49.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.799 -0.637 . . . . 71.340000000000003 111.202 178.632 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.487 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 12.5 ptpt -60.16 -33.91 72.84 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.746 0.308 . . . . 73.120000000000005 111.743 -176.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.9 mt -77.05 -24.52 51.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.593 -0.276 . . . . 70.439999999999998 111.392 -176.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -108.4 22.97 15.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.598 -0.274 . . . . 71.239999999999995 111.298 -176.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.9 m 64.28 33.27 11.68 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.026 -0.534 . . . . 72.530000000000001 111.716 175.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.42 ' HB3' HD23 ' A' ' 38' ' ' LEU . 46.1 mt -109.92 142.58 26.16 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.113 -0.494 . . . . 73.150000000000006 110.663 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.403 ' HD2' ' HD3' ' A' ' 55' ' ' ARG . 17.1 Cg_exo -68.02 152.49 76.66 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.004 2.469 . . . . 73.120000000000005 111.93 177.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.532 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 35.3 m -106.93 2.21 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.083 -0.508 . . . . 72.439999999999998 111.48 -175.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.8 t -83.64 146.09 28.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.32 -0.4 . . . . 74.030000000000001 110.699 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.1 175.42 14.38 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 116.057 -0.519 . . . . 60.240000000000002 111.807 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.56 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 26.9 p -81.27 167.92 19.03 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.169 -0.308 . . . . 71.420000000000002 110.169 176.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.471 ' O ' HG13 ' A' ' 53' ' ' ILE . 64.5 tttm -58.05 -43.86 87.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.749 0.309 . . . . 73.319999999999993 110.656 -178.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.7 m -58.41 -45.02 89.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 74.120000000000005 110.906 179.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -65.57 -40.14 92.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 74.400000000000006 111.1 -178.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.56 ' HG ' ' O ' ' A' ' 48' ' ' THR . 81.0 mt -60.09 -42.6 94.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.932 0.396 . . . . 71.549999999999997 110.05 177.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 49' ' ' LYS . 87.4 mt -61.71 -50.08 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.64 -0.709 . . . . 74.129999999999995 110.757 178.205 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.419 ' HA ' ' HD3' ' A' ' 57' ' ' ARG . 42.6 mt-10 -70.18 -30.33 67.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.337 -0.392 . . . . 65.230000000000004 111.478 -177.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.403 ' HD3' ' HD2' ' A' ' 44' ' ' PRO . 48.6 ttm-85 -61.6 -46.36 90.17 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.423 -0.584 . . . . 73.120000000000005 109.423 175.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.549 ' HB3' HD13 ' A' ' 22' ' ' LEU . 68.4 mt -58.49 -48.77 79.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.756 -0.656 . . . . 75.200000000000003 110.732 175.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.419 ' HD3' ' HA ' ' A' ' 54' ' ' GLU . 79.1 mtp180 -55.84 -51.8 66.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.724 -0.671 . . . . 74.319999999999993 111.293 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.93 -44.16 93.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.961 -0.563 . . . . 73.25 111.409 -177.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.455 ' O ' HG12 ' A' ' 63' ' ' ILE . 86.5 t80 -65.72 -43.04 90.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.394 -0.366 . . . . 75.519999999999996 111.269 -177.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.529 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 23.4 tm0? -68.46 -37.87 80.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.832 0.349 . . . . 75.019999999999996 110.722 -178.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -68.16 -29.05 67.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.462 -0.336 . . . . 65.109999999999999 110.887 -175.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -89.89 -0.36 57.52 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.686 0.279 . . . . 73.439999999999998 111.209 178.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.455 HG12 ' O ' ' A' ' 59' ' ' TYR . 39.2 mm -64.63 -36.99 78.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 N-CA-C 109.18 -0.674 . . . . 72.049999999999997 109.18 173.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.2 m -96.74 121.0 60.79 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.302 -0.863 . . . . 72.120000000000005 110.13 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -61.45 111.89 1.27 Allowed 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.559 2.173 . . . . 63.43 111.281 177.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.465 HG21 ' HB3' ' A' ' 69' ' ' ALA . 15.3 m -64.1 146.16 97.62 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.129 -0.487 . . . . 73.310000000000002 111.077 -178.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.79 -64.51 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.125 2.55 . . . . 73.420000000000002 112.92 -177.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -143.39 66.8 0.45 Allowed Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.515 -0.85 . . . . 65.239999999999995 111.99 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.465 ' HB3' HG21 ' A' ' 66' ' ' VAL . . . -140.87 145.48 39.81 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 110.295 -0.261 . . . . 74.439999999999998 110.295 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 69' ' ' ALA . 5.2 Cg_exo -79.54 137.01 12.71 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.971 2.448 . . . . 74.129999999999995 111.93 177.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.502 ' HB2' ' HZ2' ' A' ' 71' ' ' LYS . 4.6 ttmp? -87.19 63.81 8.02 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.21 0.529 . . . . 72.319999999999993 109.788 178.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -151.7 81.13 5.98 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.872 -0.604 . . . . 64.200000000000003 110.884 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -83.5 -168.48 0.57 Allowed 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.998 2.465 . . . . 74.140000000000001 112.023 178.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 60.63 80.23 0.22 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.663 -0.699 . . . . 74.430000000000007 111.291 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.765 -0.636 . . . . 75.400000000000006 110.028 177.793 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtm . . . . . 0 N--CA 1.478 0.933 0 CA-C-O 120.599 0.238 . . . . 73.319999999999993 110.372 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.93 134.81 14.05 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.772 -0.728 . . . . 42.130000000000003 111.553 176.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -72.31 -31.67 65.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.839 0.352 . . . . 72.230000000000004 110.981 -176.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -71.89 -10.79 60.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.222 -0.445 . . . . 72.450000000000003 110.995 179.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -82.67 87.25 6.74 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.214 -0.662 . . . . 71.010000000000005 109.214 175.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -137.33 119.63 15.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.94 -0.573 . . . . 65.510000000000005 110.159 -178.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -76.11 126.81 31.69 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.921 -0.581 . . . . 73.219999999999999 110.014 177.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 48.5 p-80 -102.76 127.94 49.7 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.491 -0.559 . . . . 74.450000000000003 109.491 177.036 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.6 m -104.34 -31.13 9.69 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.236 -0.438 . . . . 71.319999999999993 110.963 -177.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -134.49 174.91 10.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.471 -0.331 . . . . 73.349999999999994 111.073 -178.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 16.8 tmm? -91.02 125.72 35.9 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.862 -0.608 . . . . 73.219999999999999 109.999 -177.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.0 m -115.64 -57.24 2.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.241 -0.436 . . . . 74.230000000000004 111.24 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.421 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 15.2 p -138.84 138.43 21.47 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.609 -0.269 . . . . 75.5 110.791 -179.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 13.0 Cg_exo -70.51 105.22 1.57 Allowed 'Trans proline' 0 N--CA 1.464 -0.21 0 C-N-CA 122.661 2.241 . . . . 75.439999999999998 111.037 173.269 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -92.02 -59.74 2.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.058 0.456 . . . . 75.430000000000007 109.782 -175.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.4 p -88.82 90.02 8.23 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.991 -0.55 . . . . 74.409999999999997 110.638 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.77 43.69 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.776 -0.647 . . . . 70.239999999999995 111.781 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -97.65 117.73 64.98 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 120.763 0.316 . . . . 64.230000000000004 110.838 -178.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.89 126.53 9.46 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 123.008 2.472 . . . . 63.439999999999998 111.693 176.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.69 -13.48 22.03 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.903 -0.665 . . . . 75.209999999999994 111.693 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.49 -176.04 3.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.708 0.29 . . . . 64.530000000000001 110.929 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.551 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 67.8 mt -112.64 160.44 30.53 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.106 -0.497 . . . . 74.450000000000003 110.28 -178.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -71.54 150.27 57.1 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.399 2.066 . . . . 75.239999999999995 110.91 168.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.72 13.85 9.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.878 0.37 . . . . 54.229999999999997 111.528 -175.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.404 ' HB3' ' HB3' ' A' ' 28' ' ' ASP . 14.9 m120 -124.19 42.37 3.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.289 -0.414 . . . . 74.540000000000006 110.528 -176.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.9 mt -58.63 -35.29 72.25 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.383 0.512 . . . . 75.109999999999999 112.383 -175.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -82.31 -18.94 40.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.002 0.429 . . . . 62.100000000000001 110.923 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.404 ' HB3' ' HB3' ' A' ' 25' ' ' ASN . 11.7 t70 -80.98 -14.42 57.97 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.688 0.756 . . . . 72.519999999999996 109.349 177.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.46 ' HE3' ' HB3' ' A' ' 33' ' ' GLU . 81.0 mtp -84.94 166.28 16.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.778 -1.101 . . . . 75.549999999999997 109.737 175.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.549 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 58.2 mttp -83.37 172.43 12.5 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.845 0.355 . . . . 75.120000000000005 110.557 -177.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.492 HG11 ' HE3' ' A' ' 35' ' ' LYS . 45.5 t -69.06 -38.47 78.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.075 0.464 . . . . 70.349999999999994 110.045 179.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.85 -36.8 85.12 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.755 -0.657 . . . . 73.239999999999995 110.523 177.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.549 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 56.5 mm-40 -60.25 -49.8 76.18 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.934 -0.575 . . . . 74.409999999999997 110.464 178.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.7 mt -59.95 -41.54 92.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.997 -0.547 . . . . 73.140000000000001 111.259 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.492 ' HE3' HG11 ' A' ' 31' ' ' VAL . 95.7 mttt -60.01 -41.0 91.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 72.519999999999996 110.683 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -64.03 -47.14 81.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 74.409999999999997 110.72 176.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.41 ' HA ' ' OE1' ' A' ' 37' ' ' GLU . 6.7 mm-40 -57.52 -36.05 71.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 73.120000000000005 110.962 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.447 ' CD1' HD21 ' A' ' 52' ' ' LEU . 81.6 mt -69.44 -58.67 3.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.052 -0.522 . . . . 74.329999999999998 111.469 178.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -66.76 -26.91 67.2 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.152 0.427 . . . . 74.409999999999997 112.152 -172.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.3 mt -71.72 -12.32 61.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.819 0.342 . . . . 71.099999999999994 110.702 177.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 80.1 mtt85 -122.56 22.91 9.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 74.510000000000005 110.848 -178.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.8 m 61.81 38.57 14.69 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.735 -0.666 . . . . 71.140000000000001 111.72 176.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.432 HD22 ' HB2' ' A' ' 59' ' ' TYR . 43.6 mt -111.78 145.63 33.08 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.168 -0.469 . . . . 74.540000000000006 110.993 178.405 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.3 142.2 49.31 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.785 2.323 . . . . 74.109999999999999 111.914 176.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.1 m -101.81 9.7 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.252 -0.431 . . . . 75.120000000000005 111.199 -176.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.0 m -81.7 108.26 15.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.194 -0.457 . . . . 73.439999999999998 110.944 -179.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 165.91 -172.53 41.34 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.831 -0.7 . . . . 55.119999999999997 112.453 178.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.667 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 27.9 p -97.49 -176.55 3.53 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.171 -0.307 . . . . 73.400000000000006 110.171 176.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.44 ' O ' HG13 ' A' ' 53' ' ' ILE . 23.5 tptm -54.6 -46.96 73.9 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.97 0.414 . . . . 72.120000000000005 110.335 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.8 m -70.29 -40.81 74.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.825 -0.625 . . . . 71.329999999999998 111.431 -177.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -59.61 -43.06 93.89 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.61 -0.268 . . . . 75.329999999999998 111.091 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.667 ' HG ' ' O ' ' A' ' 48' ' ' THR . 52.1 mt -65.4 -41.68 93.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 63.329999999999998 110.866 -177.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 49' ' ' LYS . 89.1 mt -60.17 -53.51 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.062 -0.517 . . . . 73.409999999999997 110.764 179.08 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.457 ' OE1' ' HD3' ' A' ' 57' ' ' ARG . 6.8 mm-40 -68.36 -28.42 67.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.752 -0.658 . . . . 71.040000000000006 111.335 -176.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.407 ' NE ' ' HA ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -61.55 -43.94 97.95 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.122 0.487 . . . . 70.540000000000006 109.968 177.667 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.446 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . 65.6 mt -61.73 -46.42 89.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.539 -0.755 . . . . 73.25 110.874 177.585 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.457 ' HD3' ' OE1' ' A' ' 54' ' ' GLU . 69.7 mtp180 -68.34 -31.75 71.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.706 -0.679 . . . . 74.439999999999998 111.213 -175.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.11 -40.8 74.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.847 0.356 . . . . 62.149999999999999 110.783 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.535 ' O ' HG13 ' A' ' 63' ' ' ILE . 54.6 t80 -69.91 -51.06 36.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.066 -0.516 . . . . 73.019999999999996 111.021 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.551 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 10.7 mm100 -57.92 -34.55 69.98 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.374 0.509 . . . . 74.219999999999999 112.374 -176.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -68.18 -44.81 75.06 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.816 0.341 . . . . 73.349999999999994 111.279 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -79.51 -3.14 45.42 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.956 0.354 . . . . 73.299999999999997 111.956 -174.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 59' ' ' TYR . 70.1 mt -69.02 -29.9 44.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.286 0.565 . . . . 74.209999999999994 109.544 173.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.437 ' N ' ' HD3' ' A' ' 65' ' ' PRO . 25.0 m 59.83 63.92 3.04 Favored Pre-proline 0 C--O 1.235 0.33 0 CA-C-N 114.996 -1.002 . . . . 64.120000000000005 111.353 -177.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.437 ' HD3' ' N ' ' A' ' 64' ' ' SER . 97.1 Cg_endo -95.67 -149.54 0.03 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 123.396 2.731 . . . . 71.150000000000006 110.434 176.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.441 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 8.0 m -92.63 105.65 15.42 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 121.07 0.462 . . . . 73.109999999999999 110.078 172.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 66' ' ' VAL . 5.3 Cg_exo -78.09 -74.07 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 123.083 2.522 . . . . 74.340000000000003 112.072 -175.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -96.21 58.2 1.43 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.956 -0.64 . . . . 74.349999999999994 111.645 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.423 ' HB3' ' HB ' ' A' ' 66' ' ' VAL . . . -152.68 106.27 2.71 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 110.286 -0.264 . . . . 65.510000000000005 110.286 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -75.94 177.92 8.11 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.698 2.265 . . . . 73.109999999999999 112.099 179.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -75.14 116.11 15.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.241 -0.436 . . . . 73.450000000000003 110.229 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.41 96.77 41.09 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 120.706 0.288 . . . . 72.519999999999996 110.95 -179.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -84.2 81.34 2.12 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 123.097 2.531 . . . . 74.430000000000007 111.863 177.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -158.84 163.99 36.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.082 -0.508 . . . . 75.400000000000006 110.573 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.363 -0.827 . . . . 75.409999999999997 110.051 178.067 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.0 ptp . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 120.766 0.317 . . . . 70.400000000000006 111.108 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.85 -170.5 30.7 Favored Glycine 0 N--CA 1.443 -0.856 0 N-CA-C 111.012 -0.835 . . . . 55.119999999999997 111.012 -174.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 70.0 m80 -139.49 -174.26 3.84 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.949 -0.389 . . . . 74.310000000000002 109.949 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -76.56 107.93 9.19 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.981 -0.378 . . . . 72.349999999999994 109.981 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -82.68 -26.05 32.45 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.845 -0.616 . . . . 73.230000000000004 109.35 177.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -107.09 137.92 44.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.32 -0.854 . . . . 73.200000000000003 110.338 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -60.47 127.65 32.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.857 -0.61 . . . . 73.109999999999999 110.197 176.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -69.58 128.88 38.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.998 0.428 . . . . 73.25 110.287 -178.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.3 m -70.56 127.5 32.92 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.862 -0.608 . . . . 70.219999999999999 111.449 -175.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -105.64 103.63 13.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.776 -0.647 . . . . 73.109999999999999 110.256 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 53.8 ttp -139.66 91.22 2.46 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.025 -0.534 . . . . 65.219999999999999 109.843 177.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.1 t -126.43 82.33 2.07 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.406 -0.59 . . . . 64.5 109.406 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.7 p -145.88 159.64 46.2 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.83 -0.623 . . . . 74.430000000000007 110.666 -175.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.58 115.05 2.52 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.402 2.068 . . . . 73.420000000000002 111.224 172.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.5 tt -80.67 107.42 13.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.12 -0.491 . . . . 74.340000000000003 109.748 -178.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.3 p -119.87 111.99 18.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.832 -0.622 . . . . 72.219999999999999 111.295 -178.156 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -106.32 91.79 0.75 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.849 -0.691 . . . . 61.520000000000003 111.933 178.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.6 ttpm? -106.12 114.26 62.67 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.539 0.209 . . . . 74.329999999999998 110.74 -179.231 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 4.8 Cg_exo -77.81 116.23 3.97 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.918 2.412 . . . . 70.340000000000003 112.153 179.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.34 65.75 3.07 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.58 -0.819 . . . . 64.109999999999999 111.59 177.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.53 ' HA ' ' NE2' ' A' ' 60' ' ' GLN . . . -147.45 -168.92 3.19 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.701 0.286 . . . . 70.319999999999993 110.907 -177.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.5 mt -111.46 154.35 43.82 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.098 -0.501 . . . . 72.109999999999999 110.488 178.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.15 169.8 21.61 Favored 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 122.372 2.048 . . . . 64.200000000000003 111.332 172.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.21 -17.46 29.03 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.898 0.38 . . . . 75.230000000000004 111.096 -177.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.463 ' HB3' ' HB3' ' A' ' 28' ' ' ASP . 3.2 m-20 -90.93 33.46 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.132 -0.486 . . . . 73.329999999999998 111.645 -173.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.5 mt -59.03 -36.54 75.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.841 0.353 . . . . 70.239999999999995 111.766 -177.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -84.83 -15.93 43.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.809 0.338 . . . . 74.549999999999997 110.922 -177.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.463 ' HB3' ' HB3' ' A' ' 25' ' ' ASN . 13.5 t70 -84.14 -35.75 23.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.965 -0.561 . . . . 73.109999999999999 110.307 178.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.418 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 81.9 mtp -62.42 157.46 19.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.434 -0.803 . . . . 75.129999999999995 110.906 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.512 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 38.6 mttp -72.49 178.73 3.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.137 0.494 . . . . 72.329999999999998 110.757 179.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.0 t -70.17 -44.54 77.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.802 -0.635 . . . . 74.030000000000001 109.599 176.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.565 ' O ' ' HG2' ' A' ' 36' ' ' GLN . . . -64.07 -34.65 78.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.866 -0.606 . . . . 73.319999999999993 110.974 178.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.512 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 69.6 mm-40 -61.88 -41.66 98.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.867 0.365 . . . . 62.200000000000003 110.707 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.3 mt -67.35 -38.57 85.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 63.149999999999999 110.173 178.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.594 ' HE2' ' O ' ' A' ' 45' ' ' VAL . 97.8 mttt -63.06 -30.34 71.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.844 -0.616 . . . . 74.230000000000004 110.972 177.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.565 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 17.8 mm100 -60.89 -48.05 83.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.359 -0.382 . . . . 75.439999999999998 110.112 177.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -62.96 -43.5 98.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 65.450000000000003 110.548 178.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.519 HD13 ' HA ' ' A' ' 35' ' ' LYS . 89.3 mt -57.12 -57.07 14.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.658 -0.701 . . . . 73.150000000000006 111.476 -179.281 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -65.3 -32.87 74.75 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.622 0.23 . . . . 74.340000000000003 111.622 -174.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 36' ' ' GLN . 85.6 mt -71.93 -28.34 63.41 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.625 0.25 . . . . 74.099999999999994 111.156 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -103.84 14.27 31.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.604 -0.271 . . . . 72.040000000000006 110.82 -178.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.1 m 63.56 73.07 0.46 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.32 0.581 . . . . 70.340000000000003 111.429 179.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.448 HD12 HD21 ' A' ' 38' ' ' LEU . 22.5 mt -143.05 156.61 61.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.59 -0.732 . . . . 74.209999999999994 110.197 -178.388 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -66.57 128.8 19.81 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.575 2.183 . . . . 71.420000000000002 111.69 175.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.594 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 29.0 m -99.47 -7.22 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.439 -0.346 . . . . 62.439999999999998 111.316 -175.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.3 t -76.57 129.62 36.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.806 0.336 . . . . 73.120000000000005 110.261 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 150.95 -163.94 29.86 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.873 -0.679 . . . . 60.539999999999999 112.41 178.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.653 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 19.5 p -115.45 174.98 5.72 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 122.2 0.2 . . . . 73.129999999999995 110.519 179.694 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.52 ' HE2' HD13 ' A' ' 53' ' ' ILE . 24.1 tptm -48.66 -56.36 8.71 Favored 'General case' 0 C--N 1.331 -0.237 0 O-C-N 123.459 0.474 . . . . 72.239999999999995 111.242 178.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.9 m -62.73 -38.5 90.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.194 -0.457 . . . . 72.230000000000004 111.373 -177.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.55 -47.18 86.56 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.353 -0.385 . . . . 50.310000000000002 110.714 178.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.653 ' HG ' ' O ' ' A' ' 48' ' ' THR . 34.2 mt -69.22 -38.35 78.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.958 -0.564 . . . . 74.439999999999998 111.31 -175.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.52 HD13 ' HE2' ' A' ' 49' ' ' LYS . 81.9 mt -57.76 -52.77 53.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.859 0.361 . . . . 75.439999999999998 110.735 179.002 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -63.63 -36.73 84.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.936 -0.574 . . . . 71.519999999999996 110.835 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 45.9 ttm-85 -65.51 -40.5 93.06 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.032 -0.531 . . . . 75.540000000000006 110.907 -178.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.44 -41.96 96.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.762 0.315 . . . . 54.140000000000001 110.658 176.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 83.5 mtp180 -59.96 -46.5 89.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.51 . . . . 72.230000000000004 110.636 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.87 -41.28 95.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 74.209999999999994 110.829 179.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.535 ' O ' HG12 ' A' ' 63' ' ' ILE . 34.7 t80 -61.78 -51.59 67.69 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.835 -0.62 . . . . 74.430000000000007 111.528 -179.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.53 ' NE2' ' HA ' ' A' ' 21' ' ' ALA . 58.4 tp60 -65.64 -30.74 71.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.999 0.428 . . . . 72.439999999999998 111.055 -176.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -71.54 -43.64 66.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.352 -0.386 . . . . 52.119999999999997 111.106 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' A' ' 59' ' ' TYR . 13.6 pt20 -68.74 -20.36 64.37 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.783 0.325 . . . . 73.010000000000005 110.507 -179.174 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.535 HG12 ' O ' ' A' ' 59' ' ' TYR . 44.1 mm -63.36 -55.05 25.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 109.201 -0.666 . . . . 70.140000000000001 109.201 170.276 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.4 m 67.03 162.35 0.13 Allowed Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 115.142 -0.935 . . . . 74.209999999999994 111.672 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -66.75 108.27 1.42 Allowed 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 122.179 1.919 . . . . 64.319999999999993 110.557 171.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.512 ' HB ' ' HD3' ' A' ' 70' ' ' PRO . 8.4 m -60.91 117.05 21.79 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.879 0.371 . . . . 63.43 111.188 -178.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 66' ' ' VAL . 22.3 Cg_exo -63.46 101.56 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.998 2.465 . . . . 74.120000000000005 112.061 -174.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.9 -8.3 37.64 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.744 -0.662 . . . . 37.170000000000002 112.62 -178.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 65.68 123.01 0.02 OUTLIER Pre-proline 0 N--CA 1.464 0.255 0 C-N-CA 123.356 0.662 . . . . 72.420000000000002 111.068 -174.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.512 ' HD3' ' HB ' ' A' ' 66' ' ' VAL . 53.2 Cg_exo -51.66 117.03 3.12 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.678 2.252 . . . . 75.310000000000002 111.567 178.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.733 ' HZ2' ' HB3' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -97.79 86.27 3.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.422 0.63 . . . . 75.239999999999995 111.146 -174.351 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.418 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . . . -97.68 103.92 18.8 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.233 -0.894 . . . . 74.420000000000002 109.599 175.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 72' ' ' ALA . 2.1 Cg_endo -81.15 -179.46 5.06 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 123.253 2.636 . . . . 72.510000000000005 112.052 -177.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -110.76 21.94 15.95 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.469 0.652 . . . . 74.430000000000007 109.964 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-N 115.191 -0.913 . . . . 70.439999999999998 110.037 179.838 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 110.057 -0.349 . . . . 74.420000000000002 110.057 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 143.67 -163.23 27.63 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.935 -0.65 . . . . 61.210000000000001 111.943 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -147.79 111.32 4.98 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.156 0.503 . . . . 73.299999999999997 110.27 177.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -113.17 134.88 54.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.856 -0.611 . . . . 72.239999999999995 110.117 -175.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -69.08 130.89 44.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.1 0.476 . . . . 73.109999999999999 110.879 177.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 67.6 m80 -114.55 -15.1 12.05 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.865 -0.791 . . . . 62.340000000000003 108.865 173.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -126.26 146.04 50.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.852 -1.067 . . . . 70.140000000000001 108.659 174.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.6 p80 -84.62 132.24 34.51 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.447 -0.501 . . . . 71.230000000000004 110.502 -177.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 t -97.09 -30.12 13.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.595 -0.73 . . . . 60.229999999999997 109.111 -179.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -74.22 128.92 36.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.506 -0.77 . . . . 70.209999999999994 109.02 173.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.3 ttt 60.79 88.05 0.09 Allowed 'General case' 0 N--CA 1.463 0.195 0 O-C-N 123.69 0.619 . . . . 73.540000000000006 110.765 -177.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.5 t -161.6 -170.48 2.61 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.427 -0.583 . . . . 75.120000000000005 109.427 -178.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 6.2 p -94.67 111.04 52.61 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-O 120.706 0.289 . . . . 71.400000000000006 110.379 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 38.8 Cg_exo -59.97 126.92 21.63 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 123.009 2.472 . . . . 74.319999999999993 112.809 -175.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.482 HD13 ' HE3' ' A' ' 18' ' ' LYS . 45.8 tp -92.86 -5.42 51.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.485 0.66 . . . . 53.539999999999999 109.727 177.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.3 m -86.41 101.79 13.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.371 -0.831 . . . . 71.120000000000005 110.791 -178.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 18' ' ' LYS . . . 103.83 -84.89 0.46 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.496 -0.859 . . . . 60.149999999999999 112.7 176.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.482 ' HE3' HD13 ' A' ' 15' ' ' LEU . 86.1 mttt 69.48 145.77 0.11 Allowed Pre-proline 0 N--CA 1.468 0.442 0 C-N-CA 123.414 0.686 . . . . 75.430000000000007 112.227 -178.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.6 113.56 2.99 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.67 2.247 . . . . 52.119999999999997 111.22 173.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.42 82.64 1.03 Allowed Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 116.016 -0.538 . . . . 74.200000000000003 112.312 -178.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.11 136.49 52.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.904 0.383 . . . . 71.120000000000005 110.707 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.546 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 82.1 mt -94.38 150.79 38.75 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.975 -0.557 . . . . 73.109999999999999 109.904 178.151 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.472 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 37.8 Cg_endo -68.64 126.93 14.72 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.865 1.71 . . . . 73.099999999999994 110.608 173.065 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.59 -23.9 63.32 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.91 0.386 . . . . 62.310000000000002 111.618 -176.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.448 ' HB3' ' HB2' ' A' ' 28' ' ' ASP . 16.4 m120 -84.24 45.45 1.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.948 -0.569 . . . . 75.140000000000001 111.62 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.526 ' HB2' HG21 ' A' ' 53' ' ' ILE . 95.4 mt -64.21 -25.63 68.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.433 0.635 . . . . 70.349999999999994 110.192 176.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -75.71 -25.34 56.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.57 -0.741 . . . . 73.140000000000001 110.548 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.448 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 4.7 m-20 -83.96 -7.57 59.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.178 0.513 . . . . 74.140000000000001 110.303 177.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 86.6 mtp -92.01 172.66 8.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.708 -0.678 . . . . 73.409999999999997 110.159 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.539 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 15.0 mtpp -93.48 155.46 17.33 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.399 -0.364 . . . . 70.420000000000002 110.517 -177.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.8 t -58.12 -44.24 87.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 74.230000000000004 111.163 -178.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.38 -36.35 83.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.439 -0.346 . . . . 74.420000000000002 111.046 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.539 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 7.4 mm-40 -65.63 -39.99 92.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 61.020000000000003 110.497 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.8 mt -64.32 -43.27 95.19 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.716 -0.674 . . . . 72.310000000000002 109.86 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.544 ' HA ' HD12 ' A' ' 38' ' ' LEU . 92.0 mttt -66.01 -23.09 66.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.55 -0.75 . . . . 74.510000000000005 111.71 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.407 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 10.0 mm100 -60.37 -57.33 13.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.484 0.183 . . . . 73.430000000000007 110.537 176.063 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -66.28 -28.85 69.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.387 -0.369 . . . . 64.540000000000006 110.591 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.544 HD12 ' HA ' ' A' ' 35' ' ' LYS . 75.7 mt -64.47 -59.42 4.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.025 -0.534 . . . . 74.310000000000002 110.945 175.364 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -63.23 -32.47 73.89 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.663 -0.244 . . . . 73.239999999999995 111.479 -174.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 36' ' ' GLN . 89.5 mt -66.16 -30.81 71.36 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.846 0.355 . . . . 75.299999999999997 110.872 178.418 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 81.9 mtt-85 -100.42 11.13 40.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.356 -0.384 . . . . 75.450000000000003 110.541 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.3 m 62.02 26.19 15.78 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.386 0.612 . . . . 74.230000000000004 111.321 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.454 HD12 HD22 ' A' ' 38' ' ' LEU . 30.2 mt -79.09 155.04 77.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.543 -0.753 . . . . 73.540000000000006 110.566 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -69.98 112.86 3.23 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.612 2.208 . . . . 73.030000000000001 112.213 178.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.1 m -85.25 -3.64 8.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.981 -0.554 . . . . 75.329999999999998 110.173 176.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.0 m -70.75 135.59 48.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.434 -0.803 . . . . 73.299999999999997 110.772 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.5 -170.58 15.25 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.647 -0.787 . . . . 63.310000000000002 111.941 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.522 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 65.2 p -94.23 169.39 10.27 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.617 0.246 . . . . 62.119999999999997 110.963 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.431 ' O ' HG13 ' A' ' 53' ' ' ILE . 87.2 tttt -54.81 -41.79 71.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.003 -0.544 . . . . 71.420000000000002 110.935 178.058 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.8 m -57.94 -40.92 81.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.089 0.471 . . . . 75.319999999999993 110.782 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.8 -46.21 72.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.949 -0.569 . . . . 54.509999999999998 111.015 178.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 48' ' ' THR . 58.5 mt -58.46 -42.01 86.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.0 -0.545 . . . . 62.409999999999997 111.106 -176.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.526 HG21 ' HB2' ' A' ' 26' ' ' LEU . 84.4 mt -61.01 -53.98 41.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.072 -0.513 . . . . 73.319999999999993 110.81 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -67.04 -34.06 76.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.95 -0.568 . . . . 75.239999999999995 111.308 -177.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -63.41 -46.87 84.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.863 0.363 . . . . 75.439999999999998 110.359 178.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.493 ' HB3' HD13 ' A' ' 22' ' ' LEU . 40.6 mt -59.65 -45.05 93.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.988 -0.551 . . . . 74.129999999999995 110.511 175.596 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -60.67 -51.17 70.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.99 -0.55 . . . . 72.519999999999996 111.586 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.25 -31.72 71.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.988 0.423 . . . . 74.319999999999993 111.452 -178.128 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.465 ' O ' HG13 ' A' ' 63' ' ' ILE . 86.2 t80 -76.14 -46.39 28.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.158 -0.474 . . . . 75.549999999999997 110.741 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.546 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 1.1 tm0? -72.58 -34.99 67.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.741 -0.209 . . . . 72.109999999999999 111.248 -176.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -60.46 -39.12 86.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.359 -0.382 . . . . 64.140000000000001 111.148 -177.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -79.7 -13.43 59.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.397 -0.365 . . . . 64.519999999999996 111.198 -178.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 60' ' ' GLN . 79.8 mt -70.69 -32.75 50.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 109.327 -0.619 . . . . 74.219999999999999 109.327 174.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.2 t -72.97 141.56 81.82 Favored Pre-proline 0 N--CA 1.449 -0.512 0 N-CA-C 108.628 -0.879 . . . . 64.420000000000002 108.628 174.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.97 106.62 0.19 Allowed 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 122.427 2.085 . . . . 75.409999999999997 112.069 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 22.5 m -83.61 126.82 70.17 Favored Pre-proline 0 N--CA 1.452 -0.364 0 CA-C-O 121.013 0.435 . . . . 72.109999999999999 110.363 178.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 66' ' ' VAL . 94.4 Cg_endo -95.3 16.3 0.94 Allowed 'Trans proline' 0 N--CA 1.451 -1.008 0 C-N-CA 123.192 2.595 . . . . 73.530000000000001 112.612 -178.477 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -148.21 -58.45 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.843 -0.694 . . . . 64.409999999999997 112.403 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 71.63 110.27 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.427 0 C-N-CA 123.345 0.658 . . . . 71.25 111.658 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -72.02 157.86 53.61 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.596 2.197 . . . . 73.420000000000002 112.221 178.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -90.62 158.98 16.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.095 0.474 . . . . 74.329999999999998 111.023 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.404 ' HB2' ' HD2' ' A' ' 73' ' ' PRO . . . -142.46 161.19 51.24 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.587 -0.733 . . . . 45.520000000000003 110.048 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.404 ' HD2' ' HB2' ' A' ' 72' ' ' ALA . 44.6 Cg_endo -68.93 136.09 34.26 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.337 2.025 . . . . 72.340000000000003 112.036 175.268 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.8 -85.93 0.41 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.557 -0.292 . . . . 42.43 110.607 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.465 -0.779 . . . . 44.439999999999998 110.028 179.803 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.4 ptt? . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 121.675 0.75 . . . . 70.540000000000006 110.693 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -135.02 -124.4 2.43 Favored Glycine 0 N--CA 1.44 -1.075 0 CA-C-N 115.6 -0.727 . . . . 62.32 111.51 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.5 m170 60.73 26.89 16.66 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.504 0.668 . . . . 71.430000000000007 109.604 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -89.15 14.06 11.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.104 -0.953 . . . . 64.310000000000002 110.39 -173.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -63.56 134.31 55.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.733 -0.667 . . . . 73.420000000000002 109.948 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -62.84 109.05 1.32 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.13 -0.486 . . . . 75.209999999999994 111.53 -175.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -73.83 -20.58 60.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.626 -0.716 . . . . 74.409999999999997 110.417 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -131.81 163.11 28.96 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.287 -0.634 . . . . 75.150000000000006 109.287 175.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.7 t -80.78 128.01 33.17 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.508 -0.553 . . . . 70.310000000000002 109.508 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -64.9 -22.08 66.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.139 -0.482 . . . . 74.420000000000002 110.773 -177.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 53.1 ttm -105.12 89.34 3.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.282 0.563 . . . . 62.539999999999999 109.961 175.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 p -141.78 149.05 39.92 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.601 -0.727 . . . . 62.310000000000002 109.942 178.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.05 106.79 30.96 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 111.885 0.328 . . . . 64.430000000000007 111.885 -175.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -81.04 107.59 1.93 Allowed 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 123.072 2.515 . . . . 71.010000000000005 111.351 174.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.607 HD11 ' HA ' ' A' ' 19' ' ' PRO . 45.8 tp -153.64 115.61 4.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.432 -0.349 . . . . 71.329999999999998 110.144 -179.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.561 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 35.3 m -99.17 106.62 18.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.034 0.445 . . . . 70.310000000000002 111.217 -179.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.38 -83.95 1.47 Allowed Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.97 -0.559 . . . . 60.240000000000002 113.402 175.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -128.98 146.02 58.97 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 120.402 0.144 . . . . 65.219999999999999 110.984 -172.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.607 ' HA ' HD11 ' A' ' 15' ' ' LEU . 31.9 Cg_exo -59.96 111.94 1.14 Allowed 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.81 2.34 . . . . 74.310000000000002 111.653 176.182 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.17 -35.4 2.52 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 111.098 -0.801 . . . . 62.200000000000003 111.098 -175.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.3 156.19 35.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.834 0.349 . . . . 72.340000000000003 110.744 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.565 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 71.9 mt -85.84 131.05 48.32 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.962 -0.563 . . . . 74.340000000000003 110.983 -177.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.619 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 41.8 Cg_endo -69.2 139.88 43.33 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.222 1.948 . . . . 73.329999999999998 110.895 171.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.69 4.45 4.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.915 0.388 . . . . 64.109999999999999 111.888 -176.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -105.8 16.9 24.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.46 -0.336 . . . . 74.519999999999996 111.005 -177.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 23' ' ' PRO . 86.3 mt -53.38 -45.2 69.16 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.373 -0.376 . . . . 71.439999999999998 111.776 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -64.85 -26.83 68.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 70.219999999999999 111.433 -177.269 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -86.53 -32.17 20.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.108 -0.496 . . . . 74.0 111.538 -176.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.474 ' HE1' HD23 ' A' ' 26' ' ' LEU . 55.3 mtm -67.35 161.21 25.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.25 0.547 . . . . 74.030000000000001 111.741 -175.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.538 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 0.3 OUTLIER -81.61 162.75 22.98 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.371 -0.831 . . . . 74.510000000000005 110.381 -178.112 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.2 t -55.3 -40.73 58.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 74.200000000000003 111.045 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.49 -35.73 81.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 62.119999999999997 111.398 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.538 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 2.3 mm-40 -68.15 -41.54 81.43 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.354 -0.61 . . . . 64.129999999999995 109.354 -179.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.81 -44.24 97.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.324 -0.853 . . . . 73.329999999999998 110.62 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.549 ' HE2' ' O ' ' A' ' 45' ' ' VAL . 95.5 mttt -63.88 -29.53 70.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.05 -0.523 . . . . 75.209999999999994 110.974 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.432 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 12.1 mm100 -63.75 -41.66 97.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.481 -0.327 . . . . 74.409999999999997 110.756 176.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.55 ' HB3' ' NH1' ' A' ' 41' ' ' ARG . 27.1 mt-10 -73.96 -41.27 62.23 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.946 -0.302 . . . . 74.439999999999998 111.032 178.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.517 HD13 ' HA ' ' A' ' 35' ' ' LYS . 58.5 mt -54.07 -54.04 44.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 73.439999999999998 111.299 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -60.78 -30.75 70.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.462 -0.335 . . . . 71.439999999999998 111.406 -177.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 36' ' ' GLN . 92.6 mt -78.46 -27.07 46.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.521 -0.308 . . . . 73.200000000000003 110.955 -179.119 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.553 HH11 HD22 ' A' ' 56' ' ' LEU . 63.8 mtt180 -99.05 16.87 21.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.398 -0.365 . . . . 74.409999999999997 111.075 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.8 t 65.67 30.7 10.24 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.268 0.556 . . . . 70.409999999999997 111.012 175.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 20.9 mt -108.85 148.13 37.22 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.779 -0.646 . . . . 63.43 111.013 -178.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -62.31 141.65 88.29 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.849 2.366 . . . . 73.200000000000003 111.544 174.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.549 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 34.3 m -103.19 -19.94 5.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.204 -0.453 . . . . 72.239999999999995 111.427 -174.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.4 m -78.44 107.06 10.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.201 0.524 . . . . 73.109999999999999 111.582 -177.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 177.24 -172.89 45.77 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 111.247 -0.741 . . . . 54.409999999999997 111.247 178.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.636 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 71.7 p -90.5 159.14 16.66 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.917 -0.401 . . . . 73.519999999999996 109.917 177.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -50.21 -46.54 54.65 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 123.415 0.447 . . . . 74.430000000000007 111.637 -177.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.3 m -61.55 -50.1 74.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.604 -0.271 . . . . 75.310000000000002 111.171 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -61.54 -38.46 87.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.61 -0.268 . . . . 73.219999999999999 111.256 -177.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 48' ' ' THR . 58.1 mt -61.15 -47.06 87.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.762 0.315 . . . . 53.119999999999997 110.539 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.459 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 84.9 mt -63.04 -49.04 85.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 72.420000000000002 110.691 178.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.25 -40.3 89.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.98 -0.555 . . . . 73.439999999999998 111.611 -179.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.8 ttt85 -66.31 -36.15 82.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.404 -0.362 . . . . 75.430000000000007 110.684 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.553 HD22 HH11 ' A' ' 41' ' ' ARG . 82.0 mt -61.52 -44.05 97.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.166 0.508 . . . . 74.219999999999999 110.373 175.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 68.6 mtp180 -66.13 -42.66 88.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.687 -0.688 . . . . 72.450000000000003 110.663 -178.246 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.55 -36.15 81.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 74.040000000000006 111.112 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.545 ' O ' HG13 ' A' ' 63' ' ' ILE . 42.9 t80 -61.41 -54.69 40.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.047 -0.524 . . . . 73.439999999999998 110.624 178.135 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.565 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 10.1 mm100 -62.86 -35.77 81.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.296 -0.411 . . . . 71.420000000000002 111.901 -179.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -62.61 -43.49 98.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 63.219999999999999 111.775 -176.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -80.12 -14.43 58.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.494 -0.321 . . . . 65.310000000000002 111.55 -176.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.545 HG13 ' O ' ' A' ' 59' ' ' TYR . 65.4 mt -74.05 -59.54 3.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 110.136 -0.32 . . . . 74.439999999999998 110.136 177.373 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.7 m 66.68 161.98 0.13 Allowed Pre-proline 0 CA--C 1.536 0.412 0 O-C-N 123.849 0.718 . . . . 74.25 111.264 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.71 110.6 1.48 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.125 1.883 . . . . 71.420000000000002 111.2 174.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.439 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 13.6 m -130.63 108.57 15.8 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 121.505 0.669 . . . . 74.209999999999994 111.927 -176.26 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 66' ' ' VAL . 4.8 Cg_exo -79.03 -28.81 3.63 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 123.661 2.908 . . . . 74.340000000000003 112.105 177.124 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -110.96 -25.0 5.29 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.892 -0.671 . . . . 53.310000000000002 112.18 178.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.415 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . . . 68.72 123.08 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.355 0 C-N-CA 123.449 0.7 . . . . 74.239999999999995 111.754 177.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.84 157.88 57.08 Favored 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 122.58 2.186 . . . . 74.540000000000006 111.962 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -76.47 103.02 6.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.055 0.455 . . . . 75.239999999999995 109.787 178.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.434 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . . . -145.02 139.88 15.59 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.907 -0.588 . . . . 41.509999999999998 110.756 -176.03 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 72' ' ' ALA . 12.8 Cg_exo -71.0 -167.52 0.28 Allowed 'Trans proline' 0 CA--C 1.533 0.445 0 C-N-CA 123.076 2.518 . . . . 74.530000000000001 112.692 -179.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.76 172.28 12.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 62.43 111.104 -178.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.62 -0.705 . . . . 71.450000000000003 110.631 -179.654 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.8 mtp . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.676 0.274 . . . . 73.209999999999994 110.856 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 85.39 106.95 0.69 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.943 -0.646 . . . . 38.030000000000001 113.476 173.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -84.18 78.04 9.85 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.974 -0.75 . . . . 54.240000000000002 108.974 171.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -83.52 138.2 33.52 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.832 -0.622 . . . . 74.219999999999999 111.909 -172.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -154.24 108.67 3.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.249 -0.887 . . . . 74.030000000000001 109.471 173.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -136.68 156.32 48.69 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.079 -0.51 . . . . 74.400000000000006 110.148 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -76.19 -42.59 45.82 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.104 -0.498 . . . . 74.230000000000004 109.814 -179.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -88.08 47.42 1.5 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.256 -0.429 . . . . 72.099999999999994 111.604 179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.7 m -77.08 80.65 3.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.195 0.522 . . . . 71.219999999999999 109.726 175.027 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -71.13 167.01 20.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.435 -0.802 . . . . 72.230000000000004 111.308 -177.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 48.4 mtt -82.97 108.99 16.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.756 -0.656 . . . . 72.109999999999999 110.31 -177.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.9 m -77.46 92.13 3.97 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.323 0.582 . . . . 74.439999999999998 110.169 176.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.0 m -136.3 138.31 26.74 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.495 -0.775 . . . . 71.010000000000005 109.392 -178.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -50.06 133.2 34.6 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.828 2.352 . . . . 74.349999999999994 112.211 177.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.1 tp -111.96 123.05 49.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.376 -0.374 . . . . 74.549999999999997 110.506 -176.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 t -115.2 149.64 37.37 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.101 -0.5 . . . . 73.430000000000007 110.629 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -106.85 8.46 39.43 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 111.304 -0.718 . . . . 62.409999999999997 111.304 176.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -102.24 114.41 65.47 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 109.967 -0.382 . . . . 74.439999999999998 109.967 -179.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.434 ' HG2' ' HG2' ' A' ' 41' ' ' ARG . 18.6 Cg_endo -60.28 140.42 91.87 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.556 2.171 . . . . 65.409999999999997 111.64 176.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.42 -51.97 2.09 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.701 -0.761 . . . . 62.200000000000003 112.506 -176.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.05 167.15 15.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.047 0.451 . . . . 73.430000000000007 111.954 -174.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.5 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 97.3 mt -113.42 154.74 45.37 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.832 -0.622 . . . . 73.099999999999994 110.529 178.456 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.423 ' HG2' ' CD2' ' A' ' 26' ' ' LEU . 19.1 Cg_endo -62.22 141.16 87.0 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 121.996 1.797 . . . . 62.329999999999998 110.84 169.277 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.45 -35.71 80.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.259 -0.428 . . . . 74.310000000000002 111.552 -176.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -101.83 97.67 8.01 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.935 -0.575 . . . . 73.109999999999999 110.726 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.423 ' CD2' ' HG2' ' A' ' 23' ' ' PRO . 84.6 mt -97.09 -28.34 14.17 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.139 -0.482 . . . . 73.409999999999997 110.176 176.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -71.19 -19.64 62.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.843 -0.617 . . . . 62.210000000000001 110.587 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -86.8 -18.35 31.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.063 -0.517 . . . . 70.200000000000003 110.44 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.779 ' HE3' ' HB3' ' A' ' 33' ' ' GLU . 94.2 mmm -72.65 153.51 41.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.83 -0.623 . . . . 73.219999999999999 109.601 178.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.532 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 61.8 mttp -85.39 169.27 13.85 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 110.166 -0.309 . . . . 74.019999999999996 110.166 179.171 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.9 t -62.15 -42.16 94.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.156 0.503 . . . . 75.409999999999997 109.925 179.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.406 ' O ' ' HG2' ' A' ' 36' ' ' GLN . . . -64.74 -37.89 89.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.69 -0.686 . . . . 73.430000000000007 110.628 177.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.779 ' HB3' ' HE3' ' A' ' 29' ' ' MET . 41.5 mm-40 -66.82 -38.54 86.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.043 -0.526 . . . . 70.010000000000005 110.806 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 79.2 mt -63.56 -42.96 98.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.999 -0.546 . . . . 72.329999999999998 109.838 176.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.518 ' HA ' HD12 ' A' ' 38' ' ' LEU . 97.3 mttt -67.15 -26.22 66.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.794 -0.639 . . . . 74.310000000000002 111.152 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.406 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 15.6 mm100 -60.61 -50.5 73.26 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.967 -0.382 . . . . 73.310000000000002 109.967 174.127 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -60.74 -44.08 97.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.234 -0.439 . . . . 70.400000000000006 110.461 176.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.546 HD11 ' HA ' ' A' ' 45' ' ' VAL . 91.1 mt -58.94 -49.02 79.42 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.157 -0.474 . . . . 73.319999999999993 111.731 -177.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -69.77 -25.65 63.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.813 0.34 . . . . 75.239999999999995 111.549 -176.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.3 mt -86.78 -36.32 18.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.949 0.404 . . . . 75.239999999999995 111.73 -178.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.434 ' HG2' ' HG2' ' A' ' 19' ' ' PRO . 17.2 mtp180 -98.83 12.61 35.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.39 -0.368 . . . . 71.25 111.163 -174.069 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.6 m 64.39 72.61 0.45 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.529 0.68 . . . . 62.100000000000001 111.266 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.435 ' HB3' HD23 ' A' ' 38' ' ' LEU . 16.4 mt -146.14 143.43 19.28 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.281 -0.872 . . . . 74.109999999999999 110.187 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.489 ' HD2' ' HD3' ' A' ' 55' ' ' ARG . 27.0 Cg_exo -63.26 137.0 58.58 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.662 2.241 . . . . 71.420000000000002 112.142 177.172 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.546 ' HA ' HD11 ' A' ' 38' ' ' LEU . 33.3 m -94.43 5.63 7.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.213 -0.449 . . . . 75.319999999999993 111.058 -177.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.7 t -81.16 132.39 35.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.044 -0.525 . . . . 72.510000000000005 109.957 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 132.61 160.94 9.76 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 111.69 -0.564 . . . . 75.310000000000002 111.69 -178.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.486 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 32.1 p -78.14 170.35 16.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.561 0.181 . . . . 71.0 110.585 177.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.459 ' O ' HG13 ' A' ' 53' ' ' ILE . 87.6 tttt -48.35 -56.38 8.27 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.356 0.41 . . . . 65.450000000000003 112.001 -176.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.8 m -63.3 -33.59 75.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.589 0.233 . . . . 72.049999999999997 111.326 -177.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -69.34 -39.49 78.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.619 0.247 . . . . 63.210000000000001 110.56 178.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 48' ' ' THR . 83.3 mt -63.71 -42.73 97.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 74.420000000000002 109.898 176.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.528 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 76.9 mt -58.61 -49.13 83.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.86 -0.609 . . . . 72.319999999999993 110.533 175.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -63.4 -37.15 86.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.459 . . . . 72.239999999999995 111.388 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.489 ' HD3' ' HD2' ' A' ' 44' ' ' PRO . 45.6 ttm-85 -62.45 -40.97 98.33 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.839 -0.43 . . . . 75.319999999999993 109.839 178.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.446 ' O ' HD13 ' A' ' 22' ' ' LEU . 85.3 mt -64.32 -47.78 78.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.932 -0.576 . . . . 75.319999999999993 110.408 175.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.528 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 35.5 mtp180 -60.12 -43.1 95.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.929 -0.578 . . . . 72.219999999999999 110.999 -178.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.92 -36.59 83.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.955 0.407 . . . . 74.150000000000006 110.649 177.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.509 ' O ' HG12 ' A' ' 63' ' ' ILE . 63.8 t80 -62.28 -39.73 93.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.776 -0.647 . . . . 74.0 110.647 179.313 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.5 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -81.43 -26.54 35.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.074 0.464 . . . . 73.049999999999997 110.141 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -60.29 -46.32 90.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.513 . . . . 74.5 110.733 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -71.86 -9.06 57.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 72.450000000000003 111.302 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.509 HG12 ' O ' ' A' ' 59' ' ' TYR . 48.4 mm -85.18 -39.3 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.307 0.575 . . . . 72.310000000000002 110.094 176.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.427 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 12.7 m -104.14 134.49 19.68 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.588 -0.733 . . . . 71.010000000000005 111.884 -171.185 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 64' ' ' SER . 14.8 Cg_exo -68.85 144.08 57.66 Favored 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 122.813 2.342 . . . . 61.200000000000003 111.515 175.463 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.518 ' HB ' ' HD2' ' A' ' 67' ' ' PRO . 31.8 m -66.36 159.19 74.24 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.216 -0.447 . . . . 70.340000000000003 110.65 179.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.518 ' HD2' ' HB ' ' A' ' 66' ' ' VAL . 13.8 Cg_endo -56.86 -24.23 55.11 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.867 2.378 . . . . 75.530000000000001 113.025 -179.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -86.26 0.37 87.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.982 -0.628 . . . . 73.0 112.534 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.16 157.73 41.47 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 109.993 -0.373 . . . . 74.209999999999994 109.993 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.449 ' HB3' ' HG3' ' A' ' 73' ' ' PRO . 53.0 Cg_exo -53.09 116.25 2.81 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.579 2.186 . . . . 73.200000000000003 112.128 176.369 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -75.33 -70.95 0.39 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.863 -0.608 . . . . 75.409999999999997 110.519 -176.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -144.47 81.09 11.44 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.854 -0.612 . . . . 62.240000000000002 110.242 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.449 ' HG3' ' HB3' ' A' ' 70' ' ' PRO . 5.6 Cg_endo -87.3 12.92 2.81 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 123.126 2.551 . . . . 63.310000000000002 111.986 -179.333 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.46 106.96 17.18 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.058 -0.519 . . . . 75.129999999999995 110.635 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 N-CA-C 109.344 -0.613 . . . . 73.430000000000007 109.344 178.324 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.282 -0.266 . . . . 73.150000000000006 110.282 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.13 11.32 58.78 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 121.147 -0.549 . . . . 63.039999999999999 112.363 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.9 m80 66.33 23.87 10.65 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.089 0.471 . . . . 60.219999999999999 110.924 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -79.58 126.37 30.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.581 -0.736 . . . . 72.530000000000001 109.533 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -93.59 145.28 24.65 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.886 0.374 . . . . 74.329999999999998 110.807 -176.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -81.0 -178.12 6.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.644 -0.707 . . . . 63.329999999999998 110.967 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -114.07 134.69 54.7 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.904 -0.776 . . . . 73.319999999999993 108.904 174.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -80.06 75.02 6.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.122 0.963 . . . . 75.209999999999994 109.604 176.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.1 m -82.96 -61.85 1.75 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.882 -1.054 . . . . 65.140000000000001 111.821 -173.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -123.71 150.26 44.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.006 0.432 . . . . 75.219999999999999 111.53 -172.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 57.3 ttp -130.85 128.62 40.99 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.499 -0.773 . . . . 73.239999999999995 109.362 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.6 t -80.25 130.34 35.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.302 -0.408 . . . . 70.239999999999995 110.923 -175.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 p -119.13 144.36 35.92 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 115.87 -0.604 . . . . 62.200000000000003 110.236 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.31 118.92 5.85 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.553 2.169 . . . . 64.349999999999994 112.117 179.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.1 tt -88.51 124.93 34.48 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.425 -0.583 . . . . 72.430000000000007 109.425 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.5 p -127.64 114.61 17.59 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.073 0.463 . . . . 75.109999999999999 110.816 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 158.81 146.31 4.5 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.806 -0.711 . . . . 74.430000000000007 111.91 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.58 162.45 36.47 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 109.087 -0.708 . . . . 73.439999999999998 109.087 179.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -63.49 80.32 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.975 2.45 . . . . 72.129999999999995 113.141 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.78 7.74 4.87 Favored Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 111.046 -0.821 . . . . 37.149999999999999 111.046 174.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.79 -168.49 1.79 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.188 -0.301 . . . . 53.420000000000002 110.188 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.541 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 94.5 mt -124.95 140.05 34.95 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.431 -0.35 . . . . 71.129999999999995 110.407 177.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -64.62 148.55 90.42 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.193 1.929 . . . . 74.239999999999995 110.927 174.055 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.21 -34.3 78.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.92 0.391 . . . . 75.439999999999998 111.096 -178.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.539 ' HB3' ' HB3' ' A' ' 28' ' ' ASP . 2.9 m-20 -85.75 79.18 9.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.168 -0.469 . . . . 72.349999999999994 110.341 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.3 mt -95.66 -45.44 7.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.093 -0.503 . . . . 74.349999999999994 110.289 177.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -73.11 -24.74 60.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.855 -0.611 . . . . 73.109999999999999 110.081 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.539 ' HB3' ' HB3' ' A' ' 25' ' ' ASN . 25.2 t70 -73.71 -23.06 59.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.429 -0.805 . . . . 73.319999999999993 111.003 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.503 ' HB3' ' HB2' ' A' ' 33' ' ' GLU . 48.3 mtm -83.6 146.04 28.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.741 0.305 . . . . 72.230000000000004 110.323 179.496 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.461 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 55.5 mttp -65.31 164.08 14.22 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.935 -0.575 . . . . 74.530000000000001 111.459 178.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.3 t -56.98 -38.48 60.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.619 -0.719 . . . . 74.310000000000002 109.978 175.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.31 -43.45 98.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.171 -0.922 . . . . 72.409999999999997 111.242 178.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.503 ' HB2' ' HB3' ' A' ' 29' ' ' MET . 8.2 mm-40 -66.29 -37.63 85.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.405 . . . . 72.530000000000001 110.744 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.89 -43.51 98.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.018 -0.537 . . . . 73.120000000000005 110.26 176.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.534 ' HA ' HD12 ' A' ' 38' ' ' LEU . 98.4 mttt -65.58 -26.43 67.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.908 -0.587 . . . . 74.310000000000002 111.504 -178.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -59.36 -48.76 80.4 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.953 0.406 . . . . 74.439999999999998 110.163 175.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -67.76 -44.97 76.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.946 -0.57 . . . . 72.530000000000001 111.012 178.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 35' ' ' LYS . 80.7 mt -54.7 -53.29 56.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 73.349999999999994 111.46 -178.342 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -66.04 -27.41 68.08 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.51 -0.313 . . . . 71.299999999999997 111.621 -174.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 71.5 mt -84.8 -32.05 23.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.984 0.421 . . . . 72.510000000000005 111.43 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -105.72 35.23 2.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.309 -0.405 . . . . 74.109999999999999 111.254 -172.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.9 m 63.16 27.88 15.78 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.907 -0.588 . . . . 73.099999999999994 112.553 170.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.542 HD22 ' HB2' ' A' ' 59' ' ' TYR . 44.6 mt -111.32 144.31 30.22 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-O 121.013 0.435 . . . . 74.409999999999997 111.905 -176.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.412 ' HG2' ' HD3' ' A' ' 55' ' ' ARG . 38.1 Cg_endo -68.54 132.69 25.97 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.584 2.19 . . . . 64.319999999999993 111.831 175.078 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.521 ' HA ' HD11 ' A' ' 38' ' ' LEU . 26.8 m -89.36 7.26 3.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.044 -0.525 . . . . 75.230000000000004 111.08 -177.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.5 p -88.81 122.3 32.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.05 -0.523 . . . . 62.039999999999999 110.789 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 152.1 170.91 19.26 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.618 -0.801 . . . . 44.0 112.181 178.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.511 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 73.3 p -81.1 177.19 9.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.529 0.204 . . . . 74.209999999999994 110.559 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -54.18 -46.02 72.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.353 -0.385 . . . . 74.310000000000002 110.585 178.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.6 m -66.74 -44.09 82.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 74.409999999999997 110.996 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -58.63 -46.85 86.18 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-N 116.161 -0.472 . . . . 75.450000000000003 111.952 -178.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.511 ' HG ' ' O ' ' A' ' 48' ' ' THR . 53.4 mt -63.27 -37.95 89.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.728 0.299 . . . . 73.0 111.229 -176.564 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 77.8 mt -66.28 -44.67 91.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.948 0.404 . . . . 71.010000000000005 110.582 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -67.78 -32.24 72.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.302 -0.408 . . . . 72.109999999999999 110.355 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.412 ' HD3' ' HG2' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -61.07 -45.79 93.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.865 -0.607 . . . . 74.409999999999997 109.687 177.384 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.8 mt -60.43 -46.27 90.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.668 -0.696 . . . . 74.209999999999994 110.469 176.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -61.59 -40.97 96.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.796 -0.638 . . . . 72.329999999999998 111.325 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.42 -33.8 76.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.381 -0.372 . . . . 70.219999999999999 111.029 178.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.542 ' HB2' HD22 ' A' ' 43' ' ' LEU . 68.8 t80 -72.47 -41.99 65.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.433 -0.349 . . . . 73.420000000000002 110.525 178.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.541 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 19.0 tm0? -65.24 -34.38 78.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.106 0.479 . . . . 73.140000000000001 109.874 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -60.14 -43.51 95.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.922 -0.581 . . . . 71.430000000000007 110.756 177.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -85.87 8.13 21.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.027 -0.533 . . . . 72.209999999999994 111.774 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.485 HG12 ' O ' ' A' ' 59' ' ' TYR . 29.8 mm -73.3 -31.06 32.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.166 0.508 . . . . 62.119999999999997 110.007 174.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.2 m -109.2 100.43 40.78 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.019 -0.537 . . . . 72.430000000000007 110.629 178.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -72.15 104.91 1.74 Allowed 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.168 1.912 . . . . 73.129999999999995 111.008 175.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.424 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 25.7 m -87.47 138.7 31.83 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 116.426 -0.352 . . . . 73.209999999999994 111.139 -175.107 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 66' ' ' VAL . 25.1 Cg_exo -63.73 138.13 62.36 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.654 2.236 . . . . 72.349999999999994 110.955 173.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.423 ' H ' ' HB3' ' A' ' 74' ' ' ALA . . . 85.2 -67.01 3.73 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.604 -0.808 . . . . 72.219999999999999 111.36 -175.049 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.45 ' HB1' ' HB3' ' A' ' 72' ' ' ALA . . . 63.48 169.77 0.09 OUTLIER Pre-proline 0 N--CA 1.467 0.381 0 C-N-CA 123.004 0.521 . . . . 73.420000000000002 111.35 177.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -72.26 77.13 2.09 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 121.979 1.786 . . . . 62.439999999999998 111.129 173.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.2 tmmm? 57.09 81.38 0.14 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.646 -0.706 . . . . 74.530000000000001 110.378 -176.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.45 ' HB3' ' HB1' ' A' ' 69' ' ' ALA . . . -163.25 161.13 18.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.794 -0.639 . . . . 63.229999999999997 110.183 -179.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -63.25 147.21 94.05 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.543 2.162 . . . . 73.25 111.867 174.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.423 ' HB3' ' H ' ' A' ' 68' ' ' GLY . . . -125.13 155.51 39.79 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.344 -0.389 . . . . 75.140000000000001 110.935 -178.382 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.234 0 CA-C-O 118.482 -0.77 . . . . 62.130000000000003 110.064 178.412 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.8 mmm . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 120.791 0.329 . . . . 72.030000000000001 110.602 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 108.47 -121.83 6.42 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 121.013 -0.613 . . . . 50.130000000000003 112.054 177.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -98.42 159.74 14.75 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.874 -0.417 . . . . 73.25 109.874 178.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.0 m80 -75.41 108.5 8.25 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.805 -0.442 . . . . 73.400000000000006 109.805 176.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -73.52 -22.58 60.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.366 -0.834 . . . . 73.129999999999995 111.185 -175.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -93.0 74.73 4.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.576 0.703 . . . . 73.530000000000001 109.71 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -153.5 132.07 12.2 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.917 -1.038 . . . . 71.420000000000002 108.652 -178.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -102.53 147.83 26.29 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.278 0.561 . . . . 73.530000000000001 111.475 -175.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.6 t -87.56 118.75 27.25 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.289 -0.869 . . . . 74.420000000000002 109.213 173.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -83.43 -20.07 34.77 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.16 -0.681 . . . . 74.349999999999994 109.16 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 27.0 ttt -67.21 -32.6 73.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.412 -0.813 . . . . 70.109999999999999 109.471 174.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.0 m -83.81 91.31 7.51 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.627 -0.715 . . . . 71.540000000000006 109.467 175.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 38.1 m -102.91 138.74 19.65 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 115.557 -0.747 . . . . 71.150000000000006 110.274 -175.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_exo -71.07 92.75 0.64 Allowed 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 122.028 1.819 . . . . 74.310000000000002 110.78 172.289 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.26 -35.11 77.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 73.129999999999995 110.308 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.3 t -139.6 165.05 28.28 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.915 -0.584 . . . . 74.109999999999999 109.461 177.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -117.46 -120.15 3.06 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.694 -0.765 . . . . 64.129999999999995 112.034 -178.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -146.06 152.91 48.53 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 109.731 -0.47 . . . . 61.009999999999998 109.731 178.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -57.77 125.91 20.14 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.845 2.363 . . . . 74.209999999999994 112.314 177.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 177.55 -33.78 0.08 OUTLIER Glycine 0 CA--C 1.508 -0.364 0 N-CA-C 110.926 -0.869 . . . . 51.130000000000003 110.926 -178.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.29 178.87 5.85 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.742 -0.466 . . . . 64.219999999999999 109.742 174.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.757 HD12 HD11 ' A' ' 26' ' ' LEU . 95.4 mt -90.0 154.74 47.52 Favored Pre-proline 0 C--N 1.319 -0.749 0 CA-C-N 116.653 -0.249 . . . . 74.319999999999993 110.901 -178.064 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -69.58 -173.22 0.65 Allowed 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.531 2.154 . . . . 72.510000000000005 111.582 172.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.51 -49.07 9.61 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.889 0.376 . . . . 75.299999999999997 111.059 -176.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -104.51 89.61 3.27 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.096 0.474 . . . . 71.549999999999997 111.901 -176.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.757 HD11 HD12 ' A' ' 22' ' ' LEU . 95.9 mt -79.81 -21.95 43.64 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.447 0.642 . . . . 73.239999999999995 109.858 172.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.456 ' HA ' HD13 ' A' ' 53' ' ' ILE . 9.6 p-10 -80.21 -20.48 44.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.298 -0.865 . . . . 72.319999999999993 110.996 -176.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -80.65 -30.46 36.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.957 -0.565 . . . . 60.009999999999998 111.222 -175.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 66.0 mtm -70.2 163.46 26.35 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.032 0.444 . . . . 74.409999999999997 111.194 -177.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.543 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 65.2 mttt -73.11 168.14 19.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.782 -0.645 . . . . 73.239999999999995 110.256 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.408 ' O ' ' HG3' ' A' ' 35' ' ' LYS . 61.0 t -67.86 -35.18 71.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.119 0.485 . . . . 74.319999999999993 109.84 178.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.87 -36.81 85.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.704 -0.68 . . . . 72.219999999999999 110.915 178.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.543 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 15.8 mm-40 -66.49 -40.32 89.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.18 0.514 . . . . 72.519999999999996 109.961 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.53 -42.09 99.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.545 -0.752 . . . . 74.209999999999994 110.254 177.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.526 ' HA ' HD12 ' A' ' 38' ' ' LEU . 96.3 mttt -60.3 -34.46 73.81 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.027 -0.533 . . . . 75.430000000000007 111.162 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -62.14 -46.08 90.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.658 0.265 . . . . 71.230000000000004 110.719 178.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -65.58 -28.86 69.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.038 0.446 . . . . 72.219999999999999 110.942 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.533 ' HB2' HG12 ' A' ' 45' ' ' VAL . 49.2 mt -78.13 -50.94 11.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.809 -0.632 . . . . 75.420000000000002 111.239 -179.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -65.22 -25.64 67.78 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.453 -0.34 . . . . 65.329999999999998 111.517 -174.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 87.7 mt -79.98 -10.64 59.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.769 0.319 . . . . 75.549999999999997 111.138 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 58.2 mtt85 -125.34 17.65 8.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.57 -0.286 . . . . 74.310000000000002 111.327 -176.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.8 m 62.34 30.8 17.49 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.086 -0.506 . . . . 72.450000000000003 111.414 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.2 mt -96.63 149.56 35.96 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 116.107 -0.497 . . . . 75.150000000000006 110.756 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.518 ' HD2' ' HD3' ' A' ' 55' ' ' ARG . 25.7 Cg_exo -63.94 123.13 11.44 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.905 2.403 . . . . 71.200000000000003 112.182 175.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.533 HG12 ' HB2' ' A' ' 38' ' ' LEU . 33.1 m -94.25 -7.8 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 73.219999999999999 111.1 -178.19 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.1 t -87.71 157.45 19.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.998 -0.547 . . . . 74.420000000000002 110.056 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.96 -166.76 12.46 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.889 -0.672 . . . . 52.549999999999997 111.8 -178.662 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.465 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 36.3 p -83.91 166.62 17.7 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 110.389 -0.226 . . . . 74.230000000000004 110.389 178.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.424 ' O ' HG13 ' A' ' 53' ' ' ILE . 88.5 tttt -63.37 -38.2 90.24 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.775 -0.454 . . . . 73.310000000000002 109.775 177.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.6 m -56.63 -41.07 76.5 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.995 -0.548 . . . . 71.120000000000005 110.737 177.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -59.03 -53.66 55.92 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.982 -0.554 . . . . 73.120000000000005 110.807 176.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 48' ' ' THR . 23.2 mt -61.57 -46.63 89.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.795 -0.639 . . . . 74.230000000000004 111.476 -173.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' A' ' 27' ' ' ASP . 92.4 mt -56.14 -54.41 27.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 115.946 -0.57 . . . . 73.230000000000004 111.581 -178.269 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -77.52 -24.73 49.94 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.24 -0.437 . . . . 74.219999999999999 111.611 -173.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.518 ' HD3' ' HD2' ' A' ' 44' ' ' PRO . 26.8 ttm180 -64.28 -38.21 90.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.141 0.496 . . . . 64.430000000000007 109.855 175.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.79 -44.68 92.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.721 -0.672 . . . . 64.129999999999995 110.095 174.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.448 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 51.7 mtp180 -58.99 -50.78 72.8 Favored 'General case' 0 CA--C 1.522 -0.121 0 CA-C-N 115.92 -0.582 . . . . 75.329999999999998 110.283 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.22 -36.44 79.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.937 -0.574 . . . . 73.099999999999994 111.71 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.586 ' O ' HG13 ' A' ' 63' ' ' ILE . 66.5 t80 -69.07 -43.17 75.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.299 -0.41 . . . . 74.340000000000003 110.529 -179.416 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.522 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -74.21 -30.9 62.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.113 0.482 . . . . 65.010000000000005 110.189 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.18 -31.91 69.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.51 -0.768 . . . . 74.329999999999998 111.057 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -98.56 9.36 43.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.887 -0.597 . . . . 75.140000000000001 111.094 -178.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.586 HG13 ' O ' ' A' ' 59' ' ' TYR . 70.3 mt -97.71 -60.03 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.916 0.389 . . . . 73.099999999999994 110.549 176.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.5 m -146.71 94.05 4.77 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-O 120.895 0.379 . . . . 75.430000000000007 110.85 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_endo -88.61 19.08 1.37 Allowed 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 123.446 2.764 . . . . 75.430000000000007 112.139 177.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.8 m -129.79 155.64 80.15 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.019 -0.537 . . . . 74.099999999999994 110.944 -175.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -79.68 -15.07 12.38 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 123.235 2.623 . . . . 70.519999999999996 113.104 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -105.53 -65.37 0.66 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.521 -0.847 . . . . 73.140000000000001 111.917 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 68.61 154.23 0.14 Allowed Pre-proline 0 N--CA 1.466 0.326 0 C-N-CA 123.42 0.688 . . . . 74.420000000000002 112.203 177.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -62.62 118.74 5.64 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.228 1.952 . . . . 75.129999999999995 110.528 172.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -75.78 80.51 2.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.276 0.56 . . . . 75.030000000000001 111.109 -173.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -125.08 114.33 26.3 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.448 -0.796 . . . . 65.430000000000007 109.338 175.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.56 128.42 28.22 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.825 2.35 . . . . 63.439999999999998 112.187 -178.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -107.66 149.45 28.09 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.148 -0.478 . . . . 65.140000000000001 111.009 -177.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.518 -0.753 . . . . 64.129999999999995 110.33 177.729 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 109.823 -0.436 . . . . 75.549999999999997 109.823 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 154.04 -160.09 29.19 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.225 -0.988 . . . . 64.219999999999999 112.517 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -127.48 -179.74 5.07 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.722 0.296 . . . . 73.319999999999993 110.715 -176.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 63.3 m80 -95.12 158.56 15.41 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.998 -0.546 . . . . 72.329999999999998 109.898 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -83.01 -68.66 0.69 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.338 -0.392 . . . . 73.219999999999999 110.895 -175.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 50.4 t60 58.08 41.83 23.4 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.339 0.59 . . . . 64.519999999999996 110.508 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -117.28 16.42 14.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.239 -0.437 . . . . 71.129999999999995 111.398 -178.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -78.62 101.59 7.53 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.582 -0.525 . . . . 64.109999999999999 109.582 176.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 t -67.97 130.35 42.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.183 0.516 . . . . 74.340000000000003 110.429 -177.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.618 ' O ' ' HG2' ' A' ' 11' ' ' MET . 4.5 p80 -139.5 22.3 2.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.783 -0.644 . . . . 75.140000000000001 110.093 -178.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.618 ' HG2' ' O ' ' A' ' 10' ' ' HIS . 9.1 ptt? 67.96 136.73 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.739 1.216 . . . . 71.219999999999999 112.436 177.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.4 m -136.3 159.96 40.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.263 -0.88 . . . . 74.219999999999999 109.631 178.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.7 p -83.26 154.29 66.47 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-O 120.656 0.265 . . . . 74.239999999999995 111.164 178.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.32 120.76 8.17 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.562 2.174 . . . . 64.109999999999999 111.92 177.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.3 tp -97.01 99.94 11.46 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.224 -0.444 . . . . 73.450000000000003 109.906 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.1 m -73.21 -32.65 64.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.122 -0.49 . . . . 71.239999999999995 110.901 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 167.95 -98.53 0.14 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.479 -0.867 . . . . 72.409999999999997 112.74 178.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.439 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 19.9 ptpt -155.59 147.06 16.84 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 110.354 -0.239 . . . . 74.129999999999995 110.354 -176.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 18' ' ' LYS . 8.3 Cg_endo -88.27 105.35 0.5 Allowed 'Trans proline' 0 N--CA 1.452 -0.947 0 C-N-CA 123.025 2.483 . . . . 75.310000000000002 111.995 174.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.1 -40.5 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.744 -0.741 . . . . 38.219999999999999 111.922 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.38 149.2 31.54 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.313 -0.254 . . . . 74.409999999999997 110.313 -177.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.7 mt -88.5 152.06 49.06 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.526 -0.306 . . . . 74.409999999999997 110.315 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.433 ' HG2' HD23 ' A' ' 26' ' ' LEU . 17.8 Cg_endo -61.79 149.72 88.87 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.439 2.093 . . . . 73.329999999999998 111.342 174.242 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.47 -27.29 58.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.189 0.518 . . . . 54.140000000000001 110.534 -177.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.59 ' HB3' ' HB2' ' A' ' 28' ' ' ASP . 18.8 m120 -100.11 78.06 2.04 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.577 -0.738 . . . . 51.439999999999998 110.337 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.433 HD23 ' HG2' ' A' ' 23' ' ' PRO . 75.0 mt -84.79 -39.52 18.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.001 0.429 . . . . 75.519999999999996 110.76 -179.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -73.26 -20.71 60.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.289 0.566 . . . . 61.039999999999999 110.398 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.59 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 12.1 m-20 -77.83 -18.11 56.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.842 -0.617 . . . . 50.32 110.163 177.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.703 ' HE2' ' HB3' ' A' ' 33' ' ' GLU . 68.4 mmm -77.81 146.67 35.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.807 -0.633 . . . . 73.510000000000005 110.018 178.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.478 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 24.8 mtpp -78.24 166.57 22.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.464 -0.335 . . . . 72.329999999999998 110.408 179.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.9 t -61.58 -38.81 81.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.103 0.478 . . . . 74.430000000000007 110.409 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.16 -23.78 65.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.804 -0.635 . . . . 65.129999999999995 110.882 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.703 ' HB3' ' HE2' ' A' ' 29' ' ' MET . 9.6 mm-40 -78.95 -44.4 22.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.021 -0.536 . . . . 72.200000000000003 110.073 178.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.2 mt -59.43 -43.37 93.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.558 -0.746 . . . . 74.530000000000001 110.586 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.474 ' HA ' HD13 ' A' ' 38' ' ' LEU . 97.2 mttt -58.44 -34.1 70.45 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.995 -0.548 . . . . 72.329999999999998 111.528 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -60.4 -51.84 67.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.464 -0.334 . . . . 73.140000000000001 111.01 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -71.86 -28.13 63.33 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.775 -0.37 . . . . 72.019999999999996 111.338 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.474 HD13 ' HA ' ' A' ' 35' ' ' LYS . 78.2 mt -62.35 -56.56 17.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.608 0.242 . . . . 75.329999999999998 110.576 175.645 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.42 ' HE2' HG13 ' A' ' 45' ' ' VAL . 17.2 ptpt -64.87 -27.17 68.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.497 -0.319 . . . . 74.329999999999998 111.413 -175.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.8 mt -80.6 -17.61 50.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.575 0.226 . . . . 64.530000000000001 111.325 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 74.6 mtt-85 -112.74 23.08 13.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.551 0.215 . . . . 74.099999999999994 111.048 -178.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.8 t 69.08 20.72 7.6 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.951 -0.568 . . . . 64.420000000000002 111.559 175.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 36.3 mt -99.82 145.3 29.91 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.373 -0.376 . . . . 74.120000000000005 110.981 -178.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -63.88 141.13 76.65 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.833 2.355 . . . . 74.120000000000005 111.689 174.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.42 HG13 ' HE2' ' A' ' 39' ' ' LYS . 32.5 m -99.12 -11.46 8.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.847 0.356 . . . . 75.519999999999996 111.638 -174.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.3 t -82.15 142.86 31.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.393 -0.367 . . . . 74.040000000000006 110.187 178.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 137.29 168.4 11.36 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.879 -0.676 . . . . 45.109999999999999 111.843 -179.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.591 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 23.5 p -73.99 162.18 29.31 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.573 0.187 . . . . 70.5 110.855 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.434 ' O ' HG13 ' A' ' 53' ' ' ILE . 75.5 tttt -54.28 -51.33 64.95 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.853 0.359 . . . . 75.319999999999993 111.098 -176.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.2 m -59.42 -40.75 87.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.913 -0.585 . . . . 75.219999999999999 110.895 -178.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -61.18 -45.04 96.22 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 115.933 -0.576 . . . . 73.519999999999996 110.775 178.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 48' ' ' THR . 55.0 mt -62.69 -42.44 99.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 74.040000000000006 110.653 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.487 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 81.9 mt -60.63 -51.94 67.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.174 -0.466 . . . . 73.340000000000003 110.887 178.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.471 ' HG2' ' NH2' ' A' ' 57' ' ' ARG . 33.4 mt-10 -67.31 -31.4 71.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.417 -0.356 . . . . 74.510000000000005 111.133 -178.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 33.8 ttm180 -59.85 -40.25 87.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.135 0.493 . . . . 74.0 109.877 177.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.4 mt -68.95 -44.57 72.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.634 -0.712 . . . . 74.510000000000005 110.506 175.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.487 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 25.9 mtm180 -66.31 -34.14 77.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.369 -0.378 . . . . 74.450000000000003 111.393 -176.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.24 -31.44 60.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.117 0.484 . . . . 74.450000000000003 110.505 177.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.472 ' O ' HG13 ' A' ' 63' ' ' ILE . 92.9 t80 -68.89 -43.18 75.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.936 -0.575 . . . . 73.140000000000001 110.209 176.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.3 tm0? -73.74 -29.83 62.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.939 -0.573 . . . . 74.239999999999995 110.399 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -57.65 -44.3 85.55 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.248 -0.433 . . . . 74.030000000000001 111.304 178.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -78.42 -7.73 57.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 75.549999999999997 111.131 -178.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 59' ' ' TYR . 74.3 mt -86.35 -31.34 6.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 121.243 0.544 . . . . 73.310000000000002 109.678 175.478 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.1 t -93.43 141.86 24.46 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.364 -0.834 . . . . 72.319999999999993 110.709 -178.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -57.34 113.95 1.72 Allowed 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.868 2.379 . . . . 73.420000000000002 112.152 175.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.407 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 27.1 m -80.62 137.92 51.11 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.018 -0.537 . . . . 75.109999999999999 111.313 -178.192 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 66' ' ' VAL . 52.3 Cg_exo -56.44 -61.94 0.29 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.001 2.467 . . . . 64.219999999999999 112.646 177.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -146.63 -3.38 0.51 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.183 -1.008 . . . . 52.009999999999998 113.442 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 63.83 97.81 0.04 OUTLIER Pre-proline 0 N--CA 1.464 0.259 0 C-N-CA 122.909 0.484 . . . . 60.310000000000002 110.426 -176.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -54.89 100.02 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 123.325 2.683 . . . . 73.430000000000007 113.104 -174.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 71' ' ' LYS . 41.0 tptt -89.39 98.99 12.08 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 108.584 -0.895 . . . . 75.140000000000001 108.584 175.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -43.93 108.93 0.75 Allowed Pre-proline 0 N--CA 1.464 0.268 0 O-C-N 124.045 0.841 . . . . 74.230000000000004 112.856 -172.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -97.47 -173.46 0.19 Allowed 'Trans proline' 0 N--CA 1.45 -1.061 0 C-N-CA 123.566 2.844 . . . . 75.540000000000006 111.941 176.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -150.5 155.5 39.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.358 -0.383 . . . . 72.140000000000001 110.007 178.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.868 0 CA-C-O 118.578 -0.725 . . . . 75.430000000000007 109.802 178.114 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.3 ttp . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.555 0.217 . . . . 73.129999999999995 111.142 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -75.52 -4.95 76.65 Favored Glycine 0 C--N 1.335 0.495 0 C-N-CA 121.46 -0.4 . . . . 61.329999999999998 113.595 -175.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -124.15 -43.08 2.1 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.005 0.431 . . . . 75.140000000000001 110.269 176.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 52.7 m-70 -107.6 109.19 20.76 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.269 -0.641 . . . . 72.400000000000006 109.269 174.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -111.25 116.07 30.41 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.088 -0.506 . . . . 75.329999999999998 110.573 -174.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -112.1 114.97 28.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.062 -0.517 . . . . 70.310000000000002 110.686 176.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -147.12 3.34 0.8 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.93 -0.577 . . . . 71.129999999999995 109.958 177.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -134.78 152.53 51.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.85 -0.614 . . . . 71.420000000000002 109.599 177.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.7 t -146.25 134.49 21.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.935 0.398 . . . . 72.329999999999998 110.567 178.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -117.97 91.33 3.54 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.183 -0.673 . . . . 73.120000000000005 109.183 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 66.8 mtt -97.45 -54.52 3.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.394 -0.366 . . . . 74.519999999999996 110.611 -176.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.3 m 58.08 74.13 0.44 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.637 0.732 . . . . 53.520000000000003 110.521 -174.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.0 m -74.02 128.93 85.64 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 114.64 -1.164 . . . . 75.230000000000004 110.885 -176.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.51 130.54 41.07 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.757 2.305 . . . . 74.049999999999997 112.016 177.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.0 mt -76.46 135.68 39.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.09 -0.505 . . . . 73.219999999999999 110.697 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.4 m -88.55 115.34 26.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.098 -0.501 . . . . 74.25 110.443 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 141.75 -121.42 1.83 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.854 -0.689 . . . . 73.409999999999997 112.402 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.448 ' HE2' ' HB3' ' A' ' 18' ' ' LYS . 40.9 mtpt 60.0 101.62 0.04 OUTLIER Pre-proline 0 N--CA 1.464 0.271 0 C-N-CA 123.415 0.686 . . . . 72.099999999999994 112.069 -178.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.08 118.09 5.21 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.507 2.138 . . . . 75.409999999999997 112.463 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.91 -36.14 14.12 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 110.903 -0.879 . . . . 54.009999999999998 110.903 174.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.32 -174.21 2.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.286 -0.457 . . . . 73.430000000000007 110.571 177.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.6 mt -103.76 146.75 33.1 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 120.827 0.346 . . . . 75.319999999999993 111.752 -173.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -70.35 153.79 65.92 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.399 2.066 . . . . 71.129999999999995 110.444 169.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.31 1.77 43.39 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.85 0.357 . . . . 71.0 111.46 -176.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.516 ' O ' ' HG3' ' A' ' 29' ' ' MET . 0.9 OUTLIER -104.74 36.27 2.49 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.417 -0.356 . . . . 62.130000000000003 111.371 -178.388 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.5 mt -57.63 -40.63 79.67 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.943 0.349 . . . . 75.430000000000007 111.943 -176.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -82.24 -17.13 47.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.156 0.503 . . . . 72.109999999999999 110.421 -178.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.499 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 8.6 m-20 -84.48 -9.33 58.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.733 -0.667 . . . . 72.219999999999999 110.028 177.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' MET . . . . . 0.516 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 89.9 mtp -94.92 147.08 23.76 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.843 -0.617 . . . . 64.430000000000007 110.583 -179.465 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -82.74 174.55 10.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.892 -0.595 . . . . 63.0 110.946 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.506 HG23 ' HB2' ' A' ' 49' ' ' LYS . 36.5 t -61.47 -46.3 96.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.81 -0.632 . . . . 74.219999999999999 110.02 179.549 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.91 -40.67 96.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.739 -0.664 . . . . 72.230000000000004 110.963 178.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -63.57 -43.61 96.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 74.340000000000003 110.997 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.56 -39.0 91.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.38 -0.373 . . . . 73.430000000000007 111.213 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.552 ' HA ' HD12 ' A' ' 38' ' ' LEU . 98.2 mttt -60.34 -32.93 71.72 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.397 -0.365 . . . . 74.129999999999995 111.422 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -63.46 -49.3 74.19 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.883 -0.414 . . . . 75.340000000000003 109.883 176.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -63.93 -34.11 77.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.621 -0.718 . . . . 72.209999999999994 111.374 -179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 35' ' ' LYS . 59.5 mt -63.48 -61.1 2.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.002 -0.544 . . . . 72.530000000000001 111.388 179.29 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.404 ' HB2' ' HE3' ' A' ' 39' ' ' LYS . 14.9 ptmt -66.88 -26.44 66.88 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.128 0.418 . . . . 60.509999999999998 112.128 -172.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 69.2 mt -68.94 -22.74 64.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.003 0.43 . . . . 63.520000000000003 110.719 176.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -105.99 13.22 29.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.125 -0.489 . . . . 74.140000000000001 110.226 177.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.5 m 61.77 67.94 0.73 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.815 -0.629 . . . . 73.439999999999998 110.845 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 33.2 mt -136.63 145.61 51.99 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.789 -0.641 . . . . 71.430000000000007 110.37 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . 0.52 ' HD2' ' HD3' ' A' ' 55' ' ' ARG . 36.3 Cg_exo -60.47 142.19 97.37 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.607 2.205 . . . . 71.019999999999996 111.465 175.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.518 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 35.5 m -107.57 1.23 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.911 0.386 . . . . 73.150000000000006 111.626 -175.09 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.9 m -73.39 159.75 32.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.257 -0.429 . . . . 73.230000000000004 110.808 178.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.2 -174.24 20.38 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.807 -0.711 . . . . 74.209999999999994 112.392 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.636 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 7.3 p -96.58 -178.22 4.19 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 122.302 0.241 . . . . 62.420000000000002 110.543 178.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.506 ' HB2' HG23 ' A' ' 31' ' ' VAL . 82.8 tttt -53.03 -54.27 37.8 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.811 0.338 . . . . 71.319999999999993 111.465 -179.361 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.9 m -62.99 -36.04 82.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.232 -0.44 . . . . 75.439999999999998 111.348 -175.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -59.14 -41.97 89.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.968 0.413 . . . . 54.32 110.167 177.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.636 ' HG ' ' O ' ' A' ' 48' ' ' THR . 22.7 mt -67.67 -41.09 84.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.885 -0.598 . . . . 75.209999999999994 110.34 -179.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.551 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 74.2 mt -59.31 -51.56 71.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 116.093 -0.503 . . . . 74.329999999999998 110.585 178.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -64.09 -36.34 83.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 72.319999999999993 110.976 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.52 ' HD3' ' HD2' ' A' ' 44' ' ' PRO . 37.6 ttm180 -65.27 -41.53 94.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.892 -0.595 . . . . 70.430000000000007 110.621 178.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.63 -42.89 99.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 63.439999999999998 110.627 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.551 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 63.2 mtp180 -61.04 -41.08 95.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 73.0 110.608 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.76 -32.45 73.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.966 -0.561 . . . . 60.229999999999997 111.249 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.593 ' O ' HG12 ' A' ' 63' ' ' ILE . 87.4 t80 -76.23 -40.52 51.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.519 -0.31 . . . . 75.099999999999994 110.752 178.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.7 tm0? -65.05 -39.53 93.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.964 0.412 . . . . 71.209999999999994 110.106 -178.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -59.42 -42.55 92.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.959 -0.564 . . . . 74.450000000000003 110.987 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -80.58 -2.46 46.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.386 -0.37 . . . . 74.530000000000001 111.407 -176.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.593 HG12 ' O ' ' A' ' 59' ' ' TYR . 33.4 mm -76.87 -23.32 15.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.549 -0.537 . . . . 73.340000000000003 109.549 173.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.9 m 71.64 90.52 0.07 OUTLIER Pre-proline 0 N--CA 1.464 0.231 0 CA-C-N 115.187 -0.915 . . . . 74.530000000000001 110.862 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -68.98 120.71 7.59 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.877 2.385 . . . . 74.299999999999997 111.667 178.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.451 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 30.2 m -65.07 142.88 98.75 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.199 -0.455 . . . . 72.150000000000006 111.405 -179.386 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 66' ' ' VAL . 11.4 Cg_exo -70.63 -78.49 0.01 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.815 2.343 . . . . 75.109999999999999 112.492 -179.185 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -121.81 54.26 0.69 Allowed Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.684 -0.769 . . . . 73.340000000000003 112.147 -178.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -115.51 101.41 54.26 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-O 120.676 0.274 . . . . 70.120000000000005 110.426 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.67 112.51 3.5 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.719 2.279 . . . . 70.439999999999998 112.476 -178.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HD3' ' HA ' ' A' ' 71' ' ' LYS . 69.8 mmtt -110.37 13.56 22.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.25 0.548 . . . . 75.409999999999997 110.522 177.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -147.59 143.69 18.29 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.308 -0.86 . . . . 60.200000000000003 109.521 177.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -72.57 94.48 0.77 Allowed 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.754 2.302 . . . . 72.140000000000001 111.824 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -159.38 179.25 9.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.918 -0.583 . . . . 73.310000000000002 109.889 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.62 -0.705 . . . . 74.129999999999995 109.651 177.78 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.627 HD13 HD11 ' A' ' 26' ' ' LEU . 79.2 mt . . . . . 0 C--O 1.234 0.261 0 N-CA-C 110.316 -0.253 . . . . 72.02 110.316 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.44 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 42.9 Cg_endo -71.63 144.28 44.13 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 121.938 1.759 . . . . 72.24 110.546 169.332 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.62 12.65 1.95 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.869 0.366 . . . . 74.04 111.256 -175.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -122.01 28.57 7.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.181 -0.463 . . . . 74.25 110.483 -173.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.627 HD11 HD13 ' A' ' 22' ' ' LEU . 96.3 mt -56.91 -46.69 81.8 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.032 -0.531 . . . . 74.21 111.904 -176.325 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -69.6 -27.19 64.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.169 -0.469 . . . . 75.21 111.231 -176.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -79.8 -13.05 59.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.793 0.33 . . . . 73.42 111.321 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 60.2 mtm -87.09 170.21 11.72 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.698 -0.482 . . . . 72.13 109.698 174.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.537 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -101.43 175.97 5.4 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.469 -0.332 . . . . 62.51 110.977 -175.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.6 t -58.89 -47.38 89.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.732 -0.667 . . . . 75.32 111.785 -176.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.45 -32.4 71.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.762 0.315 . . . . 40.35 110.883 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.537 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 5.4 mm-40 -65.03 -45.13 86.71 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.68 -0.489 . . . . 73.2 109.68 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.6 -37.44 87.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.764 -0.653 . . . . 75.14 110.601 178.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.562 ' HA ' HD12 ' A' ' 38' ' ' LEU . 94.1 mttt -65.84 -25.37 67.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.033 -0.531 . . . . 75.34 111.145 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -59.76 -46.82 87.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.758 -0.201 . . . . 73.54 110.663 176.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -65.92 -45.94 80.07 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.748 -0.381 . . . . 71.31 110.513 176.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 35' ' ' LYS . 87.0 mt -54.2 -56.35 19.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.262 -0.426 . . . . 74.34 111.849 -177.221 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -65.84 -26.35 67.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.66 0.267 . . . . 74.33 111.523 -174.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.7 mt -87.05 -33.56 19.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.58 -0.282 . . . . 71.32 111.642 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -94.66 18.21 11.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.815 -0.175 . . . . 64.41 111.421 -176.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.0 m 65.68 52.34 1.33 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.323 0.582 . . . . 70.5 111.258 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.479 HD22 ' HG2' ' A' ' 55' ' ' ARG . 28.6 mt -128.88 133.16 24.89 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.947 -0.57 . . . . 63.4 110.89 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -65.91 128.97 20.87 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 122.554 2.169 . . . . 75.34 111.928 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.3 m -89.4 12.94 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.123 -0.49 . . . . 71.25 111.582 -176.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 m -78.48 114.3 17.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.189 -0.46 . . . . 72.42 111.12 -177.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 143.23 -163.94 27.35 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.47 -0.871 . . . . 64.13 112.898 176.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.66 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 32.4 p -98.83 171.04 8.33 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.222 -0.288 . . . . 71.35 110.222 178.257 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -55.33 -35.67 65.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.005 0.431 . . . . 71.23 110.196 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.7 m -57.09 -47.62 80.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.53 -0.759 . . . . 74.04 110.534 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -65.76 -41.88 91.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.934 -0.575 . . . . 74.32 110.992 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' ' 48' ' ' THR . 31.4 mt -57.62 -48.55 79.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.312 -0.403 . . . . 61.15 111.028 -176.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.7 mt -63.15 -47.2 93.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.431 -0.349 . . . . 73.44 110.957 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -63.51 -38.6 91.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.306 -0.406 . . . . 75.02 111.212 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.479 ' HG2' HD22 ' A' ' 43' ' ' LEU . 24.5 ttm180 -67.51 -39.86 85.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.01 -0.541 . . . . 75.33 110.216 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 70.9 mt -62.33 -43.18 99.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.985 -0.552 . . . . 75.31 110.136 173.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -59.47 -43.09 93.31 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 115.81 -0.632 . . . . 63.31 111.104 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.38 88.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.939 0.4 . . . . 53.24 111.47 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -72.93 -21.9 60.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.435 0.636 . . . . 62.15 110.187 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.466 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -85.41 -38.48 18.63 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.591 -0.731 . . . . 55.52 109.176 176.416 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -61.66 -32.83 73.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.507 -0.769 . . . . 74.44 111.902 -174.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.151 0.5 . . . . 73.4 110.972 177.716 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.3 mt . . . . . 0 N--CA 1.454 -0.245 0 CA-C-O 120.612 0.244 . . . . 75.03 110.834 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.49 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 72.5 Cg_endo -77.88 151.94 28.17 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.39 2.06 . . . . 65.32 111.396 173.699 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.69 12.78 2.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.118 0.485 . . . . 65.23 111.094 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -104.35 16.12 26.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.923 -0.58 . . . . 70.3 110.916 -178.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 23' ' ' PRO . 92.3 mt -57.97 -35.31 71.0 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.916 0.389 . . . . 72.14 110.979 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.11 -28.29 69.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.952 -0.567 . . . . 54.34 111.369 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -85.78 -31.6 22.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.882 0.372 . . . . 65.21 110.273 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 89.4 mtp -62.15 140.99 58.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.787 -0.642 . . . . 74.21 110.495 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.615 ' HD2' ' N ' ' A' ' 30' ' ' LYS . 7.1 mptt -84.07 171.06 13.25 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.512 -0.767 . . . . 73.14 110.709 -174.295 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.507 HG12 ' HE3' ' A' ' 35' ' ' LYS . 60.6 t -56.41 -41.74 72.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.914 0.388 . . . . 73.34 109.992 177.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.453 ' O ' ' HG2' ' A' ' 36' ' ' GLN . . . -62.19 -43.95 97.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.724 -0.671 . . . . 64.41 110.773 177.104 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -62.94 -40.17 96.84 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.208 -0.451 . . . . 71.4 110.916 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 85.9 mt -65.61 -40.82 93.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.114 -0.493 . . . . 63.13 110.554 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.507 ' HE3' HG12 ' A' ' 31' ' ' VAL . 98.0 mttt -61.01 -33.21 72.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.124 -0.489 . . . . 64.55 111.257 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 89.5 mm-40 -61.21 -46.39 90.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.4 -0.363 . . . . 73.43 110.587 178.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -69.11 -34.58 75.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.22 -0.445 . . . . 72.21 110.816 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.542 HD13 ' HA ' ' A' ' 45' ' ' VAL . 90.5 mt -65.3 -55.23 19.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.133 -0.485 . . . . 54.14 111.202 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -64.39 -34.49 78.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.709 0.29 . . . . 64.34 111.319 -174.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.7 mt -80.71 -10.28 59.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.529 -0.305 . . . . 72.21 111.766 -176.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -118.99 13.75 13.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.592 0.234 . . . . 75.15 110.776 178.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.8 m 62.71 69.36 0.6 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.749 -0.66 . . . . 45.44 110.852 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.2 mt -139.29 148.84 58.5 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.606 -0.724 . . . . 74.33 110.434 -178.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.645 ' HG2' ' HD3' ' A' ' 55' ' ' ARG . 20.4 Cg_endo -62.8 122.05 10.2 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.503 2.136 . . . . 63.33 111.834 176.646 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.542 ' HA ' HD13 ' A' ' 38' ' ' LEU . 27.7 m -92.91 6.21 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.831 -0.622 . . . . 62.43 111.949 -175.629 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.3 m -101.68 139.86 36.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.803 0.335 . . . . 73.44 110.688 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 140.29 -178.43 19.91 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.926 -0.579 . . . . 75.21 112.005 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.563 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 22.2 p -83.0 161.63 21.68 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.995 -0.372 . . . . 65.54 109.995 177.162 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.423 ' HE2' HD11 ' A' ' 53' ' ' ILE . 86.6 tttt -59.23 -39.65 83.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.479 0.18 . . . . 65.23 111.13 -178.026 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.4 m -56.86 -48.18 78.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.016 0.436 . . . . 62.34 110.405 177.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -62.39 -46.27 89.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.732 -0.667 . . . . 72.21 110.983 177.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 48' ' ' THR . 85.4 mt -62.05 -46.1 90.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 62.21 111.611 -176.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.523 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 69.0 mt -61.33 -50.49 80.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 120.702 0.287 . . . . 74.14 110.812 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -67.81 -25.82 65.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.492 -0.322 . . . . 74.14 110.798 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.645 ' HD3' ' HG2' ' A' ' 44' ' ' PRO . 37.9 ttm180 -65.84 -41.79 91.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.184 -0.462 . . . . 72.41 110.203 176.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 77.1 mt -66.09 -43.98 85.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.859 -0.61 . . . . 62.51 110.281 175.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.523 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 53.6 mtp180 -62.58 -40.09 95.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 74.42 110.298 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.14 -34.81 79.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 74.04 110.932 177.439 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -66.39 -40.9 89.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.106 -0.497 . . . . 74.44 110.37 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.22 -36.32 66.44 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.338 -0.392 . . . . 71.13 110.058 178.071 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -71.6 -22.3 61.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.811 -0.631 . . . . 65.25 111.835 -177.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 121.896 -0.503 . . . . 72.33 110.651 176.473 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.494 HD13 ' HB3' ' A' ' 56' ' ' LEU . 97.6 mt . . . . . 0 N--CA 1.455 -0.207 0 N-CA-C 110.168 -0.308 . . . . 73.05 110.168 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.53 126.61 20.36 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.397 2.065 . . . . 74.21 110.984 173.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.05 -45.78 75.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.157 -0.474 . . . . 64.42 111.798 -176.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -86.19 67.6 10.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.991 0.424 . . . . 61.3 111.538 -178.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.5 -19.84 64.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.264 0.554 . . . . 71.11 109.633 173.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -67.73 -33.25 74.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.276 -0.875 . . . . 62.43 110.712 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.13 -15.76 54.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.874 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 94.5 mmm -73.37 146.51 45.13 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.129 -0.487 . . . . 72.44 110.848 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.516 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 63.4 mttp -66.34 157.73 31.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.087 -0.506 . . . . 54.55 111.064 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.1 -46.97 92.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.628 -0.714 . . . . 75.55 110.438 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' A' ' 36' ' ' GLN . . . -66.23 -31.22 71.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.063 -0.517 . . . . 63.54 110.979 179.058 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.516 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 67.9 mm-40 -72.9 -34.36 66.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.317 -0.401 . . . . 75.43 110.743 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 97.2 mt -62.2 -41.14 98.07 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.55 -0.537 . . . . 73.41 109.55 173.406 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.554 ' HA ' HD12 ' A' ' 38' ' ' LEU . 99.5 mttt -63.11 -35.43 80.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.376 -0.829 . . . . 73.31 110.67 177.352 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 88.6 mm-40 -60.94 -46.61 90.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 75.22 110.673 177.152 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.458 ' HB3' HH12 ' A' ' 41' ' ' ARG . 39.5 mm-40 -70.14 -22.69 62.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.829 -0.623 . . . . 75.22 111.174 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 35' ' ' LYS . 82.4 mt -77.21 -53.86 7.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 61.54 110.725 176.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -63.87 -24.34 67.71 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.34 -0.391 . . . . 65.33 111.885 -174.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.8 mt -75.12 -23.92 57.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.766 0.317 . . . . 65.44 111.251 178.381 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.458 HH12 ' HB3' ' A' ' 37' ' ' GLU . 73.2 mtt85 -115.2 21.63 14.0 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.166 -0.47 . . . . 75.21 110.977 -174.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.0 m 63.68 32.09 14.01 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.472 -0.786 . . . . 62.11 111.668 175.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.41 ' HB3' HD22 ' A' ' 38' ' ' LEU . 47.9 mt -100.17 140.7 21.68 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.041 -0.527 . . . . 65.22 110.973 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -65.04 127.55 18.72 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.656 2.237 . . . . 64.43 112.14 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.498 HG12 ' HB2' ' A' ' 38' ' ' LEU . 32.0 m -95.75 7.93 6.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.12 -0.491 . . . . 63.04 111.353 -177.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.3 p -91.19 99.69 12.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.038 -0.528 . . . . 65.21 111.307 -176.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 169.05 -174.53 43.56 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.995 -0.622 . . . . 64.1 111.94 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.656 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 41.6 p -78.75 168.95 18.98 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.242 -0.281 . . . . 72.13 110.242 177.382 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -58.18 -38.03 75.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.015 0.436 . . . . 74.54 109.927 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.408 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 5.7 m -58.25 -47.94 82.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.628 -0.715 . . . . 74.1 110.326 177.331 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 55' ' ' ARG . 73.8 mm-40 -64.86 -37.7 88.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.848 -0.615 . . . . 62.12 111.31 -179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 48' ' ' THR . 54.7 mt -61.31 -46.09 91.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.927 0.394 . . . . 61.11 110.351 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.523 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 81.3 mt -62.39 -53.1 51.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.809 -0.632 . . . . 74.43 111.042 178.676 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 50' ' ' THR . 28.3 mm-40 -64.63 -27.11 68.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 54.21 110.961 -176.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -65.66 -49.16 69.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 73.23 109.977 178.337 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.494 ' HB3' HD13 ' A' ' 22' ' ' LEU . 78.6 mt -59.72 -45.81 91.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.537 -0.756 . . . . 73.11 110.591 177.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.523 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 81.8 mtp180 -56.78 -48.31 78.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.74 -0.664 . . . . 71.12 110.794 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.52 -27.84 67.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 63.44 111.702 -177.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.412 ' CE2' ' HB3' ' A' ' 41' ' ' ARG . 66.5 t80 -72.47 -52.02 17.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.498 -0.319 . . . . 73.02 110.277 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.1 tm0? -65.53 -33.05 75.02 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.162 0.506 . . . . 74.35 110.069 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -57.92 -40.11 79.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.531 -0.759 . . . . 75.14 111.267 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.774 0.321 . . . . 63.21 111.231 -178.921 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.43 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 86.9 mt . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.622 0.249 . . . . 74.13 110.859 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.552 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 58.7 Cg_endo -74.63 147.64 35.93 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.573 2.182 . . . . 64.44 111.156 172.24 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.09 -6.25 52.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.118 0.485 . . . . 52.11 111.115 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.427 ' O ' ' HG3' ' A' ' 29' ' ' MET . 14.2 m120 -96.96 33.86 1.82 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.065 -0.516 . . . . 71.5 110.572 -176.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 23' ' ' PRO . 96.6 mt -58.25 -32.44 68.36 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.27 0.47 . . . . 73.25 112.27 -177.599 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -82.26 -26.72 32.94 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.808 -0.357 . . . . 71.42 110.739 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.4 ' HB3' ' HB3' ' A' ' 25' ' ' ASN . 18.7 t70 -71.13 -31.18 67.42 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.418 0.628 . . . . 75.55 109.637 174.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.488 ' O ' ' HE3' ' A' ' 49' ' ' LYS . 87.8 mtp -64.73 145.02 56.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.101 -0.954 . . . . 73.42 110.192 176.624 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.441 ' HB2' ' OE1' ' A' ' 33' ' ' GLU . 38.1 mttp -85.09 178.53 7.51 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.162 -0.472 . . . . 73.43 110.019 -178.164 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.6 t -64.27 -29.32 47.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.17 -0.468 . . . . 75.24 110.399 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.0 -59.38 3.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.976 -0.556 . . . . 63.5 111.636 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.441 ' OE1' ' HB2' ' A' ' 30' ' ' LYS . 1.2 pm0 -61.95 -32.06 72.45 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.883 0.327 . . . . 74.15 111.883 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 73.2 mt -62.03 -43.33 99.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.899 0.38 . . . . 63.32 110.379 175.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.412 ' HE2' ' O ' ' A' ' 45' ' ' VAL . 98.2 mttt -67.89 -34.99 77.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 75.54 110.503 177.391 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -59.0 -47.73 84.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.769 0.318 . . . . 70.4 110.385 175.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -59.23 -31.06 68.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 72.51 111.358 178.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.519 HD22 ' HD2' ' A' ' 55' ' ' ARG . 88.4 mt -77.68 -55.16 5.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.325 -0.398 . . . . 71.32 111.271 179.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -64.57 -28.87 69.93 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.059 0.392 . . . . 65.34 112.059 -173.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.8 mt -76.93 -10.49 59.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.893 0.378 . . . . 75.32 111.076 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.3 mtt85 -116.92 14.58 15.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.325 -0.398 . . . . 73.55 110.839 179.22 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.6 m 64.29 37.88 8.31 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.856 -0.611 . . . . 72.41 111.287 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 29.4 mt -107.27 150.1 39.55 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.743 -0.662 . . . . 73.12 110.148 177.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 43' ' ' LEU . 23.6 Cg_exo -65.17 128.74 21.18 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.699 2.266 . . . . 72.32 111.577 175.269 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.412 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 33.1 m -93.87 7.75 5.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.964 0.411 . . . . 64.23 111.598 -174.373 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.0 m -84.74 140.32 31.35 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.379 -0.373 . . . . 74.43 110.673 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 136.83 174.08 13.17 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.915 -0.659 . . . . 52.25 112.261 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.635 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 36.9 p -90.4 -175.97 4.64 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 122.199 0.2 . . . . 71.23 111.212 178.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.533 ' HE2' HD11 ' A' ' 53' ' ' ILE . 23.7 tptm -52.82 -61.39 2.32 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 122.588 0.355 . . . . 72.43 111.823 -175.7 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.5 m -60.49 -37.22 80.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.534 -0.303 . . . . 55.53 111.66 -177.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -64.39 -42.63 96.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.664 -0.244 . . . . 64.35 111.305 -177.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 48' ' ' THR . 64.7 mt -62.42 -44.26 96.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.144 0.497 . . . . 75.53 110.082 178.185 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.533 HD11 ' HE2' ' A' ' 49' ' ' LYS . 67.3 mt -60.44 -49.26 85.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.451 -0.795 . . . . 72.13 110.713 177.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -65.64 -40.06 92.1 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.562 -0.744 . . . . 75.42 111.465 -174.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.519 ' HD2' HD22 ' A' ' 38' ' ' LEU . 41.3 ttm-85 -61.38 -41.1 96.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.773 0.32 . . . . 60.45 110.153 178.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 77.3 mt -59.09 -47.06 86.64 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.071 -0.513 . . . . 74.24 110.404 175.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.9 mtp85 -60.14 -44.28 95.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.699 -0.682 . . . . 74.42 111.376 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.63 -33.29 75.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.057 0.456 . . . . 73.15 111.247 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -70.92 -43.55 68.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.123 -0.49 . . . . 73.23 110.532 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.43 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 17.7 tm0? -69.29 -35.97 76.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.154 0.502 . . . . 61.12 110.013 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -63.44 -43.27 97.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.461 -0.79 . . . . 70.43 111.269 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.343 -0.39 . . . . 60.34 111.61 -176.207 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.3 mt . . . . . 0 CA--C 1.523 -0.095 0 CA-C-O 120.57 0.224 . . . . 75.51 110.507 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.523 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 58.4 Cg_endo -73.9 164.81 33.67 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.306 2.004 . . . . 74.31 111.632 175.147 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.94 -8.25 59.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.296 0.57 . . . . 71.43 111.037 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -95.88 23.28 6.46 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.089 -0.505 . . . . 74.45 111.829 -176.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 23' ' ' PRO . 77.1 mt -51.0 -47.07 61.63 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.395 0.517 . . . . 72.0 112.395 -176.41 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -83.59 -26.14 30.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.987 0.422 . . . . 71.32 111.015 -177.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -78.08 -34.48 50.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.62 -0.718 . . . . 72.11 111.271 -176.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 76.2 mtp -61.51 154.2 25.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.887 -0.597 . . . . 74.23 110.72 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.53 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 9.4 mptt -80.78 167.68 19.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.975 -0.557 . . . . 53.01 110.828 -175.448 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.532 HG22 ' HD3' ' A' ' 49' ' ' LYS . 59.4 t -53.9 -45.84 63.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.911 -0.586 . . . . 62.01 110.711 177.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' A' ' 36' ' ' GLN . . . -62.64 -43.07 99.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.887 -0.597 . . . . 63.14 111.042 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.53 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 11.5 mm-40 -61.01 -38.87 87.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.316 -0.402 . . . . 72.44 111.129 -178.054 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.0 mt -70.8 -36.47 73.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.097 -0.501 . . . . 72.5 110.719 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -72.84 -25.28 61.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.361 -0.381 . . . . 63.44 110.71 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 86.5 mm-40 -63.03 -38.78 92.57 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.771 -0.455 . . . . 71.41 109.771 172.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -64.56 -48.38 75.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.795 -0.639 . . . . 54.01 110.329 175.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.489 HD11 HD22 ' A' ' 52' ' ' LEU . 96.0 mt -56.67 -50.3 72.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.94 -0.573 . . . . 61.35 111.515 -177.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -64.22 -26.04 68.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.462 -0.336 . . . . 51.21 111.402 -176.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.5 mt -86.83 -26.78 23.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.801 0.334 . . . . 60.05 111.321 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 41' ' ' ARG . 48.9 mtt180 -98.94 15.08 26.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.354 -0.384 . . . . 70.54 111.239 -175.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.5 m 65.5 31.36 10.2 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.317 0.579 . . . . 60.04 111.231 177.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.7 mt -105.94 149.48 38.1 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.614 -0.721 . . . . 53.44 110.528 -178.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -64.9 131.72 29.95 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.41 2.073 . . . . 61.35 111.767 176.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.1 m -89.24 4.5 5.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.885 0.374 . . . . 54.12 111.551 -177.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.4 m -81.57 120.66 25.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.218 -0.446 . . . . 70.44 110.247 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 156.33 164.64 13.6 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.488 -0.863 . . . . 52.51 112.597 178.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.718 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 25.7 p -91.34 173.71 7.77 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 122.257 0.223 . . . . 61.55 111.103 178.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.532 ' HD3' HG22 ' A' ' 31' ' ' VAL . 29.0 tptp -51.78 -46.29 64.1 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.04 0.536 . . . . 64.32 111.898 -174.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.2 m -65.7 -42.01 91.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.134 -0.485 . . . . 73.24 111.334 -178.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.51 -35.58 79.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 60.21 111.146 -175.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.718 ' HG ' ' O ' ' A' ' 48' ' ' THR . 55.7 mt -59.78 -42.63 93.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.001 -0.545 . . . . 73.23 110.359 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.3 mt -67.14 -45.37 86.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.887 -0.597 . . . . 74.23 110.898 -178.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.48 -38.09 89.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 74.44 110.62 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -63.96 -41.68 97.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.907 -0.588 . . . . 74.51 110.849 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 92.3 mt -64.25 -41.27 97.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.382 -0.372 . . . . 64.25 110.538 177.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -61.6 -52.7 63.32 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.918 -0.583 . . . . 53.24 110.932 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.86 -26.26 68.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.099 0.476 . . . . 75.22 111.443 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.408 ' CE2' ' HB3' ' A' ' 41' ' ' ARG . 73.7 t80 -71.23 -52.63 17.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.713 -0.676 . . . . 72.32 110.671 178.543 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -40.41 96.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.389 0.614 . . . . 64.21 109.391 179.125 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -54.65 -47.49 73.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.156 -0.929 . . . . 74.44 111.994 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.622 0.249 . . . . 63.22 110.914 -176.565 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.478 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 80.8 mt . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.311 -0.255 . . . . 75.25 110.311 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -63.04 131.81 34.19 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.167 1.911 . . . . 75.04 110.808 171.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.42 9.23 1.8 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.899 0.38 . . . . 71.13 112.005 -176.601 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.438 ' HB3' ' HB2' ' A' ' 28' ' ' ASP . 17.6 m120 -125.48 46.41 2.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.455 -0.339 . . . . 72.1 110.876 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.91 -31.32 72.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.165 0.507 . . . . 54.02 109.885 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -66.43 -30.36 70.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.598 -0.728 . . . . 75.44 110.928 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.438 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 4.0 m-20 -79.39 -17.59 54.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.854 -0.612 . . . . 72.33 111.079 -179.133 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 86.6 mtp -83.73 160.13 21.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.074 -0.512 . . . . 75.24 110.788 -176.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.501 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 43.1 mttp -78.1 174.57 11.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.003 0.43 . . . . 72.53 110.316 178.601 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.497 HG12 ' HE3' ' A' ' 35' ' ' LYS . 61.3 t -65.88 -45.22 91.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.923 -0.581 . . . . 75.41 109.772 174.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.92 -36.92 84.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.918 -0.583 . . . . 50.23 111.114 178.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.501 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 81.0 mm-40 -60.24 -42.17 94.69 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.285 -0.416 . . . . 62.44 110.593 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.425 HD13 ' HB2' ' A' ' 52' ' ' LEU . 94.0 mt -67.14 -38.78 86.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.85 -0.614 . . . . 65.11 110.238 179.069 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.533 ' HA ' HD12 ' A' ' 38' ' ' LEU . 99.5 mttt -62.75 -35.6 80.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 71.31 110.698 177.537 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -63.36 -41.33 98.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.332 -0.394 . . . . 70.24 110.483 175.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -65.75 -32.46 74.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.068 -0.515 . . . . 71.21 110.944 176.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' ' 35' ' ' LYS . 72.8 mt -73.44 -52.11 14.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.952 -0.567 . . . . 72.45 111.502 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -63.13 -24.84 68.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.453 -0.34 . . . . 72.51 111.84 -174.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.4 mt -78.82 -14.75 59.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.758 0.313 . . . . 74.14 111.147 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 71.4 mtt85 -120.75 18.4 11.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.37 -0.377 . . . . 70.43 111.035 -177.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.1 t 65.79 26.07 11.29 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.787 -0.642 . . . . 73.12 111.432 176.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.439 ' HB3' HD22 ' A' ' 38' ' ' LEU . 40.5 mt -96.71 143.62 26.44 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 116.091 -0.504 . . . . 74.44 110.545 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.6 122.84 11.89 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.895 2.397 . . . . 71.11 112.272 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.0 m -85.72 21.51 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.78 -0.646 . . . . 70.45 111.833 -175.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.6 t -112.55 132.97 54.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.897 0.379 . . . . 72.32 110.184 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.08 178.18 23.89 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.853 -0.612 . . . . 34.31 111.628 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.658 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 33.7 p -87.27 171.93 10.26 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.423 0.154 . . . . 73.1 110.673 178.641 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.541 ' HE2' HD11 ' A' ' 53' ' ' ILE . 24.0 tptm -49.65 -48.42 49.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 45.23 110.657 175.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 p -64.89 -43.98 91.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.841 -0.618 . . . . 73.05 111.473 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -58.24 -47.64 82.9 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.807 0.299 . . . . 73.54 111.807 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' ' 48' ' ' THR . 36.1 mt -62.62 -42.72 99.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.604 -0.271 . . . . 74.24 110.769 -176.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.541 HD11 ' HE2' ' A' ' 49' ' ' LYS . 77.0 mt -62.3 -50.83 78.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 116.305 -0.407 . . . . 73.33 110.811 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.41 ' HA ' ' OE1' ' A' ' 54' ' ' GLU . 7.3 mm-40 -66.51 -35.27 79.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.942 -0.572 . . . . 73.13 111.296 -177.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.8 ttm-85 -66.89 -39.68 87.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.927 0.394 . . . . 72.45 110.429 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.4 ' HB3' HD13 ' A' ' 22' ' ' LEU . 58.1 mt -64.65 -50.86 65.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.966 -0.561 . . . . 62.23 110.217 173.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.429 ' HD3' HG22 ' A' ' 53' ' ' ILE . 4.5 mtp85 -59.65 -44.51 93.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.744 -0.662 . . . . 65.15 111.848 -177.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.62 -33.88 76.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.848 0.356 . . . . 64.23 111.292 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -70.99 -43.22 68.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.378 -0.374 . . . . 74.22 110.238 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.478 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 17.2 tm0? -70.73 -31.76 68.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.034 0.445 . . . . 74.43 110.042 -179.322 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -60.68 -46.63 89.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.864 -0.607 . . . . 73.23 111.509 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 120.831 0.348 . . . . 61.42 111.302 -177.371 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.438 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 73.3 mt . . . . . 0 C--O 1.235 0.335 0 CA-C-O 120.478 0.18 . . . . 52.44 110.601 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.65 157.04 56.64 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.372 2.048 . . . . 60.31 111.351 172.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.68 14.54 4.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.106 0.479 . . . . 43.34 111.332 -177.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.412 ' O ' ' HG3' ' A' ' 29' ' ' MET . 17.2 m120 -117.51 42.08 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.192 -0.458 . . . . 74.53 110.864 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.3 mt -65.8 -29.4 69.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.045 -0.525 . . . . 61.3 111.297 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -79.69 -23.46 42.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 72.23 110.845 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -80.49 -20.99 42.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 75.23 110.794 177.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.412 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 86.7 mtp -72.32 152.26 42.21 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.088 -0.506 . . . . 63.43 110.082 178.176 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.564 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 8.7 mptt -82.41 163.28 21.76 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.888 -0.412 . . . . 71.34 109.888 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.512 HG22 ' HB2' ' A' ' 49' ' ' LYS . 81.1 t -55.19 -45.52 77.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.845 0.355 . . . . 74.45 111.062 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.7 -36.85 85.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 63.32 111.227 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.564 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 6.2 mm-40 -66.88 -38.12 85.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.902 0.382 . . . . 72.33 110.373 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.9 mt -63.55 -40.95 98.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.009 -0.542 . . . . 74.32 110.306 177.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.444 ' HA ' HD12 ' A' ' 38' ' ' LEU . 99.0 mttt -63.31 -31.34 72.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.978 -0.555 . . . . 74.35 110.681 177.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.4 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 16.6 mm100 -64.31 -45.16 89.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.397 -0.365 . . . . 71.23 110.418 177.035 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.582 ' CD ' HH12 ' A' ' 41' ' ' ARG . 4.9 mm-40 -65.29 -31.02 71.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.449 -0.341 . . . . 73.51 111.003 178.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 35' ' ' LYS . 89.6 mt -70.6 -56.15 7.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.136 -0.484 . . . . 73.42 111.056 176.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -60.7 -26.91 67.48 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.398 -0.365 . . . . 73.21 111.788 -174.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 36' ' ' GLN . 97.2 mt -83.52 -16.87 43.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.834 0.35 . . . . 74.04 111.616 -178.436 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.582 HH12 ' CD ' ' A' ' 37' ' ' GLU . 77.5 mtt85 -110.53 20.69 17.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.677 -0.238 . . . . 72.1 111.039 -179.43 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.2 m 65.29 28.35 11.92 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.995 -0.548 . . . . 63.45 111.544 178.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.464 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 46.1 mt -102.31 141.36 22.37 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.924 -0.58 . . . . 72.34 110.597 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 43' ' ' LEU . 25.6 Cg_exo -63.98 138.64 63.6 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.882 2.388 . . . . 74.11 111.709 175.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.8 m -98.18 17.25 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.04 -0.527 . . . . 54.31 111.343 -176.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.2 p -89.39 121.93 32.11 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.237 -0.438 . . . . 73.41 111.314 -177.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 142.05 172.85 13.76 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.83 -0.7 . . . . 63.42 112.685 177.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.681 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 21.7 p -80.21 176.81 9.43 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.39 -0.226 . . . . 74.03 110.39 176.552 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.512 ' HB2' HG22 ' A' ' 31' ' ' VAL . 80.8 tttt -54.61 -51.69 64.56 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.465 0.174 . . . . 71.32 111.466 -176.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.0 m -59.15 -39.45 82.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 74.3 110.829 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -62.98 -40.34 97.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.01 -0.541 . . . . 73.03 110.932 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' A' ' 48' ' ' THR . 44.7 mt -65.02 -45.67 84.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.039 -0.528 . . . . 63.34 110.052 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.48 ' O ' ' HD3' ' A' ' 57' ' ' ARG . 69.7 mt -60.59 -47.55 92.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.847 -0.615 . . . . 72.42 110.65 178.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -61.01 -40.04 92.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 71.35 111.487 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.441 ' HD3' ' HD2' ' A' ' 44' ' ' PRO . 36.5 ttm-85 -67.37 -37.87 83.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.864 0.364 . . . . 75.2 110.252 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.438 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . 66.1 mt -61.34 -46.79 88.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.005 -0.543 . . . . 75.13 110.493 174.494 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.48 ' HD3' ' O ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -63.23 -37.76 88.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.414 . . . . 74.32 111.464 179.23 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.27 -33.69 76.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.071 0.462 . . . . 72.24 110.778 177.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.529 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 75.2 t80 -78.66 -46.08 19.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.123 -0.49 . . . . 73.3 110.572 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -65.04 -33.06 75.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.292 -0.413 . . . . 73.34 111.672 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -64.88 -42.82 94.51 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.67 0.271 . . . . 63.01 111.182 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.529 ' HG2' ' O ' ' A' ' 59' ' ' TYR . 11.4 pt20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.332 -0.394 . . . . 71.13 110.868 -177.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.547 HD13 ' HB3' ' A' ' 56' ' ' LEU . 89.8 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.885 -0.413 . . . . 62.12 109.885 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -74.72 157.22 44.11 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.271 1.98 . . . . 71.21 111.292 173.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.32 -14.96 61.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.67 0.747 . . . . 64.31 110.169 177.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.897 ' HB3' ' HB3' ' A' ' 28' ' ' ASP . 4.2 m-20 -93.44 41.34 1.08 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.352 -0.84 . . . . 74.34 111.646 -175.255 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.3 mt -63.56 -35.21 79.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 73.25 111.013 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -81.66 -21.14 38.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.228 0.537 . . . . 71.1 110.386 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.897 ' HB3' ' HB3' ' A' ' 25' ' ' ASN . 35.2 t70 -76.73 -24.54 53.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.65 -0.705 . . . . 73.55 109.433 177.52 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 85.8 mtp -79.24 153.86 29.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.515 -0.766 . . . . 71.51 109.835 173.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.464 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 44.9 mttp -86.55 176.69 7.69 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.883 0.373 . . . . 73.33 110.684 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.443 HG13 HD11 ' A' ' 52' ' ' LEU . 69.1 t -62.5 -36.09 73.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.768 -0.651 . . . . 64.11 110.453 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.99 -59.11 4.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.865 -0.607 . . . . 54.24 111.855 -177.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.405 ' OE1' ' HB2' ' A' ' 30' ' ' LYS . 1.0 OUTLIER -61.71 -29.31 70.02 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 112.002 0.371 . . . . 61.35 112.002 -179.257 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 65.3 mt -64.8 -41.02 96.14 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.77 -0.372 . . . . 75.3 110.328 175.306 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.514 ' HA ' HD12 ' A' ' 38' ' ' LEU . 98.4 mttt -70.31 -28.95 65.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 71.23 110.852 177.293 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -60.15 -44.46 94.95 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.494 -0.321 . . . . 73.52 110.401 177.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -60.33 -48.84 80.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.027 0.441 . . . . 74.21 110.409 174.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.548 ' HA ' ' HB2' ' A' ' 43' ' ' LEU . 76.1 mt -57.51 -51.77 68.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.84 -0.618 . . . . 54.04 111.746 -177.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.483 ' HB3' HG11 ' A' ' 45' ' ' VAL . 18.0 ptmt -70.97 -19.26 62.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.796 0.331 . . . . 72.24 111.768 -173.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.9 mt -87.01 -32.28 20.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.824 0.345 . . . . 70.21 111.187 176.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -103.87 24.92 10.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.319 -0.4 . . . . 60.5 111.573 -172.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.1 t 63.62 39.0 9.14 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.562 0.696 . . . . 61.34 111.174 173.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.548 ' HB2' ' HA ' ' A' ' 38' ' ' LEU . 40.9 mt -116.51 146.22 37.01 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.814 -0.63 . . . . 74.12 110.605 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.551 ' HD2' ' HD3' ' A' ' 55' ' ' ARG . 30.7 Cg_exo -62.62 120.86 8.57 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.704 2.269 . . . . 65.01 111.984 175.536 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.543 HG12 ' HB2' ' A' ' 38' ' ' LEU . 33.4 m -83.66 -13.7 11.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.309 -0.405 . . . . 55.54 111.446 -178.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.6 p -71.68 130.56 41.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.21 -0.45 . . . . 42.03 110.768 -178.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 142.5 167.36 11.38 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.984 -0.627 . . . . 73.12 112.027 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.686 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 12.7 p -87.38 -178.12 6.09 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 122.175 0.19 . . . . 64.3 110.989 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.523 ' HE2' HD11 ' A' ' 53' ' ' ILE . 24.3 tptm -53.63 -47.38 70.33 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.508 -0.315 . . . . 61.42 110.968 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.4 m -60.91 -44.55 97.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.062 -0.517 . . . . 75.1 110.864 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -59.51 -47.91 83.68 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.076 -0.511 . . . . 60.11 110.971 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' A' ' 48' ' ' THR . 49.7 mt -58.4 -47.32 84.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.876 -0.602 . . . . 70.33 110.712 -177.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.523 HD11 ' HE2' ' A' ' 49' ' ' LYS . 81.7 mt -60.3 -51.56 71.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.978 -0.555 . . . . 65.41 111.104 -179.219 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -65.38 -40.4 93.48 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.76 0.281 . . . . 74.34 111.76 -177.025 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.551 ' HD3' ' HD2' ' A' ' 44' ' ' PRO . 36.0 ttm180 -62.69 -40.74 98.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.852 0.358 . . . . 72.24 110.554 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.547 ' HB3' HD13 ' A' ' 22' ' ' LEU . 65.2 mt -64.52 -45.24 88.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.106 -0.497 . . . . 65.11 110.702 175.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -58.18 -44.34 87.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 73.2 111.275 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.89 -37.56 81.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.357 -0.383 . . . . 62.15 110.972 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.411 ' CD2' HD11 ' A' ' 43' ' ' LEU . 48.3 t80 -67.95 -50.42 56.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 62.33 111.588 -179.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.5 -29.1 68.44 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.046 -0.262 . . . . 71.51 110.931 -176.404 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -55.14 -41.15 71.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.997 0.427 . . . . 62.44 110.881 178.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 115.676 -0.693 . . . . 64.31 110.665 -179.126 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.3 mt . . . . . 0 C--O 1.234 0.239 0 CA-C-O 120.707 0.289 . . . . 75.02 111.167 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.464 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 60.7 Cg_endo -75.88 151.3 35.52 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.568 2.178 . . . . 64.35 111.304 172.227 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.55 18.72 1.43 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.094 0.473 . . . . 70.33 111.146 -178.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.441 ' HB3' ' HB2' ' A' ' 28' ' ' ASP . 20.7 m120 -123.07 33.6 5.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.214 -0.448 . . . . 72.24 110.339 178.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 23' ' ' PRO . 90.9 mt -61.47 -28.93 69.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 60.05 111.279 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -81.69 -24.71 36.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.982 0.42 . . . . 65.4 110.38 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.441 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 6.6 m-20 -69.48 -28.2 65.86 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.504 -0.554 . . . . 75.34 109.504 173.277 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 88.1 mtp -73.78 155.76 38.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.475 -0.784 . . . . 73.21 110.261 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.483 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 50.5 mttp -78.52 168.81 19.23 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.236 -0.438 . . . . 72.44 111.179 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.5 t -64.71 -43.27 96.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.015 -0.539 . . . . 72.32 110.36 177.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.73 -38.08 86.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.985 -0.552 . . . . 74.4 110.594 177.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.483 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 9.2 mm-40 -56.76 -50.2 72.97 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.763 -0.653 . . . . 63.52 110.741 176.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.97 -43.9 98.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.686 -0.688 . . . . 71.23 110.589 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.512 ' HE2' ' O ' ' A' ' 45' ' ' VAL . 93.3 mttt -61.43 -40.92 96.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.113 -0.494 . . . . 72.02 111.479 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -60.43 -46.81 88.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.724 0.297 . . . . 65.03 110.322 177.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -63.58 -33.51 75.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.185 -0.461 . . . . 73.34 111.255 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.435 ' HB2' HG12 ' A' ' 45' ' ' VAL . 71.2 mt -68.4 -58.19 4.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 71.14 111.063 177.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.47 ' HE2' HG11 ' A' ' 45' ' ' VAL . 18.3 ptpt -64.46 -26.09 68.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.496 -0.32 . . . . 75.52 111.697 -173.258 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.7 mt -80.85 -10.76 59.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.71 0.29 . . . . 60.22 111.176 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 75.0 mtt85 -115.23 18.34 16.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.32 -0.4 . . . . 71.24 110.825 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t 71.41 16.83 5.94 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.689 0.618 . . . . 71.2 111.549 176.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.9 mt -94.74 144.85 28.56 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.231 -0.44 . . . . 62.01 110.967 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.542 ' HG2' ' HD3' ' A' ' 55' ' ' ARG . 28.8 Cg_endo -64.59 140.07 66.92 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.404 2.07 . . . . 64.2 111.558 174.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.512 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 23.4 m -101.27 0.25 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 112.011 0.374 . . . . 61.34 112.011 -175.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.1 m -82.41 128.44 34.25 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.899 0.38 . . . . 54.14 111.134 -178.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.08 172.57 18.93 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.017 -0.611 . . . . 72.35 111.695 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.578 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 28.8 p -85.75 179.98 6.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 117.017 0.408 . . . . 74.05 111.065 178.575 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -53.15 -55.03 27.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 71.14 111.776 -176.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.0 m -65.36 -37.87 88.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.542 -0.299 . . . . 65.14 111.284 -177.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -63.98 -41.68 97.46 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.488 -0.324 . . . . 75.34 111.35 -178.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 48' ' ' THR . 73.1 mt -63.8 -41.67 97.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.96 0.409 . . . . 73.52 110.5 179.165 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.435 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 75.9 mt -61.37 -48.48 88.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.848 -0.614 . . . . 74.21 110.315 176.722 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.43 ' OE1' ' HD3' ' A' ' 57' ' ' ARG . 2.0 tp10 -62.07 -40.5 96.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.732 -0.667 . . . . 73.34 111.082 -177.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.542 ' HD3' ' HG2' ' A' ' 44' ' ' PRO . 37.8 ttm180 -62.68 -41.91 99.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.814 -0.63 . . . . 74.25 110.616 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.9 mt -61.79 -44.16 97.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.073 -0.512 . . . . 71.41 110.337 174.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 84.0 mtp180 -60.21 -45.1 94.34 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.968 -0.56 . . . . 70.14 111.146 -179.054 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.84 -47.14 86.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.835 0.35 . . . . 41.43 110.775 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -61.39 -43.77 98.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.854 -0.612 . . . . 52.3 111.018 -179.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -71.48 -41.85 68.82 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.978 -0.556 . . . . 61.42 111.323 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -65.48 -39.9 92.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.267 -0.424 . . . . 54.41 111.758 -174.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 . . . . . 0 C--N 1.329 -0.31 0 N-CA-C 111.743 0.275 . . . . 71.41 111.743 -175.645 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.6 mt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.848 -0.427 . . . . 72.41 109.848 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.87 164.5 16.28 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.473 2.116 . . . . 71.23 111.889 174.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.23 4.64 53.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.217 0.532 . . . . 72.53 110.551 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -120.61 42.38 3.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.813 -0.63 . . . . 71.13 110.993 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.8 mt -67.43 -29.15 68.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.4 0.619 . . . . 71.55 109.422 176.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.47 -29.69 70.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.154 -0.93 . . . . 72.43 110.445 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -77.38 -26.92 52.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.619 -0.719 . . . . 63.42 110.909 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 88.2 mtp -74.46 160.26 31.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.886 -0.597 . . . . 74.31 110.963 -176.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.53 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 37.7 mttp -95.38 177.18 5.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.097 -0.501 . . . . 73.13 110.576 -178.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.434 HG13 HD11 ' A' ' 52' ' ' LEU . 84.5 t -63.05 -46.0 97.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.858 -0.61 . . . . 63.44 110.517 177.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.17 -37.88 86.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.875 -0.602 . . . . 73.01 111.194 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.53 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 5.0 mm-40 -66.61 -44.9 80.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 52.24 109.976 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 96.9 mt -66.17 -29.65 69.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.767 -0.652 . . . . 64.44 111.243 -177.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.548 ' HG2' ' HB ' ' A' ' 45' ' ' VAL . 93.0 mttt -58.91 -33.53 70.65 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.527 -0.306 . . . . 71.23 111.507 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -66.91 -42.77 84.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.649 -0.25 . . . . 72.12 110.938 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -67.56 -32.05 72.55 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.032 0.444 . . . . 74.34 110.61 178.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.514 HD13 ' HA ' ' A' ' 45' ' ' VAL . 78.9 mt -71.51 -52.79 16.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.941 -0.572 . . . . 74.04 111.094 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -60.76 -32.34 71.65 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.656 0.265 . . . . 72.22 111.706 -175.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.3 mt -76.07 -12.96 60.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.859 0.361 . . . . 62.42 111.378 -178.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 54.3 mtt-85 -117.57 15.35 14.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.264 -0.425 . . . . 73.02 110.682 -178.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.1 t 65.34 26.16 12.07 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.608 -0.723 . . . . 74.25 110.882 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.421 HD22 ' HG2' ' A' ' 55' ' ' ARG . 47.0 mt -93.8 145.58 30.14 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.022 -0.535 . . . . 73.54 111.287 -178.091 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -64.44 128.86 22.32 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.826 2.351 . . . . 72.43 112.067 176.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.548 ' HB ' ' HG2' ' A' ' 35' ' ' LYS . 27.2 m -93.17 1.35 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.908 -0.587 . . . . 73.13 111.242 -176.189 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.5 p -96.71 136.35 37.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.958 -0.564 . . . . 53.42 110.986 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 138.63 177.84 15.71 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 116.003 -0.544 . . . . 74.54 111.965 178.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.565 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 51.7 p -73.34 160.63 31.53 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.543 0.171 . . . . 73.14 110.616 178.328 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.537 ' HE2' HD11 ' A' ' 53' ' ' ILE . 87.3 tttt -56.67 -38.83 72.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.778 0.323 . . . . 72.3 110.387 178.107 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.2 m -56.22 -48.84 75.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.873 -0.603 . . . . 54.43 110.328 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -58.58 -48.65 80.24 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 115.851 -0.613 . . . . 72.42 110.727 177.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 48' ' ' THR . 49.8 mt -56.72 -51.69 67.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.348 -0.387 . . . . 75.11 111.375 -176.573 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.537 HD11 ' HE2' ' A' ' 49' ' ' LYS . 71.1 mt -62.69 -51.1 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.016 0.436 . . . . 74.14 110.991 -178.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -66.64 -33.08 74.85 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.112 -0.495 . . . . 74.5 111.656 -176.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.421 ' HG2' HD22 ' A' ' 43' ' ' LEU . 38.3 ttm180 -67.57 -40.07 84.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.293 -0.412 . . . . 64.14 110.16 178.368 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.3 mt -64.0 -46.73 83.21 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.942 -0.572 . . . . 51.42 110.5 174.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -55.67 -55.61 30.19 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 115.923 -0.58 . . . . 71.32 110.546 178.276 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.62 -35.68 74.82 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.349 0.406 . . . . 63.22 111.674 -177.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -68.05 -46.23 71.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.482 -0.326 . . . . 71.23 110.908 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.1 tm0? -79.49 -29.35 41.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.424 -0.353 . . . . 74.33 110.809 -176.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -61.18 -46.64 89.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.119 -0.491 . . . . 74.41 111.116 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.095 -0.502 . . . . 72.45 112.028 -176.204 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.569 HD13 ' HB3' ' A' ' 56' ' ' LEU . 73.8 mt . . . . . 0 C--O 1.233 0.219 0 N-CA-C 109.809 -0.441 . . . . 72.45 109.809 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.465 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 30.3 Cg_endo -64.88 136.48 49.09 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.365 2.043 . . . . 72.2 111.464 174.379 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.56 -24.73 66.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.962 0.411 . . . . 75.12 111.69 -179.001 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.555 ' HB3' ' HB2' ' A' ' 28' ' ' ASP . 18.8 m120 -83.68 53.51 2.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.362 -0.381 . . . . 74.13 111.547 -177.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 23' ' ' PRO . 79.9 mt -74.14 -20.43 60.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.351 -0.386 . . . . 74.4 111.666 -178.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -88.77 -27.5 21.1 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.406 -0.518 . . . . 61.41 110.104 178.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.555 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 11.6 m-20 -69.72 -25.44 63.85 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.486 -0.561 . . . . 72.31 109.486 173.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.409 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 86.8 mmm -69.19 141.75 54.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.472 -0.785 . . . . 71.1 109.932 172.774 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.544 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 73.7 mttt -76.95 167.49 21.74 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.159 -0.473 . . . . 62.42 110.332 -177.072 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.6 t -62.8 -47.62 92.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.932 0.396 . . . . 74.31 110.545 -178.07 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.36 -35.7 81.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.899 -0.591 . . . . 62.45 111.079 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.544 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 5.0 mm-40 -69.13 -38.01 78.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.019 -0.537 . . . . 62.42 110.601 -178.494 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 96.7 mt -63.61 -41.46 98.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.154 0.502 . . . . 75.03 110.069 175.434 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.567 ' HA ' HD12 ' A' ' 38' ' ' LEU . 99.4 mttt -68.6 -22.29 64.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.723 -0.672 . . . . 62.34 111.398 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -68.72 -40.03 80.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.836 0.351 . . . . 65.33 110.279 175.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -74.13 -36.54 64.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.293 -0.412 . . . . 64.1 110.096 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.567 HD12 ' HA ' ' A' ' 35' ' ' LYS . 91.5 mt -58.7 -54.26 49.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.799 -0.637 . . . . 62.55 111.202 178.632 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 12.5 ptpt -60.16 -33.91 72.84 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.746 0.308 . . . . 71.42 111.743 -176.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.9 mt -77.05 -24.52 51.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.593 -0.276 . . . . 70.04 111.392 -176.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -108.4 22.97 15.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.598 -0.274 . . . . 71.24 111.298 -176.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.9 m 64.28 33.27 11.68 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.026 -0.534 . . . . 53.01 111.716 175.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.412 ' HB3' HD22 ' A' ' 38' ' ' LEU . 46.1 mt -109.92 142.58 26.16 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.113 -0.494 . . . . 73.15 110.663 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.425 ' HD2' ' HD3' ' A' ' 55' ' ' ARG . 17.1 Cg_exo -68.02 152.49 76.66 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.004 2.469 . . . . 73.12 111.93 177.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.537 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 35.3 m -106.93 2.21 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.083 -0.508 . . . . 72.44 111.48 -175.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.8 t -83.64 146.09 28.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.32 -0.4 . . . . 73.12 110.699 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.1 175.42 14.38 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 116.057 -0.519 . . . . 60.24 111.807 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.572 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 26.9 p -81.27 167.92 19.03 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.169 -0.308 . . . . 71.42 110.169 176.618 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.467 ' O ' HG13 ' A' ' 53' ' ' ILE . 64.5 tttm -58.05 -43.86 87.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.749 0.309 . . . . 73.32 110.656 -178.509 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.7 m -58.41 -45.02 89.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 74.12 110.906 179.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -65.57 -40.14 92.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 74.4 111.1 -178.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 48' ' ' THR . 81.0 mt -60.09 -42.6 94.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.932 0.396 . . . . 71.55 110.05 177.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 49' ' ' LYS . 87.4 mt -61.71 -50.08 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.64 -0.709 . . . . 74.13 110.757 178.205 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 57' ' ' ARG . 42.6 mt-10 -70.18 -30.33 67.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.337 -0.392 . . . . 65.23 111.478 -177.438 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.425 ' HD3' ' HD2' ' A' ' 44' ' ' PRO . 48.6 ttm-85 -61.6 -46.36 90.17 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.423 -0.584 . . . . 73.12 109.423 175.255 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.569 ' HB3' HD13 ' A' ' 22' ' ' LEU . 68.4 mt -58.49 -48.77 79.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.756 -0.656 . . . . 75.2 110.732 175.641 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.418 ' HD3' ' HA ' ' A' ' 54' ' ' GLU . 79.1 mtp180 -55.84 -51.8 66.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.724 -0.671 . . . . 73.04 111.293 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.93 -44.16 93.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.961 -0.563 . . . . 44.55 111.409 -177.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -65.72 -43.04 90.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.394 -0.366 . . . . 75.52 111.269 -177.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.546 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 23.4 tm0? -68.46 -37.87 80.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.832 0.349 . . . . 75.02 110.722 -178.271 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -68.16 -29.05 67.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.462 -0.336 . . . . 65.11 110.887 -175.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 . . . . . 0 C--O 1.233 0.231 0 CA-C-O 120.686 0.279 . . . . 73.44 111.209 178.674 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.548 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 67.8 mt . . . . . 0 C--O 1.234 0.237 0 N-CA-C 110.28 -0.267 . . . . 71.32 110.28 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -71.54 150.27 57.1 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.399 2.066 . . . . 75.24 110.91 168.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.72 13.85 9.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.878 0.37 . . . . 54.23 111.528 -175.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.44 ' HB3' ' HB3' ' A' ' 28' ' ' ASP . 87.6 m-20 -124.19 42.37 3.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.289 -0.414 . . . . 74.54 110.528 -176.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.9 mt -58.63 -35.29 72.25 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.383 0.512 . . . . 75.11 112.383 -175.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -82.31 -18.94 40.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.002 0.429 . . . . 61.11 110.923 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.44 ' HB3' ' HB3' ' A' ' 25' ' ' ASN . 11.7 t70 -80.98 -14.42 57.97 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.688 0.756 . . . . 72.52 109.349 177.704 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 81.0 mtp -84.94 166.28 16.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.778 -1.101 . . . . 62.11 109.737 175.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.567 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 58.2 mttp -83.37 172.43 12.5 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.845 0.355 . . . . 75.12 110.557 -177.694 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.508 HG12 ' HE3' ' A' ' 35' ' ' LYS . 45.5 t -69.06 -38.47 78.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.075 0.464 . . . . 70.35 110.045 179.022 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.85 -36.8 85.12 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.755 -0.657 . . . . 73.24 110.523 177.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.567 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 56.5 mm-40 -60.25 -49.8 76.18 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.934 -0.575 . . . . 63.54 110.464 178.068 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.7 mt -59.95 -41.54 92.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.997 -0.547 . . . . 61.23 111.259 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.508 ' HE3' HG12 ' A' ' 31' ' ' VAL . 95.7 mttt -60.01 -41.0 91.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 72.52 110.683 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -64.03 -47.14 81.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 74.14 110.72 176.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.413 ' HA ' ' OE1' ' A' ' 37' ' ' GLU . 6.7 mm-40 -57.52 -36.05 71.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 52.15 110.962 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.436 ' CD1' HD22 ' A' ' 52' ' ' LEU . 81.6 mt -69.44 -58.67 3.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.052 -0.522 . . . . 54.3 111.469 178.385 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -66.76 -26.91 67.2 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.152 0.427 . . . . 74.01 112.152 -172.1 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.3 mt -71.72 -12.32 61.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.819 0.342 . . . . 43.33 110.702 177.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 80.1 mtt85 -122.56 22.91 9.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 74.51 110.848 -178.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.8 m 61.81 38.57 14.69 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.735 -0.666 . . . . 71.14 111.72 176.778 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.439 HD21 ' HB2' ' A' ' 59' ' ' TYR . 43.6 mt -111.78 145.63 33.08 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.168 -0.469 . . . . 74.54 110.993 178.405 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.3 142.2 49.31 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.785 2.323 . . . . 74.11 111.914 176.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.1 m -101.81 9.7 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.252 -0.431 . . . . 70.14 111.199 -176.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.0 m -81.7 108.26 15.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.194 -0.457 . . . . 73.44 110.944 -179.009 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 165.91 -172.53 41.34 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.831 -0.7 . . . . 55.12 112.453 178.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.68 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 27.9 p -97.49 -176.55 3.53 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.171 -0.307 . . . . 72.14 110.171 176.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.437 ' O ' HG13 ' A' ' 53' ' ' ILE . 23.5 tptm -54.6 -46.96 73.9 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.97 0.414 . . . . 72.12 110.335 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.8 m -70.29 -40.81 74.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.825 -0.625 . . . . 71.33 111.431 -177.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -59.61 -43.06 93.89 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.61 -0.268 . . . . 75.33 111.091 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.68 ' HG ' ' O ' ' A' ' 48' ' ' THR . 52.1 mt -65.4 -41.68 93.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 63.33 110.866 -177.487 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 49' ' ' LYS . 89.1 mt -60.17 -53.51 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.062 -0.517 . . . . 73.41 110.764 179.08 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.476 ' OE1' ' HD3' ' A' ' 57' ' ' ARG . 6.8 mm-40 -68.36 -28.42 67.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.752 -0.658 . . . . 71.04 111.335 -176.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.423 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -61.55 -43.94 97.95 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.122 0.487 . . . . 63.02 109.968 177.667 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.459 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . 65.6 mt -61.73 -46.42 89.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.539 -0.755 . . . . 70.4 110.874 177.585 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.476 ' HD3' ' OE1' ' A' ' 54' ' ' GLU . 69.7 mtp180 -68.34 -31.75 71.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.706 -0.679 . . . . 73.4 111.213 -175.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.11 -40.8 74.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.847 0.356 . . . . 62.15 110.783 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.439 ' HB2' HD21 ' A' ' 43' ' ' LEU . 54.6 t80 -69.91 -51.06 36.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.066 -0.516 . . . . 73.02 111.021 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.548 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 69.9 mm-40 -57.92 -34.55 69.98 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.374 0.509 . . . . 62.15 112.374 -176.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -68.18 -44.81 75.06 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.816 0.341 . . . . 73.35 111.279 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 . . . . . 0 C--N 1.327 -0.371 0 N-CA-C 111.956 0.354 . . . . 45.33 111.956 -174.2 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--O 1.233 0.198 0 N-CA-C 110.488 -0.19 . . . . 72.11 110.488 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.15 169.8 21.61 Favored 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 122.372 2.048 . . . . 54.21 111.332 172.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.21 -17.46 29.03 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.898 0.38 . . . . 75.23 111.096 -177.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.476 ' HB3' ' HB3' ' A' ' 28' ' ' ASP . 3.2 m-20 -90.93 33.46 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.132 -0.486 . . . . 73.33 111.645 -173.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.5 mt -59.03 -36.54 75.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.841 0.353 . . . . 70.24 111.766 -177.191 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -84.83 -15.93 43.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.809 0.338 . . . . 74.55 110.922 -177.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.476 ' HB3' ' HB3' ' A' ' 25' ' ' ASN . 13.5 t70 -84.14 -35.75 23.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.965 -0.561 . . . . 73.11 110.307 178.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.411 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 81.9 mtp -62.42 157.46 19.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.434 -0.803 . . . . 71.14 110.906 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.52 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 38.6 mttp -72.49 178.73 3.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.137 0.494 . . . . 72.33 110.757 179.156 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.0 t -70.17 -44.54 77.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.802 -0.635 . . . . 74.03 109.599 176.053 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.577 ' O ' ' HG2' ' A' ' 36' ' ' GLN . . . -64.07 -34.65 78.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.866 -0.606 . . . . 71.14 110.974 178.58 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.52 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 69.6 mm-40 -61.88 -41.66 98.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.867 0.365 . . . . 62.2 110.707 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.3 mt -67.35 -38.57 85.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 63.15 110.173 178.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.595 ' HE2' ' O ' ' A' ' 45' ' ' VAL . 97.8 mttt -63.06 -30.34 71.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.844 -0.616 . . . . 61.24 110.972 177.56 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.577 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 91.8 mm-40 -60.89 -48.05 83.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.359 -0.382 . . . . 75.44 110.112 177.088 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -62.96 -43.5 98.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 64.11 110.548 178.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 35' ' ' LYS . 89.3 mt -57.12 -57.07 14.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.658 -0.701 . . . . 65.1 111.476 -179.281 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -65.3 -32.87 74.75 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.622 0.23 . . . . 73.22 111.622 -174.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 36' ' ' GLN . 85.6 mt -71.93 -28.34 63.41 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.625 0.25 . . . . 74.1 111.156 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -103.84 14.27 31.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.604 -0.271 . . . . 72.04 110.82 -178.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.1 m 63.56 73.07 0.46 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.32 0.581 . . . . 65.1 111.429 179.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.454 HD13 HD23 ' A' ' 38' ' ' LEU . 22.5 mt -143.05 156.61 61.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.59 -0.732 . . . . 74.21 110.197 -178.388 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -66.57 128.8 19.81 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.575 2.183 . . . . 42.23 111.69 175.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.595 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 29.0 m -99.47 -7.22 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.439 -0.346 . . . . 61.44 111.316 -175.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.3 t -76.57 129.62 36.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.806 0.336 . . . . 72.52 110.261 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 150.95 -163.94 29.86 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.873 -0.679 . . . . 60.54 112.41 178.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.664 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 19.5 p -115.45 174.98 5.72 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 122.2 0.2 . . . . 65.15 110.519 179.694 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.523 ' HE2' HD11 ' A' ' 53' ' ' ILE . 24.1 tptm -48.66 -56.36 8.71 Favored 'General case' 0 C--N 1.331 -0.237 0 O-C-N 123.459 0.474 . . . . 72.24 111.242 178.331 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.9 m -62.73 -38.5 90.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.194 -0.457 . . . . 72.23 111.373 -177.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.463 ' HB2' ' H ' ' A' ' 48' ' ' THR . 1.0 OUTLIER -59.55 -47.18 86.56 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.353 -0.385 . . . . 50.31 110.714 178.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' A' ' 48' ' ' THR . 34.2 mt -69.22 -38.35 78.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.958 -0.564 . . . . 53.12 111.31 -175.302 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.523 HD11 ' HE2' ' A' ' 49' ' ' LYS . 81.9 mt -57.76 -52.77 53.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.859 0.361 . . . . 75.4 110.735 179.002 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -63.63 -36.73 84.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.936 -0.574 . . . . 71.52 110.835 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 45.9 ttm-85 -65.51 -40.5 93.06 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.032 -0.531 . . . . 74.41 110.907 -178.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.44 -41.96 96.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.762 0.315 . . . . 54.14 110.658 176.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 83.5 mtp180 -59.96 -46.5 89.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.51 . . . . 64.34 110.636 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.87 -41.28 95.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 74.21 110.829 179.029 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.5 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 34.7 t80 -61.78 -51.59 67.69 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.835 -0.62 . . . . 74.43 111.528 -179.394 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -65.64 -30.74 71.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.999 0.428 . . . . 72.44 111.055 -176.608 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -71.54 -43.64 66.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.352 -0.386 . . . . 52.12 111.106 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 59' ' ' TYR . 13.6 pt20 . . . . . 0 C--N 1.334 -0.107 0 CA-C-O 120.783 0.325 . . . . 73.01 110.507 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.548 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 82.1 mt . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 109.904 -0.406 . . . . 73.11 109.904 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.476 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 37.8 Cg_endo -68.64 126.93 14.72 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.865 1.71 . . . . 70.34 110.608 173.065 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.59 -23.9 63.32 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.91 0.386 . . . . 54.34 111.618 -176.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.454 ' HB3' ' HB2' ' A' ' 28' ' ' ASP . 16.4 m120 -84.24 45.45 1.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.948 -0.569 . . . . 75.14 111.62 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.563 ' HB2' HG23 ' A' ' 53' ' ' ILE . 95.4 mt -64.21 -25.63 68.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.433 0.635 . . . . 70.35 110.192 176.432 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -75.71 -25.34 56.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.57 -0.741 . . . . 73.14 110.548 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.454 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 4.7 m-20 -83.96 -7.57 59.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.178 0.513 . . . . 74.14 110.303 177.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 86.6 mtp -92.01 172.66 8.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.708 -0.678 . . . . 73.21 110.159 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.565 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 15.0 mtpp -93.48 155.46 17.33 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.399 -0.364 . . . . 54.55 110.517 -177.328 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.8 t -58.12 -44.24 87.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 53.44 111.163 -178.064 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.38 -36.35 83.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.439 -0.346 . . . . 74.42 111.046 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.565 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 7.4 mm-40 -65.63 -39.99 92.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 53.31 110.497 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.8 mt -64.32 -43.27 95.19 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.716 -0.674 . . . . 71.05 109.86 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.573 ' HA ' HD12 ' A' ' 38' ' ' LEU . 92.0 mttt -66.01 -23.09 66.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.55 -0.75 . . . . 74.51 111.71 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.414 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 63.6 mm-40 -60.37 -57.33 13.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.484 0.183 . . . . 34.34 110.537 176.063 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -66.28 -28.85 69.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.387 -0.369 . . . . 63.34 110.591 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.573 HD12 ' HA ' ' A' ' 35' ' ' LYS . 75.7 mt -64.47 -59.42 4.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.025 -0.534 . . . . 74.31 110.945 175.364 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -63.23 -32.47 73.89 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.663 -0.244 . . . . 70.23 111.479 -174.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 36' ' ' GLN . 89.5 mt -66.16 -30.81 71.36 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.846 0.355 . . . . 75.3 110.872 178.418 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 81.9 mtt-85 -100.42 11.13 40.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.356 -0.384 . . . . 75.45 110.541 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.3 m 62.02 26.19 15.78 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.386 0.612 . . . . 74.23 111.321 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.452 HD13 HD23 ' A' ' 38' ' ' LEU . 30.2 mt -79.09 155.04 77.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.543 -0.753 . . . . 73.32 110.566 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -69.98 112.86 3.23 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.612 2.208 . . . . 71.12 112.213 178.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.1 m -85.25 -3.64 8.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.981 -0.554 . . . . 64.52 110.173 176.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.0 m -70.75 135.59 48.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.434 -0.803 . . . . 42.43 110.772 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.5 -170.58 15.25 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.647 -0.787 . . . . 63.31 111.941 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.534 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 65.2 p -94.23 169.39 10.27 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.617 0.246 . . . . 61.25 110.963 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.427 ' O ' HG13 ' A' ' 53' ' ' ILE . 87.2 tttt -54.81 -41.79 71.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.003 -0.544 . . . . 63.32 110.935 178.058 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.8 m -57.94 -40.92 81.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.089 0.471 . . . . 62.43 110.782 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.8 -46.21 72.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.949 -0.569 . . . . 45.22 111.015 178.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 48' ' ' THR . 58.5 mt -58.46 -42.01 86.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.0 -0.545 . . . . 51.24 111.106 -176.521 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.563 HG23 ' HB2' ' A' ' 26' ' ' LEU . 84.4 mt -61.01 -53.98 41.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.072 -0.513 . . . . 73.31 110.81 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -67.04 -34.06 76.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.95 -0.568 . . . . 75.24 111.308 -177.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -63.41 -46.87 84.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.863 0.363 . . . . 75.44 110.359 178.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.512 ' HB3' HD13 ' A' ' 22' ' ' LEU . 40.6 mt -59.65 -45.05 93.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.988 -0.551 . . . . 74.13 110.511 175.596 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -60.67 -51.17 70.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.99 -0.55 . . . . 65.41 111.586 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.25 -31.72 71.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.988 0.423 . . . . 74.32 111.452 -178.128 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -76.14 -46.39 28.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.158 -0.474 . . . . 75.55 110.741 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.548 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 1.1 tm0? -72.58 -34.99 67.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.741 -0.209 . . . . 60.52 111.248 -176.695 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -60.46 -39.12 86.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.359 -0.382 . . . . 64.14 111.148 -177.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.397 -0.365 . . . . 64.52 111.198 -178.747 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.582 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 71.9 mt . . . . . 0 C--O 1.235 0.339 0 CA-C-O 120.594 0.235 . . . . 74.34 110.983 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.628 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 41.8 Cg_endo -69.2 139.88 43.33 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.222 1.948 . . . . 73.33 110.895 171.183 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.69 4.45 4.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.915 0.388 . . . . 54.53 111.888 -176.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -105.8 16.9 24.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.46 -0.336 . . . . 74.52 111.005 -177.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 23' ' ' PRO . 86.3 mt -53.38 -45.2 69.16 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.373 -0.376 . . . . 63.03 111.776 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -64.85 -26.83 68.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 70.22 111.433 -177.269 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -86.53 -32.17 20.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.108 -0.496 . . . . 74.0 111.538 -176.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 55.3 mtm -67.35 161.21 25.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.25 0.547 . . . . 74.03 111.741 -175.095 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.563 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 0.3 OUTLIER -81.61 162.75 22.98 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.371 -0.831 . . . . 74.51 110.381 -178.112 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.2 t -55.3 -40.73 58.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 73.45 111.045 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.49 -35.73 81.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 62.12 111.398 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.563 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 2.3 mm-40 -68.15 -41.54 81.43 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.354 -0.61 . . . . 64.13 109.354 -179.376 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.81 -44.24 97.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.324 -0.853 . . . . 64.52 110.62 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.555 ' HE2' ' O ' ' A' ' 45' ' ' VAL . 95.5 mttt -63.88 -29.53 70.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.05 -0.523 . . . . 73.15 110.974 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.445 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 12.1 mm100 -63.75 -41.66 97.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.481 -0.327 . . . . 74.41 110.756 176.356 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.561 ' HB3' ' NH1' ' A' ' 41' ' ' ARG . 27.1 mt-10 -73.96 -41.27 62.23 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.946 -0.302 . . . . 74.44 111.032 178.378 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.551 HD13 ' HA ' ' A' ' 45' ' ' VAL . 58.5 mt -54.07 -54.04 44.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 73.44 111.299 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -60.78 -30.75 70.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.462 -0.335 . . . . 71.01 111.406 -177.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 36' ' ' GLN . 92.6 mt -78.46 -27.07 46.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.521 -0.308 . . . . 71.15 110.955 -179.119 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.568 HH11 HD22 ' A' ' 56' ' ' LEU . 63.8 mtt180 -99.05 16.87 21.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.398 -0.365 . . . . 74.41 111.075 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.8 t 65.67 30.7 10.24 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.268 0.556 . . . . 70.41 111.012 175.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.426 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 20.9 mt -108.85 148.13 37.22 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.779 -0.646 . . . . 62.42 111.013 -178.7 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 43' ' ' LEU . 33.5 Cg_exo -62.31 141.65 88.29 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.849 2.366 . . . . 73.2 111.544 174.498 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.555 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 34.3 m -103.19 -19.94 5.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.204 -0.453 . . . . 72.24 111.427 -174.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.4 m -78.44 107.06 10.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.201 0.524 . . . . 73.11 111.582 -177.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 177.24 -172.89 45.77 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 111.247 -0.741 . . . . 52.04 111.247 178.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.65 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 71.7 p -90.5 159.14 16.66 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.917 -0.401 . . . . 71.31 109.917 177.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -50.21 -46.54 54.65 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 123.415 0.447 . . . . 74.21 111.637 -177.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.3 m -61.55 -50.1 74.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.604 -0.271 . . . . 75.31 111.171 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -61.54 -38.46 87.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.61 -0.268 . . . . 73.22 111.256 -177.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' A' ' 48' ' ' THR . 58.1 mt -61.15 -47.06 87.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.762 0.315 . . . . 51.22 110.539 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.459 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 84.9 mt -63.04 -49.04 85.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 72.42 110.691 178.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.25 -40.3 89.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.98 -0.555 . . . . 73.44 111.611 -179.16 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.8 ttt85 -66.31 -36.15 82.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.404 -0.362 . . . . 70.43 110.684 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.568 HD22 HH11 ' A' ' 41' ' ' ARG . 82.0 mt -61.52 -44.05 97.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.166 0.508 . . . . 61.13 110.373 175.75 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 68.6 mtp180 -66.13 -42.66 88.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.687 -0.688 . . . . 72.45 110.663 -178.246 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.55 -36.15 81.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 73.22 111.112 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -61.41 -54.69 40.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.047 -0.524 . . . . 73.44 110.624 178.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.582 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 10.1 mm100 -62.86 -35.77 81.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.296 -0.411 . . . . 71.42 111.901 -179.432 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -62.61 -43.49 98.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 63.22 111.775 -176.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.494 -0.321 . . . . 64.41 111.55 -176.07 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.517 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 97.3 mt . . . . . 0 CA--C 1.52 -0.177 0 N-CA-C 110.529 -0.174 . . . . 64.55 110.529 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.429 ' HG2' ' CD2' ' A' ' 26' ' ' LEU . 19.1 Cg_endo -62.22 141.16 87.0 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 121.996 1.797 . . . . 60.51 110.84 169.277 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.45 -35.71 80.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.259 -0.428 . . . . 72.33 111.552 -176.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -101.83 97.67 8.01 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.935 -0.575 . . . . 73.11 110.726 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.429 ' CD2' ' HG2' ' A' ' 23' ' ' PRO . 84.6 mt -97.09 -28.34 14.17 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.139 -0.482 . . . . 72.21 110.176 176.513 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -71.19 -19.64 62.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.843 -0.617 . . . . 62.21 110.587 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -86.8 -18.35 31.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.063 -0.517 . . . . 70.2 110.44 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 94.2 mmm -72.65 153.51 41.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.83 -0.623 . . . . 73.22 109.601 178.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.548 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 61.8 mttp -85.39 169.27 13.85 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 110.166 -0.309 . . . . 74.02 110.166 179.171 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.9 t -62.15 -42.16 94.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.156 0.503 . . . . 75.41 109.925 179.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.418 ' O ' ' HG2' ' A' ' 36' ' ' GLN . . . -64.74 -37.89 89.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.69 -0.686 . . . . 71.21 110.628 177.218 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.548 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 41.5 mm-40 -66.82 -38.54 86.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.043 -0.526 . . . . 70.01 110.806 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 79.2 mt -63.56 -42.96 98.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.999 -0.546 . . . . 72.33 109.838 176.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.524 ' HA ' HD12 ' A' ' 38' ' ' LEU . 97.3 mttt -67.15 -26.22 66.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.794 -0.639 . . . . 74.31 111.152 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 15.6 mm100 -60.61 -50.5 73.26 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.967 -0.382 . . . . 73.31 109.967 174.127 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -60.74 -44.08 97.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.234 -0.439 . . . . 70.4 110.461 176.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.591 HD13 ' HA ' ' A' ' 45' ' ' VAL . 91.1 mt -58.94 -49.02 79.42 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.157 -0.474 . . . . 51.22 111.731 -177.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -69.77 -25.65 63.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.813 0.34 . . . . 75.24 111.549 -176.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 36' ' ' GLN . 84.3 mt -86.78 -36.32 18.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.949 0.404 . . . . 75.24 111.73 -178.25 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -98.83 12.61 35.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.39 -0.368 . . . . 65.11 111.163 -174.069 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.6 m 64.39 72.61 0.45 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.529 0.68 . . . . 54.02 111.266 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.448 ' HB2' ' HA ' ' A' ' 38' ' ' LEU . 16.4 mt -146.14 143.43 19.28 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.281 -0.872 . . . . 74.11 110.187 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.508 ' HD2' ' HD3' ' A' ' 55' ' ' ARG . 27.0 Cg_exo -63.26 137.0 58.58 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.662 2.241 . . . . 71.42 112.142 177.172 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.591 ' HA ' HD13 ' A' ' 38' ' ' LEU . 33.3 m -94.43 5.63 7.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.213 -0.449 . . . . 75.32 111.058 -177.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.7 t -81.16 132.39 35.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.044 -0.525 . . . . 72.51 109.957 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 132.61 160.94 9.76 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 111.69 -0.564 . . . . 75.31 111.69 -178.153 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.499 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 32.1 p -78.14 170.35 16.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.561 0.181 . . . . 43.14 110.585 177.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.458 ' O ' HG13 ' A' ' 53' ' ' ILE . 87.6 tttt -48.35 -56.38 8.27 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.356 0.41 . . . . 63.11 112.001 -176.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.8 m -63.3 -33.59 75.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.589 0.233 . . . . 72.05 111.326 -177.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -69.34 -39.49 78.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.619 0.247 . . . . 63.21 110.56 178.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 48' ' ' THR . 83.3 mt -63.71 -42.73 97.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 73.23 109.898 176.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.528 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 76.9 mt -58.61 -49.13 83.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.86 -0.609 . . . . 64.24 110.533 175.482 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -63.4 -37.15 86.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.459 . . . . 72.24 111.388 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.508 ' HD3' ' HD2' ' A' ' 44' ' ' PRO . 45.6 ttm-85 -62.45 -40.97 98.33 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.839 -0.43 . . . . 61.15 109.839 178.364 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.455 ' O ' HD11 ' A' ' 22' ' ' LEU . 85.3 mt -64.32 -47.78 78.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.932 -0.576 . . . . 75.32 110.408 175.443 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.528 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 35.5 mtp180 -60.12 -43.1 95.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.929 -0.578 . . . . 72.22 110.999 -178.404 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.92 -36.59 83.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.955 0.407 . . . . 74.15 110.649 177.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.408 ' CD1' HD21 ' A' ' 43' ' ' LEU . 63.8 t80 -62.28 -39.73 93.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.776 -0.647 . . . . 73.43 110.647 179.313 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.517 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 4.9 tm0? -81.43 -26.54 35.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.074 0.464 . . . . 72.41 110.141 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -60.29 -46.32 90.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.513 . . . . 74.5 110.733 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 72.45 111.302 179.909 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.554 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 94.5 mt . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.407 -0.219 . . . . 62.51 110.407 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -64.62 148.55 90.42 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.193 1.929 . . . . 74.24 110.927 174.055 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.21 -34.3 78.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.92 0.391 . . . . 74.11 111.096 -178.563 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.543 ' HB3' ' HB3' ' A' ' 28' ' ' ASP . 2.9 m-20 -85.75 79.18 9.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.168 -0.469 . . . . 72.35 110.341 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.3 mt -95.66 -45.44 7.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.093 -0.503 . . . . 73.43 110.289 177.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -73.11 -24.74 60.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.855 -0.611 . . . . 73.11 110.081 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.543 ' HB3' ' HB3' ' A' ' 25' ' ' ASN . 25.2 t70 -73.71 -23.06 59.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.429 -0.805 . . . . 71.52 111.003 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.533 ' HB3' ' HB2' ' A' ' 33' ' ' GLU . 48.3 mtm -83.6 146.04 28.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.741 0.305 . . . . 72.23 110.323 179.496 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.482 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 55.5 mttp -65.31 164.08 14.22 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.935 -0.575 . . . . 73.34 111.459 178.261 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.3 t -56.98 -38.48 60.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.619 -0.719 . . . . 74.31 109.978 175.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.31 -43.45 98.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.171 -0.922 . . . . 72.41 111.242 178.039 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.533 ' HB2' ' HB3' ' A' ' 29' ' ' MET . 8.2 mm-40 -66.29 -37.63 85.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.405 . . . . 72.53 110.744 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.89 -43.51 98.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.018 -0.537 . . . . 72.41 110.26 176.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.536 ' HA ' HD12 ' A' ' 38' ' ' LEU . 98.4 mttt -65.58 -26.43 67.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.908 -0.587 . . . . 74.31 111.504 -178.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -59.36 -48.76 80.4 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.953 0.406 . . . . 74.44 110.163 175.048 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -67.76 -44.97 76.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.946 -0.57 . . . . 72.53 111.012 178.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.559 HD13 ' HA ' ' A' ' 45' ' ' VAL . 80.7 mt -54.7 -53.29 56.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 73.35 111.46 -178.342 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -66.04 -27.41 68.08 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.51 -0.313 . . . . 71.3 111.621 -174.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 71.5 mt -84.8 -32.05 23.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.984 0.421 . . . . 63.44 111.43 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -105.72 35.23 2.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.309 -0.405 . . . . 73.04 111.254 -172.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.9 m 63.16 27.88 15.78 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.907 -0.588 . . . . 73.1 112.553 170.272 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.571 HD21 ' HB2' ' A' ' 59' ' ' TYR . 44.6 mt -111.32 144.31 30.22 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-O 121.013 0.435 . . . . 74.41 111.905 -176.144 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.456 ' HG2' ' HD3' ' A' ' 55' ' ' ARG . 38.1 Cg_endo -68.54 132.69 25.97 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.584 2.19 . . . . 64.32 111.831 175.078 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.559 ' HA ' HD13 ' A' ' 38' ' ' LEU . 26.8 m -89.36 7.26 3.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.044 -0.525 . . . . 75.23 111.08 -177.405 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.5 p -88.81 122.3 32.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.05 -0.523 . . . . 22.25 110.789 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 152.1 170.91 19.26 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.618 -0.801 . . . . 34.32 112.181 178.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.525 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 73.3 p -81.1 177.19 9.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.529 0.204 . . . . 74.21 110.559 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -54.18 -46.02 72.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.353 -0.385 . . . . 74.31 110.585 178.13 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.6 m -66.74 -44.09 82.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 74.41 110.996 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -58.63 -46.85 86.18 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-N 116.161 -0.472 . . . . 45.43 111.952 -178.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 48' ' ' THR . 53.4 mt -63.27 -37.95 89.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.728 0.299 . . . . 73.0 111.229 -176.564 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 77.8 mt -66.28 -44.67 91.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.948 0.404 . . . . 64.52 110.582 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -67.78 -32.24 72.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.302 -0.408 . . . . 72.11 110.355 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.456 ' HD3' ' HG2' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -61.07 -45.79 93.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.865 -0.607 . . . . 61.13 109.687 177.384 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.8 mt -60.43 -46.27 90.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.668 -0.696 . . . . 74.21 110.469 176.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -61.59 -40.97 96.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.796 -0.638 . . . . 72.33 111.325 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.42 -33.8 76.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.381 -0.372 . . . . 53.41 111.029 178.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.571 ' HB2' HD21 ' A' ' 43' ' ' LEU . 68.8 t80 -72.47 -41.99 65.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.433 -0.349 . . . . 73.42 110.525 178.033 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.554 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 19.0 tm0? -65.24 -34.38 78.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.106 0.479 . . . . 73.14 109.874 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -60.14 -43.51 95.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.922 -0.581 . . . . 64.42 110.756 177.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.027 -0.533 . . . . 64.11 111.774 -177.298 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.788 HD13 HD11 ' A' ' 26' ' ' LEU . 95.4 mt . . . . . 0 C--O 1.234 0.287 0 CA-C-O 120.546 0.212 . . . . 74.32 110.901 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.417 ' HD2' HD21 ' A' ' 26' ' ' LEU . 39.5 Cg_endo -69.58 -173.22 0.65 Allowed 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.531 2.154 . . . . 55.54 111.582 172.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.51 -49.07 9.61 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.889 0.376 . . . . 63.44 111.059 -176.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -104.51 89.61 3.27 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.096 0.474 . . . . 71.55 111.901 -176.611 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.788 HD11 HD13 ' A' ' 22' ' ' LEU . 95.9 mt -79.81 -21.95 43.64 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.447 0.642 . . . . 73.24 109.858 172.617 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.438 ' HA ' HD13 ' A' ' 53' ' ' ILE . 9.6 p-10 -80.21 -20.48 44.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.298 -0.865 . . . . 72.32 110.996 -176.529 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -80.65 -30.46 36.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.957 -0.565 . . . . 60.01 111.222 -175.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 66.0 mtm -70.2 163.46 26.35 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.032 0.444 . . . . 74.41 111.194 -177.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.559 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 65.2 mttt -73.11 168.14 19.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.782 -0.645 . . . . 72.34 110.256 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.414 ' O ' ' HG3' ' A' ' 35' ' ' LYS . 61.0 t -67.86 -35.18 71.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.119 0.485 . . . . 74.04 109.84 178.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.87 -36.81 85.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.704 -0.68 . . . . 53.24 110.915 178.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.559 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 15.8 mm-40 -66.49 -40.32 89.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.18 0.514 . . . . 72.52 109.961 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.53 -42.09 99.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.545 -0.752 . . . . 72.01 110.254 177.624 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.543 ' HA ' HD12 ' A' ' 38' ' ' LEU . 96.3 mttt -60.3 -34.46 73.81 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.027 -0.533 . . . . 64.05 111.162 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -62.14 -46.08 90.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.658 0.265 . . . . 71.1 110.719 178.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -65.58 -28.86 69.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.038 0.446 . . . . 72.22 110.942 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.559 HD13 ' HA ' ' A' ' 45' ' ' VAL . 49.2 mt -78.13 -50.94 11.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.809 -0.632 . . . . 34.24 111.239 -179.319 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -65.22 -25.64 67.78 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.453 -0.34 . . . . 64.31 111.517 -174.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 87.7 mt -79.98 -10.64 59.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.769 0.319 . . . . 75.55 111.138 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 58.2 mtt85 -125.34 17.65 8.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.57 -0.286 . . . . 62.52 111.327 -176.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.8 m 62.34 30.8 17.49 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.086 -0.506 . . . . 72.45 111.414 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.2 mt -96.63 149.56 35.96 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 116.107 -0.497 . . . . 75.15 110.756 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.548 ' HD2' ' HD3' ' A' ' 55' ' ' ARG . 25.7 Cg_exo -63.94 123.13 11.44 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.905 2.403 . . . . 52.53 112.182 175.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.559 ' HA ' HD13 ' A' ' 38' ' ' LEU . 33.1 m -94.25 -7.8 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 72.13 111.1 -178.19 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.1 t -87.71 157.45 19.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.998 -0.547 . . . . 74.42 110.056 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.96 -166.76 12.46 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.889 -0.672 . . . . 52.55 111.8 -178.662 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.475 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 36.3 p -83.91 166.62 17.7 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 110.389 -0.226 . . . . 73.04 110.389 178.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.419 ' O ' HG13 ' A' ' 53' ' ' ILE . 88.5 tttt -63.37 -38.2 90.24 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.775 -0.454 . . . . 65.44 109.775 177.367 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.6 m -56.63 -41.07 76.5 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.995 -0.548 . . . . 61.31 110.737 177.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -59.03 -53.66 55.92 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.982 -0.554 . . . . 65.32 110.807 176.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 48' ' ' THR . 23.2 mt -61.57 -46.63 89.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.795 -0.639 . . . . 74.23 111.476 -173.516 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.466 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 92.4 mt -56.14 -54.41 27.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 115.946 -0.57 . . . . 73.23 111.581 -178.269 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -77.52 -24.73 49.94 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.24 -0.437 . . . . 74.22 111.611 -173.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.548 ' HD3' ' HD2' ' A' ' 44' ' ' PRO . 26.8 ttm180 -64.28 -38.21 90.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.141 0.496 . . . . 64.31 109.855 175.792 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.79 -44.68 92.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.721 -0.672 . . . . 62.22 110.095 174.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 51.7 mtp180 -58.99 -50.78 72.8 Favored 'General case' 0 CA--C 1.522 -0.121 0 CA-C-N 115.92 -0.582 . . . . 74.2 110.283 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.22 -36.44 79.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.937 -0.574 . . . . 73.1 111.71 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -69.07 -43.17 75.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.299 -0.41 . . . . 74.34 110.529 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.528 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 23.4 tm0? -74.21 -30.9 62.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.113 0.482 . . . . 65.01 110.189 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.18 -31.91 69.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.51 -0.768 . . . . 72.24 111.057 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 115.887 -0.597 . . . . 75.14 111.094 -178.989 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.7 mt . . . . . 0 C--O 1.235 0.314 0 N-CA-C 110.315 -0.254 . . . . 74.23 110.315 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.405 ' HG2' HD23 ' A' ' 26' ' ' LEU . 17.8 Cg_endo -61.79 149.72 88.87 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.439 2.093 . . . . 73.33 111.342 174.242 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.47 -27.29 58.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.189 0.518 . . . . 54.14 110.534 -177.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.611 ' HB3' ' HB2' ' A' ' 28' ' ' ASP . 18.8 m120 -100.11 78.06 2.04 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.577 -0.738 . . . . 42.33 110.337 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.405 HD23 ' HG2' ' A' ' 23' ' ' PRO . 75.0 mt -84.79 -39.52 18.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.001 0.429 . . . . 75.52 110.76 -179.232 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -73.26 -20.71 60.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.289 0.566 . . . . 61.04 110.398 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.611 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 12.1 m-20 -77.83 -18.11 56.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.842 -0.617 . . . . 45.21 110.163 177.025 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.441 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 68.4 mmm -77.81 146.67 35.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.807 -0.633 . . . . 70.14 110.018 178.261 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.504 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 24.8 mtpp -78.24 166.57 22.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.464 -0.335 . . . . 72.33 110.408 179.544 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.9 t -61.58 -38.81 81.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.103 0.478 . . . . 74.43 110.409 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.16 -23.78 65.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.804 -0.635 . . . . 65.13 110.882 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.504 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 9.6 mm-40 -78.95 -44.4 22.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.021 -0.536 . . . . 72.2 110.073 178.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.2 mt -59.43 -43.37 93.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.558 -0.746 . . . . 55.43 110.586 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.5 ' HA ' HD12 ' A' ' 38' ' ' LEU . 97.2 mttt -58.44 -34.1 70.45 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.995 -0.548 . . . . 72.33 111.528 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.404 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 88.2 mm-40 -60.4 -51.84 67.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.464 -0.334 . . . . 73.14 111.01 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -71.86 -28.13 63.33 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.775 -0.37 . . . . 72.02 111.338 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 35' ' ' LYS . 78.2 mt -62.35 -56.56 17.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.608 0.242 . . . . 72.15 110.576 175.645 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.448 ' HE2' HG11 ' A' ' 45' ' ' VAL . 17.2 ptpt -64.87 -27.17 68.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.497 -0.319 . . . . 74.33 111.413 -175.399 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 36' ' ' GLN . 90.8 mt -80.6 -17.61 50.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.575 0.226 . . . . 62.52 111.325 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 74.6 mtt-85 -112.74 23.08 13.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.551 0.215 . . . . 73.42 111.048 -178.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.8 t 69.08 20.72 7.6 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.951 -0.568 . . . . 64.42 111.559 175.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.427 HD22 ' HG2' ' A' ' 55' ' ' ARG . 36.3 mt -99.82 145.3 29.91 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.373 -0.376 . . . . 74.12 110.981 -178.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -63.88 141.13 76.65 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.833 2.355 . . . . 74.12 111.689 174.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.448 HG11 ' HE2' ' A' ' 39' ' ' LYS . 32.5 m -99.12 -11.46 8.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.847 0.356 . . . . 72.21 111.638 -174.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.3 t -82.15 142.86 31.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.393 -0.367 . . . . 74.04 110.187 178.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 137.29 168.4 11.36 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.879 -0.676 . . . . 45.11 111.843 -179.063 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.603 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 23.5 p -73.99 162.18 29.31 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.573 0.187 . . . . 70.5 110.855 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.436 ' O ' HG13 ' A' ' 53' ' ' ILE . 75.5 tttt -54.28 -51.33 64.95 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.853 0.359 . . . . 73.52 111.098 -176.71 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.2 m -59.42 -40.75 87.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.913 -0.585 . . . . 72.3 110.895 -178.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -61.18 -45.04 96.22 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 115.933 -0.576 . . . . 73.52 110.775 178.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 48' ' ' THR . 55.0 mt -62.69 -42.44 99.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 71.14 110.653 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.496 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 81.9 mt -60.63 -51.94 67.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.174 -0.466 . . . . 72.34 110.887 178.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.48 ' HG2' ' NH2' ' A' ' 57' ' ' ARG . 33.4 mt-10 -67.31 -31.4 71.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.417 -0.356 . . . . 74.51 111.133 -178.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.427 ' HG2' HD22 ' A' ' 43' ' ' LEU . 33.8 ttm180 -59.85 -40.25 87.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.135 0.493 . . . . 74.0 109.877 177.37 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.4 mt -68.95 -44.57 72.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.634 -0.712 . . . . 74.51 110.506 175.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 25.9 mtm180 -66.31 -34.14 77.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.369 -0.378 . . . . 70.12 111.393 -176.589 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.24 -31.44 60.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.117 0.484 . . . . 65.13 110.505 177.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -68.89 -43.18 75.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.936 -0.575 . . . . 73.14 110.209 176.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.3 tm0? -73.74 -29.83 62.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.939 -0.573 . . . . 74.24 110.399 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -57.65 -44.3 85.55 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.248 -0.433 . . . . 74.03 111.304 178.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 74.35 111.131 -178.141 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.6 mt . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.827 0.346 . . . . 55.33 111.752 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -70.35 153.79 65.92 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.399 2.066 . . . . 71.13 110.444 169.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.31 1.77 43.39 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.85 0.357 . . . . 71.0 111.46 -176.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.511 ' O ' ' HG3' ' A' ' 29' ' ' MET . 7.0 m-20 -104.74 36.27 2.49 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.417 -0.356 . . . . 62.13 111.371 -178.388 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.5 mt -57.63 -40.63 79.67 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.943 0.349 . . . . 72.41 111.943 -176.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -82.24 -17.13 47.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.156 0.503 . . . . 72.11 110.421 -178.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.506 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 8.6 m-20 -84.48 -9.33 58.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.733 -0.667 . . . . 72.22 110.028 177.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' MET . . . . . 0.511 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 89.9 mtp -94.92 147.08 23.76 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.843 -0.617 . . . . 50.51 110.583 -179.465 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.408 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 57.0 mttp -82.74 174.55 10.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.892 -0.595 . . . . 61.23 110.946 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.511 HG12 ' HE3' ' A' ' 35' ' ' LYS . 36.5 t -61.47 -46.3 96.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.81 -0.632 . . . . 65.44 110.02 179.549 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.91 -40.67 96.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.739 -0.664 . . . . 72.23 110.963 178.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -63.57 -43.61 96.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 74.34 110.997 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 95.7 mt -65.56 -39.0 91.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.38 -0.373 . . . . 73.43 111.213 -178.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.567 ' HA ' HD12 ' A' ' 38' ' ' LEU . 98.2 mttt -60.34 -32.93 71.72 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.397 -0.365 . . . . 74.13 111.422 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.406 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 88.0 mm-40 -63.46 -49.3 74.19 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.883 -0.414 . . . . 75.34 109.883 176.285 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HG3' ' HE1' ' A' ' 29' ' ' MET . 50.3 mm-40 -63.93 -34.11 77.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.621 -0.718 . . . . 65.1 111.374 -179.476 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.567 HD12 ' HA ' ' A' ' 35' ' ' LYS . 59.5 mt -63.48 -61.1 2.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.002 -0.544 . . . . 72.53 111.388 179.29 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -66.88 -26.44 66.88 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.128 0.418 . . . . 60.51 112.128 -172.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 36' ' ' GLN . 69.2 mt -68.94 -22.74 64.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.003 0.43 . . . . 63.52 110.719 176.73 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -105.99 13.22 29.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.125 -0.489 . . . . 74.14 110.226 177.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.5 m 61.77 67.94 0.73 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.815 -0.629 . . . . 73.44 110.845 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 33.2 mt -136.63 145.61 51.99 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.789 -0.641 . . . . 51.33 110.37 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.53 ' HD2' ' HD3' ' A' ' 55' ' ' ARG . 36.3 Cg_exo -60.47 142.19 97.37 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.607 2.205 . . . . 60.01 111.465 175.665 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.53 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 35.5 m -107.57 1.23 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.911 0.386 . . . . 64.42 111.626 -175.09 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.9 m -73.39 159.75 32.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.257 -0.429 . . . . 73.23 110.808 178.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.2 -174.24 20.38 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.807 -0.711 . . . . 74.21 112.392 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.646 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 7.3 p -96.58 -178.22 4.19 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 122.302 0.241 . . . . 62.42 110.543 178.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.508 ' HB2' HG22 ' A' ' 31' ' ' VAL . 82.8 tttt -53.03 -54.27 37.8 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.811 0.338 . . . . 71.32 111.465 -179.361 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.9 m -62.99 -36.04 82.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.232 -0.44 . . . . 73.43 111.348 -175.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -59.14 -41.97 89.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.968 0.413 . . . . 54.32 110.167 177.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' A' ' 48' ' ' THR . 22.7 mt -67.67 -41.09 84.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.885 -0.598 . . . . 73.22 110.34 -179.486 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.556 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 74.2 mt -59.31 -51.56 71.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 116.093 -0.503 . . . . 73.14 110.585 178.345 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -64.09 -36.34 83.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 72.32 110.976 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.53 ' HD3' ' HD2' ' A' ' 44' ' ' PRO . 37.6 ttm180 -65.27 -41.53 94.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.892 -0.595 . . . . 70.43 110.621 178.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.63 -42.89 99.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 63.44 110.627 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.556 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 63.2 mtp180 -61.04 -41.08 95.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 72.43 110.608 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.76 -32.45 73.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.966 -0.561 . . . . 60.23 111.249 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -76.23 -40.52 51.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.519 -0.31 . . . . 75.1 110.752 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.7 tm0? -65.05 -39.53 93.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.964 0.412 . . . . 71.21 110.106 -178.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -59.42 -42.55 92.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.959 -0.564 . . . . 74.45 110.987 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.386 -0.37 . . . . 73.51 111.407 -176.896 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.5 tpp . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.897 0.379 . . . . 75.21 110.689 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -90.96 -66.08 1.18 Allowed Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.657 -0.782 . . . . 51.52 111.997 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -86.96 88.38 7.69 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.107 0.479 . . . . 62.13 110.741 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 21.7 p-80 -106.04 156.76 18.09 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.011 -0.737 . . . . 65.03 109.011 173.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -74.34 92.95 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.405 0.622 . . . . 63.12 110.747 -175.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -131.13 105.99 8.06 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.212 -0.904 . . . . 53.32 109.348 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -63.99 138.27 58.38 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.219 -0.66 . . . . 73.41 109.219 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -59.43 105.0 0.31 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.14 -0.689 . . . . 65.35 109.14 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.2 m -57.73 -57.31 13.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.869 -0.605 . . . . 72.41 111.179 -173.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.0 t60 -82.31 92.09 6.9 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.94 -0.763 . . . . 65.24 108.94 174.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 44.7 ttm -120.82 108.84 14.43 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.372 0.606 . . . . 73.04 111.751 -175.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.1 p -114.53 16.71 17.61 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.875 -1.157 . . . . 75.14 107.875 168.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.462 HG22 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -88.92 144.58 33.12 Favored Pre-proline 0 N--CA 1.447 -0.582 0 CA-C-N 113.787 -1.551 . . . . 43.31 109.797 179.369 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.462 ' HD2' HG22 ' A' ' 13' ' ' THR . 37.4 Cg_exo -61.75 156.58 47.36 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 122.344 2.029 . . . . 45.02 111.65 174.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 tt -82.14 82.31 7.74 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.743 -0.836 . . . . 64.32 108.743 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.5 m -149.51 148.96 30.02 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.526 -0.761 . . . . 71.12 109.399 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -120.41 -51.14 0.27 Allowed Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.664 -0.779 . . . . 40.42 112.156 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -140.51 89.06 10.68 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-O 120.487 0.184 . . . . 73.31 110.895 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -91.46 177.4 1.91 Allowed 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 122.856 2.371 . . . . 74.21 112.051 175.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.83 23.34 17.32 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 111.467 -0.653 . . . . 63.21 111.467 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.12 -161.39 0.94 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.574 -0.528 . . . . 64.13 109.574 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.627 HD13 HD11 ' A' ' 26' ' ' LEU . 79.2 mt -133.78 148.9 70.28 Favored Pre-proline 0 C--N 1.323 -0.547 0 O-C-N 123.186 0.304 . . . . 72.02 110.316 178.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.44 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 42.9 Cg_endo -71.63 144.28 44.13 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 121.938 1.759 . . . . 72.24 110.546 169.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.62 12.65 1.95 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.869 0.366 . . . . 74.04 111.256 -175.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -122.01 28.57 7.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.181 -0.463 . . . . 74.25 110.483 -173.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.627 HD11 HD13 ' A' ' 22' ' ' LEU . 96.3 mt -56.91 -46.69 81.8 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.032 -0.531 . . . . 74.21 111.904 -176.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -69.6 -27.19 64.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.169 -0.469 . . . . 75.21 111.231 -176.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -79.8 -13.05 59.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.793 0.33 . . . . 73.42 111.321 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 60.2 mtm -87.09 170.21 11.72 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.698 -0.482 . . . . 72.13 109.698 174.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.537 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -101.43 175.97 5.4 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.469 -0.332 . . . . 62.51 110.977 -175.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.6 t -58.89 -47.38 89.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.732 -0.667 . . . . 75.32 111.785 -176.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.45 -32.4 71.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.762 0.315 . . . . 40.35 110.883 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.537 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 5.4 mm-40 -65.03 -45.13 86.71 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.68 -0.489 . . . . 73.2 109.68 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.6 -37.44 87.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.764 -0.653 . . . . 75.14 110.601 178.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.562 ' HA ' HD12 ' A' ' 38' ' ' LEU . 94.1 mttt -65.84 -25.37 67.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.033 -0.531 . . . . 75.34 111.145 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -59.76 -46.82 87.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.758 -0.201 . . . . 73.54 110.663 176.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -65.92 -45.94 80.07 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.748 -0.381 . . . . 71.31 110.513 176.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 35' ' ' LYS . 87.0 mt -54.2 -56.35 19.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.262 -0.426 . . . . 74.34 111.849 -177.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -65.84 -26.35 67.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.66 0.267 . . . . 74.33 111.523 -174.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.7 mt -87.05 -33.56 19.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.58 -0.282 . . . . 71.32 111.642 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -94.66 18.21 11.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.815 -0.175 . . . . 64.41 111.421 -176.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.0 m 65.68 52.34 1.33 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.323 0.582 . . . . 70.5 111.258 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.479 HD22 ' HG2' ' A' ' 55' ' ' ARG . 28.6 mt -128.88 133.16 24.89 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.947 -0.57 . . . . 63.4 110.89 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -65.91 128.97 20.87 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 122.554 2.169 . . . . 75.34 111.928 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.3 m -89.4 12.94 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.123 -0.49 . . . . 71.25 111.582 -176.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 m -78.48 114.3 17.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.189 -0.46 . . . . 72.42 111.12 -177.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 143.23 -163.94 27.35 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.47 -0.871 . . . . 64.13 112.898 176.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.66 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 32.4 p -98.83 171.04 8.33 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.222 -0.288 . . . . 71.35 110.222 178.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -55.33 -35.67 65.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.005 0.431 . . . . 71.23 110.196 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.7 m -57.09 -47.62 80.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.53 -0.759 . . . . 74.04 110.534 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -65.76 -41.88 91.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.934 -0.575 . . . . 74.32 110.992 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' ' 48' ' ' THR . 31.4 mt -57.62 -48.55 79.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.312 -0.403 . . . . 61.15 111.028 -176.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.7 mt -63.15 -47.2 93.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.431 -0.349 . . . . 73.44 110.957 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -63.51 -38.6 91.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.306 -0.406 . . . . 75.02 111.212 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.479 ' HG2' HD22 ' A' ' 43' ' ' LEU . 24.5 ttm180 -67.51 -39.86 85.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.01 -0.541 . . . . 75.33 110.216 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 70.9 mt -62.33 -43.18 99.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.985 -0.552 . . . . 75.31 110.136 173.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -59.47 -43.09 93.31 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 115.81 -0.632 . . . . 63.31 111.104 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.38 88.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.939 0.4 . . . . 53.24 111.47 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -72.93 -21.9 60.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.435 0.636 . . . . 62.15 110.187 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.466 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 0.4 OUTLIER -85.41 -38.48 18.63 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.591 -0.731 . . . . 55.52 109.176 176.416 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.457 ' OD2' ' HG2' ' A' ' 71' ' ' LYS . 15.9 t70 -61.66 -32.83 73.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.507 -0.769 . . . . 74.44 111.902 -174.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -66.81 -11.82 56.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.151 0.5 . . . . 73.4 110.972 177.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.0 mt -99.29 -19.89 5.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.865 -0.607 . . . . 75.42 109.825 176.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.435 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 50.5 m -95.32 138.66 21.88 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.724 -0.671 . . . . 72.54 111.456 -175.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 64' ' ' SER . 2.0 Cg_endo -81.88 26.5 0.62 Allowed 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.419 2.746 . . . . 72.13 112.347 178.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 18.5 m -84.56 126.43 68.94 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-O 121.028 0.442 . . . . 53.12 110.759 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 66' ' ' VAL . 60.5 Cg_endo -94.68 -4.16 2.4 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 123.22 2.613 . . . . 55.21 114.09 -176.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.76 9.08 60.12 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.463 -0.875 . . . . 72.52 113.288 -174.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -124.05 158.71 59.56 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.86 0.33 . . . . 61.41 110.764 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -70.06 112.38 3.12 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.815 2.343 . . . . 54.21 111.634 177.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.457 ' HG2' ' OD2' ' A' ' 61' ' ' ASP . 19.3 mtpp -92.96 142.96 26.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.333 -0.394 . . . . 51.11 110.089 -176.195 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -141.75 132.86 13.19 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.348 -0.387 . . . . 54.22 110.619 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -79.57 -164.03 0.26 Allowed 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.784 2.323 . . . . 72.54 112.004 177.155 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.77 164.9 24.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.851 0.358 . . . . 70.51 110.748 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.543 -0.742 . . . . 51.43 110.306 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 110.263 -0.273 . . . . 73.02 110.263 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 83.43 -84.99 1.54 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.767 -0.73 . . . . 53.42 111.671 -177.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -169.05 144.25 3.21 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.489 -0.93 . . . . 70.35 108.489 179.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -80.5 117.73 21.48 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.888 0.375 . . . . 44.04 110.469 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -145.2 142.1 29.26 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.018 -0.537 . . . . 74.05 111.036 -178.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -128.44 153.61 46.93 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.678 -0.86 . . . . 65.51 108.678 170.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.1 p-80 -57.96 132.09 52.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.911 0.386 . . . . 74.11 111.017 -176.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.0 p-80 -165.66 148.85 7.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.97 -0.559 . . . . 74.31 109.958 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.5 m -66.44 121.5 15.44 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.112 -0.329 . . . . 75.03 110.112 177.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -73.88 83.21 1.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.347 0.594 . . . . 63.03 110.432 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 90.8 mtp -137.0 -60.01 0.69 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.592 -0.731 . . . . 74.44 109.728 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.0 m -77.42 99.88 5.77 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.55 -0.75 . . . . 73.41 110.785 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.462 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 88.2 m -106.16 127.82 27.55 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.184 -0.462 . . . . 75.45 110.058 174.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 12.7 Cg_exo -69.41 96.18 0.55 Allowed 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.576 2.184 . . . . 74.23 111.564 176.342 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -80.36 -36.31 34.22 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.038 -1.097 . . . . 74.42 108.038 177.456 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.2 m -143.69 100.1 3.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.755 -1.112 . . . . 44.12 109.262 174.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.97 81.26 0.45 Allowed Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.941 -0.572 . . . . 64.12 112.651 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -86.88 124.79 68.44 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.934 -0.395 . . . . 73.4 109.934 177.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.75 174.89 7.94 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 122.47 2.113 . . . . 41.11 111.96 178.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.45 53.24 4.65 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 121.039 -0.601 . . . . 74.22 111.998 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.99 164.89 29.74 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.109 -0.33 . . . . 70.2 110.109 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.3 mt -120.85 147.98 47.4 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 116.119 -0.491 . . . . 75.03 110.834 -178.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.49 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 72.5 Cg_endo -77.88 151.94 28.17 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.39 2.06 . . . . 65.32 111.396 173.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.69 12.78 2.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.118 0.485 . . . . 65.23 111.094 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -104.35 16.12 26.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.923 -0.58 . . . . 70.3 110.916 -178.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 23' ' ' PRO . 92.3 mt -57.97 -35.31 71.0 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.916 0.389 . . . . 72.14 110.979 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.11 -28.29 69.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.952 -0.567 . . . . 54.34 111.369 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -85.78 -31.6 22.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.882 0.372 . . . . 65.21 110.273 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 89.4 mtp -62.15 140.99 58.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.787 -0.642 . . . . 74.21 110.495 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.615 ' HD2' ' N ' ' A' ' 30' ' ' LYS . 7.1 mptt -84.07 171.06 13.25 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.512 -0.767 . . . . 73.14 110.709 -174.295 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.507 HG12 ' HE3' ' A' ' 35' ' ' LYS . 60.6 t -56.41 -41.74 72.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.914 0.388 . . . . 73.34 109.992 177.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.453 ' O ' ' HG2' ' A' ' 36' ' ' GLN . . . -62.19 -43.95 97.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.724 -0.671 . . . . 64.41 110.773 177.104 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -62.94 -40.17 96.84 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.208 -0.451 . . . . 71.4 110.916 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 85.9 mt -65.61 -40.82 93.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.114 -0.493 . . . . 63.13 110.554 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.507 ' HE3' HG12 ' A' ' 31' ' ' VAL . 98.0 mttt -61.01 -33.21 72.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.124 -0.489 . . . . 64.55 111.257 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 89.5 mm-40 -61.21 -46.39 90.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.4 -0.363 . . . . 73.43 110.587 178.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -69.11 -34.58 75.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.22 -0.445 . . . . 72.21 110.816 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.542 HD13 ' HA ' ' A' ' 45' ' ' VAL . 90.5 mt -65.3 -55.23 19.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.133 -0.485 . . . . 54.14 111.202 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -64.39 -34.49 78.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.709 0.29 . . . . 64.34 111.319 -174.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.7 mt -80.71 -10.28 59.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.529 -0.305 . . . . 72.21 111.766 -176.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -118.99 13.75 13.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.592 0.234 . . . . 75.15 110.776 178.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.8 m 62.71 69.36 0.6 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.749 -0.66 . . . . 45.44 110.852 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.2 mt -139.29 148.84 58.5 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.606 -0.724 . . . . 74.33 110.434 -178.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.645 ' HG2' ' HD3' ' A' ' 55' ' ' ARG . 20.4 Cg_endo -62.8 122.05 10.2 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.503 2.136 . . . . 63.33 111.834 176.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.542 ' HA ' HD13 ' A' ' 38' ' ' LEU . 27.7 m -92.91 6.21 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.831 -0.622 . . . . 62.43 111.949 -175.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.3 m -101.68 139.86 36.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.803 0.335 . . . . 73.44 110.688 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 140.29 -178.43 19.91 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.926 -0.579 . . . . 75.21 112.005 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.563 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 22.2 p -83.0 161.63 21.68 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.995 -0.372 . . . . 65.54 109.995 177.162 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.423 ' HE2' HD11 ' A' ' 53' ' ' ILE . 86.6 tttt -59.23 -39.65 83.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.479 0.18 . . . . 65.23 111.13 -178.026 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.4 m -56.86 -48.18 78.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.016 0.436 . . . . 62.34 110.405 177.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -62.39 -46.27 89.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.732 -0.667 . . . . 72.21 110.983 177.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 48' ' ' THR . 85.4 mt -62.05 -46.1 90.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 62.21 111.611 -176.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.523 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 69.0 mt -61.33 -50.49 80.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 120.702 0.287 . . . . 74.14 110.812 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -67.81 -25.82 65.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.492 -0.322 . . . . 74.14 110.798 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.645 ' HD3' ' HG2' ' A' ' 44' ' ' PRO . 37.9 ttm180 -65.84 -41.79 91.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.184 -0.462 . . . . 72.41 110.203 176.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 77.1 mt -66.09 -43.98 85.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.859 -0.61 . . . . 62.51 110.281 175.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.523 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 53.6 mtp180 -62.58 -40.09 95.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 74.42 110.298 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.14 -34.81 79.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 74.04 110.932 177.439 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.42 ' O ' HG13 ' A' ' 63' ' ' ILE . 57.0 t80 -66.39 -40.9 89.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.106 -0.497 . . . . 74.44 110.37 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.22 -36.32 66.44 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.338 -0.392 . . . . 71.13 110.058 178.071 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.401 ' OD1' ' HA ' ' A' ' 65' ' ' PRO . 36.4 t70 -71.6 -22.3 61.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.811 -0.631 . . . . 65.25 111.835 -177.48 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -90.89 -10.4 42.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.896 -0.503 . . . . 72.33 110.651 176.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 59' ' ' TYR . 76.4 mt -88.81 -45.26 15.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.223 -0.658 . . . . 61.32 109.223 173.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.7 m -150.79 97.74 3.23 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.342 -0.845 . . . . 71.41 109.373 174.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.401 ' HA ' ' OD1' ' A' ' 61' ' ' ASP . 42.9 Cg_endo -67.96 158.33 57.86 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.832 2.354 . . . . 71.04 112.635 -176.21 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.459 ' HB ' ' HB3' ' A' ' 69' ' ' ALA . 6.4 m -60.84 112.49 5.76 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.191 0.519 . . . . 74.51 111.249 177.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 66' ' ' VAL . 5.2 Cg_exo -77.77 118.4 4.48 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 123.057 2.505 . . . . 65.04 112.298 -177.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.7 39.16 96.26 Favored Glycine 0 N--CA 1.452 -0.263 0 CA-C-N 115.905 -0.589 . . . . 24.01 112.852 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.459 ' HB3' ' HB ' ' A' ' 66' ' ' VAL . . . -147.61 146.71 25.4 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 110.521 -0.178 . . . . 75.24 110.521 -178.452 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 69' ' ' ALA . 23.4 Cg_exo -65.5 161.28 38.98 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.687 2.258 . . . . 54.42 111.757 175.362 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -86.65 -0.65 56.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.601 0.715 . . . . 74.32 109.836 -178.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -103.43 151.69 38.67 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.534 -0.757 . . . . 72.43 109.747 175.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.29 142.63 78.69 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.903 2.402 . . . . 74.24 112.529 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.91 139.47 58.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.764 -0.653 . . . . 75.11 112.13 -176.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.924 0 CA-C-O 118.659 -0.686 . . . . 62.1 109.699 178.078 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 109.759 -0.46 . . . . 61.23 109.759 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -121.27 -97.4 1.52 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.589 -0.815 . . . . 61.43 111.334 177.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -139.68 167.74 21.41 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.592 -0.522 . . . . 74.11 109.592 176.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -61.51 133.78 56.11 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.179 -0.304 . . . . 65.03 110.179 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -82.78 166.51 18.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.418 -0.356 . . . . 54.34 110.662 -177.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -75.33 146.28 41.06 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.655 -0.498 . . . . 53.43 109.655 174.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.4 p80 -100.56 133.76 44.52 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.218 0.532 . . . . 73.34 111.669 -174.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.3 p-80 -130.94 -178.4 4.8 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.335 -0.848 . . . . 71.11 109.419 173.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.1 m -58.77 117.85 5.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.996 0.427 . . . . 63.43 111.706 -175.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -151.63 143.18 23.56 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.173 -0.677 . . . . 72.01 109.173 177.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 63.4 mtm -91.65 178.31 5.96 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.464 -0.199 . . . . 71.54 110.464 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.9 m -63.77 139.29 58.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.39 -0.368 . . . . 71.03 111.155 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.403 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 1.7 m -98.19 113.42 63.94 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.266 -0.424 . . . . 72.15 110.529 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 5.6 Cg_exo -76.81 91.44 1.16 Allowed 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 122.786 2.324 . . . . 65.34 110.788 174.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 pp -79.1 145.68 33.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.08 -0.509 . . . . 63.31 111.146 -173.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 p -82.3 -20.24 37.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.059 -0.519 . . . . 72.54 111.319 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.46 ' O ' ' HD3' ' A' ' 19' ' ' PRO . . . 84.04 -98.16 2.12 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.814 -0.708 . . . . 62.04 112.82 175.4 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -98.46 107.67 43.51 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 120.584 0.231 . . . . 60.33 111.51 -177.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.46 ' HD3' ' O ' ' A' ' 17' ' ' GLY . 4.0 Cg_exo -80.97 143.28 14.31 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 123.366 2.711 . . . . 55.31 111.468 175.312 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -109.93 -48.89 0.76 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.853 -0.689 . . . . 51.54 112.091 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -150.29 170.8 18.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.701 0.286 . . . . 25.32 110.768 -178.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.494 HD13 ' HB3' ' A' ' 56' ' ' LEU . 97.6 mt -123.74 151.84 64.8 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.175 -0.466 . . . . 73.05 110.168 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.53 126.61 20.36 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.397 2.065 . . . . 74.21 110.984 173.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.05 -45.78 75.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.157 -0.474 . . . . 64.42 111.798 -176.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -86.19 67.6 10.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.991 0.424 . . . . 61.3 111.538 -178.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.5 -19.84 64.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.264 0.554 . . . . 71.11 109.633 173.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -67.73 -33.25 74.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.276 -0.875 . . . . 62.43 110.712 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.13 -15.76 54.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.874 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 94.5 mmm -73.37 146.51 45.13 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.129 -0.487 . . . . 72.44 110.848 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.516 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 63.4 mttp -66.34 157.73 31.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.087 -0.506 . . . . 54.55 111.064 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.1 -46.97 92.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.628 -0.714 . . . . 75.55 110.438 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' A' ' 36' ' ' GLN . . . -66.23 -31.22 71.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.063 -0.517 . . . . 63.54 110.979 179.058 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.516 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 67.9 mm-40 -72.9 -34.36 66.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.317 -0.401 . . . . 75.43 110.743 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 97.2 mt -62.2 -41.14 98.07 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.55 -0.537 . . . . 73.41 109.55 173.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.554 ' HA ' HD12 ' A' ' 38' ' ' LEU . 99.5 mttt -63.11 -35.43 80.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.376 -0.829 . . . . 73.31 110.67 177.352 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 88.6 mm-40 -60.94 -46.61 90.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 75.22 110.673 177.152 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.458 ' HB3' HH12 ' A' ' 41' ' ' ARG . 39.5 mm-40 -70.14 -22.69 62.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.829 -0.623 . . . . 75.22 111.174 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 35' ' ' LYS . 82.4 mt -77.21 -53.86 7.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 61.54 110.725 176.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -63.87 -24.34 67.71 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.34 -0.391 . . . . 65.33 111.885 -174.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.8 mt -75.12 -23.92 57.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.766 0.317 . . . . 65.44 111.251 178.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.458 HH12 ' HB3' ' A' ' 37' ' ' GLU . 73.2 mtt85 -115.2 21.63 14.0 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.166 -0.47 . . . . 75.21 110.977 -174.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.0 m 63.68 32.09 14.01 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.472 -0.786 . . . . 62.11 111.668 175.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.41 ' HB3' HD22 ' A' ' 38' ' ' LEU . 47.9 mt -100.17 140.7 21.68 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.041 -0.527 . . . . 65.22 110.973 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -65.04 127.55 18.72 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.656 2.237 . . . . 64.43 112.14 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.498 HG12 ' HB2' ' A' ' 38' ' ' LEU . 32.0 m -95.75 7.93 6.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.12 -0.491 . . . . 63.04 111.353 -177.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.3 p -91.19 99.69 12.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.038 -0.528 . . . . 65.21 111.307 -176.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 169.05 -174.53 43.56 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.995 -0.622 . . . . 64.1 111.94 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.656 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 41.6 p -78.75 168.95 18.98 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.242 -0.281 . . . . 72.13 110.242 177.382 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -58.18 -38.03 75.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.015 0.436 . . . . 74.54 109.927 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.408 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 5.7 m -58.25 -47.94 82.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.628 -0.715 . . . . 74.1 110.326 177.331 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 55' ' ' ARG . 73.8 mm-40 -64.86 -37.7 88.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.848 -0.615 . . . . 62.12 111.31 -179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 48' ' ' THR . 54.7 mt -61.31 -46.09 91.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.927 0.394 . . . . 61.11 110.351 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.523 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 81.3 mt -62.39 -53.1 51.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.809 -0.632 . . . . 74.43 111.042 178.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 50' ' ' THR . 28.3 mm-40 -64.63 -27.11 68.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 54.21 110.961 -176.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -65.66 -49.16 69.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 73.23 109.977 178.337 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.494 ' HB3' HD13 ' A' ' 22' ' ' LEU . 78.6 mt -59.72 -45.81 91.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.537 -0.756 . . . . 73.11 110.591 177.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.523 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 81.8 mtp180 -56.78 -48.31 78.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.74 -0.664 . . . . 71.12 110.794 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.52 -27.84 67.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 63.44 111.702 -177.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.567 ' O ' HG13 ' A' ' 63' ' ' ILE . 66.5 t80 -72.47 -52.02 17.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.498 -0.319 . . . . 73.02 110.277 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.506 ' HA ' HD12 ' A' ' 63' ' ' ILE . 24.1 tm0? -65.53 -33.05 75.02 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.162 0.506 . . . . 74.35 110.069 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -57.92 -40.11 79.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.531 -0.759 . . . . 75.14 111.267 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.576 ' HB2' ' HD2' ' A' ' 71' ' ' LYS . 10.2 pt20 -90.29 -3.17 57.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.774 0.321 . . . . 63.21 111.231 -178.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.567 HG13 ' O ' ' A' ' 59' ' ' TYR . 70.7 mt -78.83 -25.67 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 108.752 -0.833 . . . . 73.12 108.752 170.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.5 m -83.31 147.7 53.98 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.064 -0.971 . . . . 70.31 109.578 175.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -53.97 115.37 2.31 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.135 2.556 . . . . 64.33 113.183 -175.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.442 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 6.0 m -117.97 110.74 39.6 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.693 -0.685 . . . . 62.14 110.302 176.134 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 66' ' ' VAL . 23.1 Cg_exo -64.6 -60.86 0.12 Allowed 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.781 2.321 . . . . 60.23 112.232 -176.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -140.1 103.0 0.35 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.938 -0.648 . . . . 73.35 111.798 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -145.14 141.77 17.59 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 110.374 -0.232 . . . . 61.22 110.374 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -71.42 88.86 0.72 Allowed 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.468 2.112 . . . . 65.02 111.326 175.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.576 ' HD2' ' HB2' ' A' ' 62' ' ' GLN . 19.3 ttpp -109.76 31.84 5.51 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.506 -0.77 . . . . 74.04 110.128 -173.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.436 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . . . -57.4 124.97 70.01 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.329 -0.851 . . . . 40.31 111.104 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 72' ' ' ALA . 7.0 Cg_exo -72.64 79.3 1.91 Allowed 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.747 2.298 . . . . 63.55 111.584 178.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.62 10.5 13.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.962 -0.563 . . . . 72.34 111.203 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.384 -0.817 . . . . 70.41 109.862 178.575 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.48 1.026 0 CA-C-O 120.701 0.286 . . . . 74.32 110.632 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -107.29 -162.0 21.66 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.701 -0.762 . . . . 72.35 112.344 -178.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 65.6 m80 -72.67 134.3 45.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.932 0.396 . . . . 74.34 110.895 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -87.61 -28.93 21.59 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.431 -0.951 . . . . 63.22 108.431 174.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -103.82 105.68 15.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.16 -0.927 . . . . 74.42 109.702 172.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -74.51 -40.1 62.0 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.617 -0.512 . . . . 75.4 109.617 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -110.37 138.89 46.14 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.019 -0.734 . . . . 74.04 109.019 171.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -108.78 84.0 1.86 Allowed 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.896 -0.322 . . . . 65.33 110.436 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.0 t -164.46 113.57 1.15 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.216 -0.447 . . . . 54.01 109.911 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.6 p-80 -104.95 133.22 50.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.238 -0.437 . . . . 74.12 110.182 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.5 tpt -119.9 128.96 54.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.098 -0.501 . . . . 70.05 110.147 178.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.1 p -66.93 134.04 51.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.914 -0.584 . . . . 40.3 110.525 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.5 p -62.65 115.81 19.3 Favored Pre-proline 0 C--N 1.327 -0.405 0 O-C-N 123.449 0.468 . . . . 74.31 111.044 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -87.22 168.13 7.69 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 123.025 2.483 . . . . 73.32 113.016 -177.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.508 HD13 ' N ' ' A' ' 16' ' ' THR . 1.4 tm? -82.17 141.38 33.1 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.958 -0.756 . . . . 70.54 108.958 177.423 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.508 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -75.19 35.45 0.11 Allowed 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.173 0.511 . . . . 73.22 111.899 -176.745 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -144.15 80.47 0.23 Allowed Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.515 -0.634 . . . . 74.13 111.515 -178.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -90.57 119.28 69.09 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 110.107 -0.331 . . . . 73.41 110.107 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.05 110.86 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 123.065 2.51 . . . . 55.24 113.029 -177.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.98 25.78 9.46 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.094 -0.574 . . . . 75.32 111.738 176.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.3 154.72 44.57 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.439 -0.578 . . . . 73.34 109.439 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.43 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 86.9 mt -123.18 149.81 58.31 Favored Pre-proline 0 C--N 1.323 -0.572 0 O-C-N 123.101 0.251 . . . . 74.13 110.859 -176.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.552 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 58.7 Cg_endo -74.63 147.64 35.93 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.573 2.182 . . . . 64.44 111.156 172.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.09 -6.25 52.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.118 0.485 . . . . 52.11 111.115 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.427 ' O ' ' HG3' ' A' ' 29' ' ' MET . 14.2 m120 -96.96 33.86 1.82 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.065 -0.516 . . . . 71.5 110.572 -176.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 23' ' ' PRO . 96.6 mt -58.25 -32.44 68.36 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.27 0.47 . . . . 73.25 112.27 -177.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -82.26 -26.72 32.94 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.808 -0.357 . . . . 71.42 110.739 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.4 ' HB3' ' HB3' ' A' ' 25' ' ' ASN . 18.7 t70 -71.13 -31.18 67.42 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.418 0.628 . . . . 75.55 109.637 174.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.488 ' O ' ' HE3' ' A' ' 49' ' ' LYS . 87.8 mtp -64.73 145.02 56.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.101 -0.954 . . . . 73.42 110.192 176.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.441 ' HB2' ' OE1' ' A' ' 33' ' ' GLU . 38.1 mttp -85.09 178.53 7.51 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.162 -0.472 . . . . 73.43 110.019 -178.164 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.6 t -64.27 -29.32 47.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.17 -0.468 . . . . 75.24 110.399 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.0 -59.38 3.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.976 -0.556 . . . . 63.5 111.636 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.441 ' OE1' ' HB2' ' A' ' 30' ' ' LYS . 1.2 pm0 -61.95 -32.06 72.45 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.883 0.327 . . . . 74.15 111.883 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 73.2 mt -62.03 -43.33 99.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.899 0.38 . . . . 63.32 110.379 175.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.412 ' HE2' ' O ' ' A' ' 45' ' ' VAL . 98.2 mttt -67.89 -34.99 77.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 75.54 110.503 177.391 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -59.0 -47.73 84.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.769 0.318 . . . . 70.4 110.385 175.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -59.23 -31.06 68.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 72.51 111.358 178.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.519 HD22 ' HD2' ' A' ' 55' ' ' ARG . 88.4 mt -77.68 -55.16 5.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.325 -0.398 . . . . 71.32 111.271 179.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -64.57 -28.87 69.93 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.059 0.392 . . . . 65.34 112.059 -173.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.8 mt -76.93 -10.49 59.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.893 0.378 . . . . 75.32 111.076 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.3 mtt85 -116.92 14.58 15.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.325 -0.398 . . . . 73.55 110.839 179.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.6 m 64.29 37.88 8.31 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.856 -0.611 . . . . 72.41 111.287 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 29.4 mt -107.27 150.1 39.55 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.743 -0.662 . . . . 73.12 110.148 177.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 43' ' ' LEU . 23.6 Cg_exo -65.17 128.74 21.18 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.699 2.266 . . . . 72.32 111.577 175.269 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.412 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 33.1 m -93.87 7.75 5.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.964 0.411 . . . . 64.23 111.598 -174.373 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.0 m -84.74 140.32 31.35 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.379 -0.373 . . . . 74.43 110.673 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 136.83 174.08 13.17 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.915 -0.659 . . . . 52.25 112.261 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.635 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 36.9 p -90.4 -175.97 4.64 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 122.199 0.2 . . . . 71.23 111.212 178.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.533 ' HE2' HD11 ' A' ' 53' ' ' ILE . 23.7 tptm -52.82 -61.39 2.32 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 122.588 0.355 . . . . 72.43 111.823 -175.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.5 m -60.49 -37.22 80.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.534 -0.303 . . . . 55.53 111.66 -177.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -64.39 -42.63 96.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.664 -0.244 . . . . 64.35 111.305 -177.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 48' ' ' THR . 64.7 mt -62.42 -44.26 96.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.144 0.497 . . . . 75.53 110.082 178.185 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.533 HD11 ' HE2' ' A' ' 49' ' ' LYS . 67.3 mt -60.44 -49.26 85.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.451 -0.795 . . . . 72.13 110.713 177.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -65.64 -40.06 92.1 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.562 -0.744 . . . . 75.42 111.465 -174.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.519 ' HD2' HD22 ' A' ' 38' ' ' LEU . 41.3 ttm-85 -61.38 -41.1 96.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.773 0.32 . . . . 60.45 110.153 178.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 77.3 mt -59.09 -47.06 86.64 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.071 -0.513 . . . . 74.24 110.404 175.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.9 mtp85 -60.14 -44.28 95.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.699 -0.682 . . . . 74.42 111.376 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.63 -33.29 75.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.057 0.456 . . . . 73.15 111.247 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -70.92 -43.55 68.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.123 -0.49 . . . . 73.23 110.532 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.43 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 17.7 tm0? -69.29 -35.97 76.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.154 0.502 . . . . 61.12 110.013 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -63.44 -43.27 97.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.461 -0.79 . . . . 70.43 111.269 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -74.54 -14.7 60.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.343 -0.39 . . . . 60.34 111.61 -176.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.7 mt -86.72 -43.24 15.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.026 0.441 . . . . 73.43 110.237 177.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.413 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 20.4 m -70.32 145.25 93.05 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.837 -0.62 . . . . 61.25 110.907 -178.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 64' ' ' SER . 17.4 Cg_exo -67.55 103.5 0.82 Allowed 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.46 2.107 . . . . 73.55 111.015 174.202 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.7 m -133.18 154.55 81.21 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.04 -0.527 . . . . 73.52 110.209 -177.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -61.72 113.51 1.86 Allowed 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.631 2.221 . . . . 64.11 111.824 178.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.0 -73.52 1.14 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.914 -0.66 . . . . 75.13 112.048 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 70.88 149.25 0.12 Allowed Pre-proline 0 N--CA 1.468 0.461 0 C-N-CA 123.428 0.691 . . . . 60.43 111.512 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -59.55 118.63 5.54 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.568 2.179 . . . . 65.43 111.315 176.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -87.8 93.35 9.43 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.771 0.319 . . . . 73.31 110.825 -175.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 55.12 79.35 0.34 Allowed Pre-proline 0 C--O 1.232 0.176 0 CA-C-N 115.388 -0.824 . . . . 70.53 111.818 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -72.25 98.55 0.93 Allowed 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.644 2.229 . . . . 41.33 111.885 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -166.16 157.04 13.04 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.161 -0.472 . . . . 62.24 109.903 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.68 -0.676 . . . . 73.31 110.596 -178.727 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.6 mtp . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 110.033 -0.358 . . . . 75.02 110.033 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -168.88 117.98 0.75 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.674 -0.774 . . . . 75.45 112.959 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -100.48 -4.05 29.57 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.712 -0.847 . . . . 65.12 108.712 173.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -54.37 136.83 43.22 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 114.387 -1.278 . . . . 71.31 111.706 178.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.4 p-80 -152.55 125.2 8.33 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.782 -0.644 . . . . 64.43 110.598 -177.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -88.98 121.97 31.87 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.824 -0.435 . . . . 75.43 109.824 174.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 31.2 t-80 -152.57 129.57 11.06 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.824 -0.436 . . . . 65.01 109.824 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -75.87 -165.06 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.183 -0.462 . . . . 61.42 110.6 178.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.4 t -58.68 120.73 9.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.062 0.458 . . . . 75.0 109.97 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -85.15 155.08 21.61 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.876 -0.602 . . . . 73.32 110.64 -176.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 22.2 ptp -77.39 143.07 38.95 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.372 -0.603 . . . . 72.41 109.372 175.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.2 t -72.04 142.94 49.27 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.164 0.507 . . . . 74.4 111.264 -175.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.7 m -126.55 119.49 23.03 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.544 -0.753 . . . . 63.31 109.834 175.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -60.97 109.68 0.73 Allowed 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.916 2.41 . . . . 71.12 111.657 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 tt -91.86 95.03 9.61 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.145 0.498 . . . . 50.43 109.82 -177.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 t -134.47 116.33 15.0 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.735 -0.666 . . . . 73.43 109.39 176.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.47 -173.65 42.46 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.688 -0.768 . . . . 75.15 112.087 -178.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -165.87 102.98 0.72 Allowed Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 109.627 -0.509 . . . . 73.23 109.627 177.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -55.17 134.1 61.87 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.721 2.281 . . . . 63.04 112.412 -177.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.421 ' O ' ' HG2' ' A' ' 60' ' ' GLN . . . -103.5 -50.02 1.07 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.719 -0.753 . . . . 24.04 111.867 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.32 172.25 13.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.789 0.328 . . . . 64.22 110.95 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.3 mt -114.95 137.38 22.84 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.337 -0.392 . . . . 75.51 110.507 -178.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.523 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 58.4 Cg_endo -73.9 164.81 33.67 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.306 2.004 . . . . 74.31 111.632 175.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.94 -8.25 59.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.296 0.57 . . . . 71.43 111.037 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -95.88 23.28 6.46 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.089 -0.505 . . . . 74.45 111.829 -176.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 23' ' ' PRO . 77.1 mt -51.0 -47.07 61.63 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.395 0.517 . . . . 72.0 112.395 -176.41 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -83.59 -26.14 30.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.987 0.422 . . . . 71.32 111.015 -177.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -78.08 -34.48 50.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.62 -0.718 . . . . 72.11 111.271 -176.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 76.2 mtp -61.51 154.2 25.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.887 -0.597 . . . . 74.23 110.72 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.53 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 9.4 mptt -80.78 167.68 19.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.975 -0.557 . . . . 53.01 110.828 -175.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.532 HG22 ' HD3' ' A' ' 49' ' ' LYS . 59.4 t -53.9 -45.84 63.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.911 -0.586 . . . . 62.01 110.711 177.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' A' ' 36' ' ' GLN . . . -62.64 -43.07 99.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.887 -0.597 . . . . 63.14 111.042 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.53 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 11.5 mm-40 -61.01 -38.87 87.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.316 -0.402 . . . . 72.44 111.129 -178.054 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.0 mt -70.8 -36.47 73.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.097 -0.501 . . . . 72.5 110.719 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -72.84 -25.28 61.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.361 -0.381 . . . . 63.44 110.71 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 86.5 mm-40 -63.03 -38.78 92.57 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.771 -0.455 . . . . 71.41 109.771 172.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -64.56 -48.38 75.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.795 -0.639 . . . . 54.01 110.329 175.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.489 HD11 HD22 ' A' ' 52' ' ' LEU . 96.0 mt -56.67 -50.3 72.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.94 -0.573 . . . . 61.35 111.515 -177.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -64.22 -26.04 68.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.462 -0.336 . . . . 51.21 111.402 -176.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.5 mt -86.83 -26.78 23.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.801 0.334 . . . . 60.05 111.321 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 41' ' ' ARG . 48.9 mtt180 -98.94 15.08 26.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.354 -0.384 . . . . 70.54 111.239 -175.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.5 m 65.5 31.36 10.2 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.317 0.579 . . . . 60.04 111.231 177.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.7 mt -105.94 149.48 38.1 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.614 -0.721 . . . . 53.44 110.528 -178.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -64.9 131.72 29.95 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.41 2.073 . . . . 61.35 111.767 176.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.1 m -89.24 4.5 5.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.885 0.374 . . . . 54.12 111.551 -177.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.4 m -81.57 120.66 25.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.218 -0.446 . . . . 70.44 110.247 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 156.33 164.64 13.6 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.488 -0.863 . . . . 52.51 112.597 178.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.718 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 25.7 p -91.34 173.71 7.77 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 122.257 0.223 . . . . 61.55 111.103 178.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.532 ' HD3' HG22 ' A' ' 31' ' ' VAL . 29.0 tptp -51.78 -46.29 64.1 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.04 0.536 . . . . 64.32 111.898 -174.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.2 m -65.7 -42.01 91.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.134 -0.485 . . . . 73.24 111.334 -178.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.51 -35.58 79.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 60.21 111.146 -175.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.718 ' HG ' ' O ' ' A' ' 48' ' ' THR . 55.7 mt -59.78 -42.63 93.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.001 -0.545 . . . . 73.23 110.359 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.3 mt -67.14 -45.37 86.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.887 -0.597 . . . . 74.23 110.898 -178.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.48 -38.09 89.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 74.44 110.62 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -63.96 -41.68 97.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.907 -0.588 . . . . 74.51 110.849 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 92.3 mt -64.25 -41.27 97.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.382 -0.372 . . . . 64.25 110.538 177.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -61.6 -52.7 63.32 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.918 -0.583 . . . . 53.24 110.932 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.86 -26.26 68.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.099 0.476 . . . . 75.22 111.443 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.42 ' O ' HG13 ' A' ' 63' ' ' ILE . 73.7 t80 -71.23 -52.63 17.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.713 -0.676 . . . . 72.32 110.671 178.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -62.55 -40.41 96.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.389 0.614 . . . . 64.21 109.391 179.125 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -54.65 -47.49 73.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.156 -0.929 . . . . 74.44 111.994 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -74.49 -16.58 60.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.622 0.249 . . . . 63.22 110.914 -176.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 59' ' ' TYR . 73.5 mt -83.7 -73.53 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.923 -0.399 . . . . 73.23 109.923 176.262 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.469 ' HA ' ' HD2' ' A' ' 65' ' ' PRO . 65.1 m 61.8 111.17 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.405 0 O-C-N 124.08 0.862 . . . . 61.13 111.622 -178.053 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.469 ' HD2' ' HA ' ' A' ' 64' ' ' SER . 11.6 Cg_endo -55.35 130.78 42.45 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.784 2.323 . . . . 64.35 112.327 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.742 HG23 ' HA ' ' A' ' 69' ' ' ALA . 12.1 m -68.21 134.32 91.41 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.963 -0.562 . . . . 74.04 111.478 -177.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 66' ' ' VAL . 30.4 Cg_exo -61.93 110.57 1.01 Allowed 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.06 2.507 . . . . 73.12 112.703 -177.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.5 -1.55 88.73 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.029 -0.605 . . . . 72.25 112.762 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.742 ' HA ' HG23 ' A' ' 66' ' ' VAL . . . 63.88 171.23 0.09 OUTLIER Pre-proline 0 CA--C 1.536 0.411 0 C-N-CA 122.698 0.399 . . . . 42.11 111.099 -178.649 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.559 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 11.2 Cg_endo -57.06 111.55 0.84 Allowed 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 121.885 1.723 . . . . 70.34 110.7 169.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -143.35 150.81 39.67 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.281 -0.418 . . . . 71.15 110.336 -173.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.625 ' HB3' ' HB3' ' A' ' 75' ' ' ALA . . . -100.39 152.9 37.96 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.163 -0.471 . . . . 74.43 110.628 -177.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.49 121.8 10.59 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.761 2.307 . . . . 45.31 111.844 178.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 64.21 20.34 12.14 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.769 -0.65 . . . . 54.53 111.886 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.625 ' HB3' ' HB3' ' A' ' 72' ' ' ALA . . . . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.157 -0.925 . . . . 36.43 110.118 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptp . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 120.789 0.328 . . . . 52.54 110.721 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.18 -14.61 68.68 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.971 -0.633 . . . . 55.13 112.973 -175.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -132.5 141.72 48.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.923 0.362 . . . . 72.31 110.642 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -99.9 -69.67 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.487 -0.324 . . . . 74.03 111.451 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.6 p80 -155.11 110.56 3.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.696 0.76 . . . . 74.42 112.226 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -137.75 105.17 5.51 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.076 -1.083 . . . . 65.12 108.076 169.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -114.92 144.33 43.73 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.792 -0.363 . . . . 73.02 111.057 -172.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -83.16 155.45 23.76 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.013 -0.54 . . . . 75.25 109.58 175.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.3 p -70.28 -29.49 66.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.353 0.597 . . . . 74.45 110.075 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -122.79 107.73 12.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.625 -0.716 . . . . 75.14 109.818 174.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 52.4 ttm -81.27 -56.88 3.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.264 -0.426 . . . . 72.01 109.98 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.0 p -116.33 100.23 7.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.038 -0.528 . . . . 14.53 110.431 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.461 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 3.5 m -101.58 117.99 60.69 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.1 -0.5 . . . . 73.42 110.158 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 4.3 Cg_exo -75.46 111.02 3.21 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.865 2.377 . . . . 73.33 112.162 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.86 -33.3 75.38 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.434 0.635 . . . . 63.24 109.878 176.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.9 t -139.46 132.43 29.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.555 -0.748 . . . . 62.1 109.144 174.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.29 122.04 5.73 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.644 -0.788 . . . . 52.44 112.694 -175.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 4.2 mptp? -69.82 140.73 89.19 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 109.555 -0.535 . . . . 72.04 109.555 175.232 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 18' ' ' LYS . 34.9 Cg_exo -62.23 176.34 1.58 Allowed 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.881 2.388 . . . . 71.1 112.501 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.73 54.32 1.67 Allowed Glycine 0 CA--C 1.519 0.3 0 CA-C-N 116.278 -0.419 . . . . 61.14 112.988 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -149.13 179.09 8.16 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.311 -0.626 . . . . 70.24 109.311 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.478 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 80.8 mt -120.72 152.26 55.59 Favored Pre-proline 0 C--N 1.318 -0.764 0 CA-C-N 116.579 -0.282 . . . . 75.25 110.311 -178.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -63.04 131.81 34.19 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.167 1.911 . . . . 75.04 110.808 171.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.42 9.23 1.8 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.899 0.38 . . . . 71.13 112.005 -176.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.438 ' HB3' ' HB2' ' A' ' 28' ' ' ASP . 17.6 m120 -125.48 46.41 2.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.455 -0.339 . . . . 72.1 110.876 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.91 -31.32 72.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.165 0.507 . . . . 54.02 109.885 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -66.43 -30.36 70.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.598 -0.728 . . . . 75.44 110.928 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.438 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 4.0 m-20 -79.39 -17.59 54.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.854 -0.612 . . . . 72.33 111.079 -179.133 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 86.6 mtp -83.73 160.13 21.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.074 -0.512 . . . . 75.24 110.788 -176.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.501 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 43.1 mttp -78.1 174.57 11.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.003 0.43 . . . . 72.53 110.316 178.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.497 HG12 ' HE3' ' A' ' 35' ' ' LYS . 61.3 t -65.88 -45.22 91.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.923 -0.581 . . . . 75.41 109.772 174.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.92 -36.92 84.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.918 -0.583 . . . . 50.23 111.114 178.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.501 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 81.0 mm-40 -60.24 -42.17 94.69 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.285 -0.416 . . . . 62.44 110.593 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.425 HD13 ' HB2' ' A' ' 52' ' ' LEU . 94.0 mt -67.14 -38.78 86.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.85 -0.614 . . . . 65.11 110.238 179.069 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.533 ' HA ' HD12 ' A' ' 38' ' ' LEU . 99.5 mttt -62.75 -35.6 80.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 71.31 110.698 177.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -63.36 -41.33 98.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.332 -0.394 . . . . 70.24 110.483 175.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -65.75 -32.46 74.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.068 -0.515 . . . . 71.21 110.944 176.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' ' 35' ' ' LYS . 72.8 mt -73.44 -52.11 14.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.952 -0.567 . . . . 72.45 111.502 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -63.13 -24.84 68.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.453 -0.34 . . . . 72.51 111.84 -174.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.4 mt -78.82 -14.75 59.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.758 0.313 . . . . 74.14 111.147 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 71.4 mtt85 -120.75 18.4 11.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.37 -0.377 . . . . 70.43 111.035 -177.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.1 t 65.79 26.07 11.29 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.787 -0.642 . . . . 73.12 111.432 176.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.439 ' HB3' HD22 ' A' ' 38' ' ' LEU . 40.5 mt -96.71 143.62 26.44 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 116.091 -0.504 . . . . 74.44 110.545 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.6 122.84 11.89 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.895 2.397 . . . . 71.11 112.272 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.0 m -85.72 21.51 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.78 -0.646 . . . . 70.45 111.833 -175.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.6 t -112.55 132.97 54.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.897 0.379 . . . . 72.32 110.184 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.08 178.18 23.89 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.853 -0.612 . . . . 34.31 111.628 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.658 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 33.7 p -87.27 171.93 10.26 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.423 0.154 . . . . 73.1 110.673 178.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.541 ' HE2' HD11 ' A' ' 53' ' ' ILE . 24.0 tptm -49.65 -48.42 49.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 45.23 110.657 175.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 p -64.89 -43.98 91.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.841 -0.618 . . . . 73.05 111.473 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -58.24 -47.64 82.9 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.807 0.299 . . . . 73.54 111.807 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' ' 48' ' ' THR . 36.1 mt -62.62 -42.72 99.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.604 -0.271 . . . . 74.24 110.769 -176.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.541 HD11 ' HE2' ' A' ' 49' ' ' LYS . 77.0 mt -62.3 -50.83 78.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 116.305 -0.407 . . . . 73.33 110.811 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.41 ' HA ' ' OE1' ' A' ' 54' ' ' GLU . 7.3 mm-40 -66.51 -35.27 79.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.942 -0.572 . . . . 73.13 111.296 -177.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.8 ttm-85 -66.89 -39.68 87.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.927 0.394 . . . . 72.45 110.429 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.4 ' HB3' HD13 ' A' ' 22' ' ' LEU . 58.1 mt -64.65 -50.86 65.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.966 -0.561 . . . . 62.23 110.217 173.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.429 ' HD3' HG22 ' A' ' 53' ' ' ILE . 4.5 mtp85 -59.65 -44.51 93.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.744 -0.662 . . . . 65.15 111.848 -177.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.62 -33.88 76.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.848 0.356 . . . . 64.23 111.292 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.451 ' O ' HG13 ' A' ' 63' ' ' ILE . 71.6 t80 -70.99 -43.22 68.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.378 -0.374 . . . . 74.22 110.238 178.566 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.478 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 17.2 tm0? -70.73 -31.76 68.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.034 0.445 . . . . 74.43 110.042 -179.322 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -60.68 -46.63 89.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.864 -0.607 . . . . 73.23 111.509 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -75.83 -18.43 59.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.831 0.348 . . . . 61.42 111.302 -177.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 59' ' ' TYR . 81.2 mt -71.15 -38.39 70.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.528 0.68 . . . . 65.32 109.487 172.034 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.408 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 19.5 m -71.79 146.82 91.21 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.147 -0.933 . . . . 65.11 110.454 -179.251 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 64' ' ' SER . 34.4 Cg_exo -61.22 115.09 2.51 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.675 2.25 . . . . 62.01 111.596 177.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 35.3 m -84.98 134.18 41.78 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 116.159 -0.473 . . . . 74.33 110.245 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.36 42.62 1.05 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 123.11 2.54 . . . . 72.34 112.672 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.97 98.4 0.68 Allowed Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.264 -0.735 . . . . 54.22 111.264 -176.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.421 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . . . -152.69 144.58 16.59 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-O 120.374 0.131 . . . . 64.44 110.763 -176.117 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 69' ' ' ALA . 32.2 Cg_exo -59.49 118.49 5.39 Favored 'Trans proline' 0 C--O 1.236 0.418 0 C-N-CA 122.697 2.265 . . . . 71.24 111.502 176.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -74.56 91.01 2.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.399 0.619 . . . . 71.21 110.719 -176.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -149.57 87.69 5.13 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.221 -0.9 . . . . 62.03 109.644 176.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -74.64 140.05 26.07 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 123.013 2.475 . . . . 64.53 112.446 -177.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.22 127.02 36.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.998 -0.547 . . . . 72.03 110.469 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.533 -0.746 . . . . 65.31 110.222 -178.494 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 120.77 0.319 . . . . 53.01 110.457 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 120.99 78.48 0.51 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.72 -0.753 . . . . 71.34 112.302 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -86.86 -6.89 58.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.959 0.409 . . . . 73.33 110.76 -178.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -101.87 35.37 2.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.904 0.383 . . . . 74.23 110.908 -178.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -58.62 -44.36 89.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.636 -0.711 . . . . 63.12 111.026 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -105.61 28.84 7.07 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.023 -0.535 . . . . 75.41 110.206 -177.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.444 ' O ' ' HB2' ' A' ' 8' ' ' HIS . 20.3 t-80 -147.34 48.16 1.12 Allowed 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.594 -0.443 . . . . 73.23 110.598 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.444 ' HB2' ' O ' ' A' ' 7' ' ' HIS . 27.1 t-80 174.88 -29.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.87 -0.604 . . . . 54.24 110.114 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 m -80.33 73.17 7.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.922 -0.581 . . . . 73.43 111.888 -174.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -132.24 110.74 10.84 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.319 -0.401 . . . . 74.43 110.084 173.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 53.7 ttm -149.62 118.07 6.5 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.035 -0.53 . . . . 63.45 110.044 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.8 m -72.55 115.75 12.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.017 -0.538 . . . . 74.4 110.687 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.4 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . 0.4 OUTLIER -75.4 164.23 62.35 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.939 -0.573 . . . . 71.25 110.724 178.148 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.4 ' HD2' ' CB ' ' A' ' 13' ' ' THR . 9.2 Cg_endo -52.42 129.84 33.5 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.086 2.524 . . . . 71.34 113.117 -176.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.522 HD22 HD22 ' A' ' 40' ' ' LEU . 54.7 tp -96.71 92.0 5.98 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.355 -0.839 . . . . 74.41 109.931 177.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.5 p -119.66 150.12 40.87 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.035 -0.529 . . . . 62.21 111.333 -177.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 84.73 55.0 2.78 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.056 -0.592 . . . . 50.52 113.013 175.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -158.57 152.59 19.79 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.744 0.272 . . . . 75.1 110.878 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -84.21 -166.69 0.38 Allowed 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.748 2.299 . . . . 63.12 112.045 174.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.42 -21.62 8.26 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.418 -0.896 . . . . 75.05 112.163 178.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.592 ' HA ' ' OE1' ' A' ' 60' ' ' GLN . . . -65.39 170.94 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.688 0.625 . . . . 64.52 112.688 -175.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.438 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 73.3 mt -112.15 146.99 36.0 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.546 -0.752 . . . . 52.44 110.601 -179.348 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.65 157.04 56.64 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.372 2.048 . . . . 60.31 111.351 172.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.68 14.54 4.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.106 0.479 . . . . 43.34 111.332 -177.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.412 ' O ' ' HG3' ' A' ' 29' ' ' MET . 17.2 m120 -117.51 42.08 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.192 -0.458 . . . . 74.53 110.864 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.3 mt -65.8 -29.4 69.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.045 -0.525 . . . . 61.3 111.297 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -79.69 -23.46 42.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 72.23 110.845 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -80.49 -20.99 42.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 75.23 110.794 177.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.412 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 86.7 mtp -72.32 152.26 42.21 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.088 -0.506 . . . . 63.43 110.082 178.176 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.564 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 8.7 mptt -82.41 163.28 21.76 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.888 -0.412 . . . . 71.34 109.888 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.512 HG22 ' HB2' ' A' ' 49' ' ' LYS . 81.1 t -55.19 -45.52 77.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.845 0.355 . . . . 74.45 111.062 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.7 -36.85 85.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 63.32 111.227 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.564 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 6.2 mm-40 -66.88 -38.12 85.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.902 0.382 . . . . 72.33 110.373 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.9 mt -63.55 -40.95 98.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.009 -0.542 . . . . 74.32 110.306 177.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.444 ' HA ' HD12 ' A' ' 38' ' ' LEU . 99.0 mttt -63.31 -31.34 72.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.978 -0.555 . . . . 74.35 110.681 177.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.4 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 16.6 mm100 -64.31 -45.16 89.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.397 -0.365 . . . . 71.23 110.418 177.035 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.582 ' CD ' HH12 ' A' ' 41' ' ' ARG . 4.9 mm-40 -65.29 -31.02 71.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.449 -0.341 . . . . 73.51 111.003 178.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 35' ' ' LYS . 89.6 mt -70.6 -56.15 7.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.136 -0.484 . . . . 73.42 111.056 176.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -60.7 -26.91 67.48 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.398 -0.365 . . . . 73.21 111.788 -174.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.522 HD22 HD22 ' A' ' 15' ' ' LEU . 97.2 mt -83.52 -16.87 43.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.834 0.35 . . . . 74.04 111.616 -178.436 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.582 HH12 ' CD ' ' A' ' 37' ' ' GLU . 77.5 mtt85 -110.53 20.69 17.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.677 -0.238 . . . . 72.1 111.039 -179.43 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.2 m 65.29 28.35 11.92 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.995 -0.548 . . . . 63.45 111.544 178.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.464 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 46.1 mt -102.31 141.36 22.37 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.924 -0.58 . . . . 72.34 110.597 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 43' ' ' LEU . 25.6 Cg_exo -63.98 138.64 63.6 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.882 2.388 . . . . 74.11 111.709 175.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.8 m -98.18 17.25 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.04 -0.527 . . . . 54.31 111.343 -176.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.2 p -89.39 121.93 32.11 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.237 -0.438 . . . . 73.41 111.314 -177.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 142.05 172.85 13.76 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.83 -0.7 . . . . 63.42 112.685 177.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.681 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 21.7 p -80.21 176.81 9.43 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.39 -0.226 . . . . 74.03 110.39 176.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.512 ' HB2' HG22 ' A' ' 31' ' ' VAL . 80.8 tttt -54.61 -51.69 64.56 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.465 0.174 . . . . 71.32 111.466 -176.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.0 m -59.15 -39.45 82.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 74.3 110.829 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -62.98 -40.34 97.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.01 -0.541 . . . . 73.03 110.932 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' A' ' 48' ' ' THR . 44.7 mt -65.02 -45.67 84.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.039 -0.528 . . . . 63.34 110.052 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.48 ' O ' ' HD3' ' A' ' 57' ' ' ARG . 69.7 mt -60.59 -47.55 92.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.847 -0.615 . . . . 72.42 110.65 178.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -61.01 -40.04 92.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 71.35 111.487 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.441 ' HD3' ' HD2' ' A' ' 44' ' ' PRO . 36.5 ttm-85 -67.37 -37.87 83.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.864 0.364 . . . . 75.2 110.252 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.438 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . 66.1 mt -61.34 -46.79 88.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.005 -0.543 . . . . 75.13 110.493 174.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.48 ' HD3' ' O ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -63.23 -37.76 88.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.414 . . . . 74.32 111.464 179.23 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.27 -33.69 76.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.071 0.462 . . . . 72.24 110.778 177.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.537 ' O ' HG12 ' A' ' 63' ' ' ILE . 75.2 t80 -78.66 -46.08 19.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.123 -0.49 . . . . 73.3 110.572 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.592 ' OE1' ' HA ' ' A' ' 21' ' ' ALA . 48.9 tp60 -65.04 -33.06 75.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.292 -0.413 . . . . 73.34 111.672 -178.142 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -64.88 -42.82 94.51 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.67 0.271 . . . . 63.01 111.182 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.529 ' HG2' ' O ' ' A' ' 59' ' ' TYR . 11.4 pt20 -76.09 -11.45 59.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.332 -0.394 . . . . 71.13 110.868 -177.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.537 HG12 ' O ' ' A' ' 59' ' ' TYR . 46.2 mm -64.31 -36.33 76.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 N-CA-C 109.508 -0.552 . . . . 73.11 109.508 174.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.2 t -87.0 141.29 33.1 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.501 -0.772 . . . . 71.11 109.188 175.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -51.63 115.13 1.91 Allowed 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 123.141 2.561 . . . . 73.21 112.52 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 11.0 m -116.09 151.56 46.76 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.873 -0.603 . . . . 71.44 110.436 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 66' ' ' VAL . 11.4 Cg_exo -71.92 -24.62 20.74 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 123.091 2.527 . . . . 62.3 112.994 -178.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -92.41 -67.94 1.12 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.844 -0.693 . . . . 55.42 112.16 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.472 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . . . 74.44 145.65 0.11 Allowed Pre-proline 0 N--CA 1.467 0.382 0 C-N-CA 123.757 0.823 . . . . 70.41 111.5 178.402 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 69' ' ' ALA . 26.4 Cg_exo -64.02 -179.76 0.88 Allowed 'Trans proline' 0 C--O 1.237 0.447 0 C-N-CA 123.119 2.546 . . . . 74.45 112.761 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.92 37.08 21.73 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.803 -0.635 . . . . 71.44 110.552 -176.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -94.82 157.18 37.23 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.558 -0.747 . . . . 61.44 109.962 177.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.47 150.26 43.37 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.787 2.325 . . . . 64.34 112.288 178.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.73 7.74 28.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.096 -0.502 . . . . 51.11 111.497 -176.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.283 -0.865 . . . . 39.03 110.412 -179.546 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.0 mtp . . . . . 0 N--CA 1.478 0.936 0 CA-C-O 120.935 0.398 . . . . 71.34 110.33 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 94.41 173.14 38.46 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.773 -0.727 . . . . 74.11 112.978 177.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -157.47 130.64 7.72 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.135 -0.691 . . . . 64.14 109.135 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -136.73 96.81 3.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.895 0.378 . . . . 72.31 110.95 -176.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -135.28 109.3 8.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.106 -0.497 . . . . 75.24 111.055 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -108.85 107.79 18.33 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.694 -0.684 . . . . 73.21 109.567 175.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -72.32 86.43 1.11 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.084 -0.507 . . . . 64.35 110.25 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -94.51 -34.15 12.8 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.372 -0.603 . . . . 64.15 109.372 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 m -76.07 107.29 8.19 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.633 -0.877 . . . . 42.04 108.633 173.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -59.02 -52.19 66.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.114 -0.493 . . . . 74.45 111.661 -171.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 45.4 ttm -173.99 108.82 0.14 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 123.192 0.308 . . . . 74.12 110.409 -175.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.7 p -76.57 103.81 6.76 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.258 0.551 . . . . 61.14 110.235 176.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.0 m -99.24 125.99 39.47 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.981 -0.554 . . . . 74.21 111.279 -174.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -83.35 158.7 14.89 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.764 2.309 . . . . 75.1 112.5 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -133.63 120.4 20.63 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.55 -0.537 . . . . 54.25 109.55 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.9 t -164.05 149.54 10.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.195 -0.457 . . . . 54.05 110.181 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 143.09 164.68 10.33 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 121.079 -0.582 . . . . 41.2 112.027 178.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.538 ' HE2' ' HB3' ' A' ' 40' ' ' LEU . 99.6 mttt 68.99 98.51 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.342 0 C-N-CA 123.077 0.551 . . . . 75.33 111.128 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -76.71 154.89 34.92 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.977 2.451 . . . . 75.2 112.012 177.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.82 -40.66 25.5 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.587 -0.816 . . . . 65.12 111.326 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.47 -159.79 0.71 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.784 -0.45 . . . . 71.51 109.784 177.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.547 HD13 ' HB3' ' A' ' 56' ' ' LEU . 89.8 mt -121.93 150.56 56.3 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.885 -0.413 . . . . 62.12 109.885 176.325 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -74.72 157.22 44.11 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.271 1.98 . . . . 71.21 111.292 173.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.32 -14.96 61.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.67 0.747 . . . . 64.31 110.169 177.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.897 ' HB3' ' HB3' ' A' ' 28' ' ' ASP . 4.2 m-20 -93.44 41.34 1.08 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.352 -0.84 . . . . 74.34 111.646 -175.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.3 mt -63.56 -35.21 79.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 73.25 111.013 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -81.66 -21.14 38.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.228 0.537 . . . . 71.1 110.386 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.897 ' HB3' ' HB3' ' A' ' 25' ' ' ASN . 35.2 t70 -76.73 -24.54 53.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.65 -0.705 . . . . 73.55 109.433 177.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 85.8 mtp -79.24 153.86 29.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.515 -0.766 . . . . 71.51 109.835 173.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.464 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 44.9 mttp -86.55 176.69 7.69 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.883 0.373 . . . . 73.33 110.684 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.443 HG13 HD11 ' A' ' 52' ' ' LEU . 69.1 t -62.5 -36.09 73.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.768 -0.651 . . . . 64.11 110.453 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.99 -59.11 4.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.865 -0.607 . . . . 54.24 111.855 -177.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.405 ' OE1' ' HB2' ' A' ' 30' ' ' LYS . 1.0 OUTLIER -61.71 -29.31 70.02 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 112.002 0.371 . . . . 61.35 112.002 -179.257 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 65.3 mt -64.8 -41.02 96.14 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.77 -0.372 . . . . 75.3 110.328 175.306 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.514 ' HA ' HD12 ' A' ' 38' ' ' LEU . 98.4 mttt -70.31 -28.95 65.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 71.23 110.852 177.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 90.5 mm-40 -60.15 -44.46 94.95 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.494 -0.321 . . . . 73.52 110.401 177.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -60.33 -48.84 80.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.027 0.441 . . . . 74.21 110.409 174.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.548 ' HA ' ' HB2' ' A' ' 43' ' ' LEU . 76.1 mt -57.51 -51.77 68.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.84 -0.618 . . . . 54.04 111.746 -177.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.483 ' HB3' HG11 ' A' ' 45' ' ' VAL . 18.0 ptmt -70.97 -19.26 62.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.796 0.331 . . . . 72.24 111.768 -173.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.538 ' HB3' ' HE2' ' A' ' 18' ' ' LYS . 64.9 mt -87.01 -32.28 20.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.824 0.345 . . . . 70.21 111.187 176.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -103.87 24.92 10.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.319 -0.4 . . . . 60.5 111.573 -172.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.1 t 63.62 39.0 9.14 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.562 0.696 . . . . 61.34 111.174 173.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.548 ' HB2' ' HA ' ' A' ' 38' ' ' LEU . 40.9 mt -116.51 146.22 37.01 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.814 -0.63 . . . . 74.12 110.605 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.551 ' HD2' ' HD3' ' A' ' 55' ' ' ARG . 30.7 Cg_exo -62.62 120.86 8.57 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.704 2.269 . . . . 65.01 111.984 175.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.543 HG12 ' HB2' ' A' ' 38' ' ' LEU . 33.4 m -83.66 -13.7 11.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.309 -0.405 . . . . 55.54 111.446 -178.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.6 p -71.68 130.56 41.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.21 -0.45 . . . . 42.03 110.768 -178.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 142.5 167.36 11.38 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.984 -0.627 . . . . 73.12 112.027 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.686 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 12.7 p -87.38 -178.12 6.09 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 122.175 0.19 . . . . 64.3 110.989 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.523 ' HE2' HD11 ' A' ' 53' ' ' ILE . 24.3 tptm -53.63 -47.38 70.33 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.508 -0.315 . . . . 61.42 110.968 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.4 m -60.91 -44.55 97.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.062 -0.517 . . . . 75.1 110.864 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -59.51 -47.91 83.68 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.076 -0.511 . . . . 60.11 110.971 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' A' ' 48' ' ' THR . 49.7 mt -58.4 -47.32 84.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.876 -0.602 . . . . 70.33 110.712 -177.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.523 HD11 ' HE2' ' A' ' 49' ' ' LYS . 81.7 mt -60.3 -51.56 71.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.978 -0.555 . . . . 65.41 111.104 -179.219 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -65.38 -40.4 93.48 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.76 0.281 . . . . 74.34 111.76 -177.025 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.551 ' HD3' ' HD2' ' A' ' 44' ' ' PRO . 36.0 ttm180 -62.69 -40.74 98.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.852 0.358 . . . . 72.24 110.554 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.547 ' HB3' HD13 ' A' ' 22' ' ' LEU . 65.2 mt -64.52 -45.24 88.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.106 -0.497 . . . . 65.11 110.702 175.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -58.18 -44.34 87.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 73.2 111.275 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.89 -37.56 81.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.357 -0.383 . . . . 62.15 110.972 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.411 ' CD2' HD11 ' A' ' 43' ' ' LEU . 48.3 t80 -67.95 -50.42 56.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 62.33 111.588 -179.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.5 -29.1 68.44 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.046 -0.262 . . . . 71.51 110.931 -176.404 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -55.14 -41.15 71.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.997 0.427 . . . . 62.44 110.881 178.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -67.03 -28.3 68.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.676 -0.693 . . . . 64.31 110.665 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 57.3 mt -81.76 -60.95 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.867 -0.606 . . . . 73.33 110.092 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.6 m -142.1 139.88 18.64 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.836 -0.62 . . . . 74.4 110.354 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -68.43 170.52 14.72 Favored 'Trans proline' 0 C--O 1.237 0.429 0 C-N-CA 122.401 2.067 . . . . 73.13 112.289 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.4 m -61.48 148.39 86.2 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.012 -0.54 . . . . 54.32 111.172 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.79 -59.35 0.21 Allowed 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.894 2.396 . . . . 64.12 112.606 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -143.17 87.16 0.18 Allowed Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 111.392 -0.683 . . . . 75.42 111.392 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.472 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . . . 71.56 141.57 0.08 OUTLIER Pre-proline 0 N--CA 1.463 0.224 0 C-N-CA 123.392 0.677 . . . . 50.5 111.076 -176.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 69' ' ' ALA . 14.7 Cg_exo -68.84 109.8 2.21 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 122.616 2.21 . . . . 75.31 111.333 176.453 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -69.42 94.0 0.7 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.969 0.414 . . . . 61.43 110.821 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.523 ' N ' ' HD3' ' A' ' 73' ' ' PRO . . . -154.84 59.73 2.45 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.771 -0.65 . . . . 52.42 111.15 176.123 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.523 ' HD3' ' N ' ' A' ' 72' ' ' ALA . 37.1 Cg_endo -96.55 83.44 0.09 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.292 0 C-N-CA 123.1 2.534 . . . . 73.42 111.061 176.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 55.69 66.79 1.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.34 0.591 . . . . 73.53 110.349 -173.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-N 115.706 -0.679 . . . . 38.29 110.112 -177.131 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.8 0.333 . . . . 74.35 110.396 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 171.13 128.68 1.05 Allowed Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 121.093 -0.575 . . . . 51.31 111.741 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -99.67 84.63 2.97 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 110.024 -0.361 . . . . 74.52 110.024 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -174.43 106.73 0.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.631 -0.713 . . . . 73.44 110.388 -176.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.4 p-80 -141.72 105.09 4.65 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.23 0.538 . . . . 72.44 109.62 173.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -71.51 92.14 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.843 -0.617 . . . . 72.53 110.684 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.6 t-160 -167.71 94.64 0.42 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.578 -0.737 . . . . 53.32 109.099 178.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -78.98 105.48 10.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.902 -0.59 . . . . 63.12 110.31 -175.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.1 p -108.16 -47.78 3.48 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.253 -0.43 . . . . 74.31 111.542 -178.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 62.37 27.8 16.55 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.969 0.89 . . . . 74.5 109.065 -174.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 49.7 ttm -91.17 -4.12 56.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.044 -0.98 . . . . 61.11 110.752 -175.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.9 t -104.17 124.7 49.58 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.804 -0.443 . . . . 45.33 109.804 177.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.7 p -99.86 138.99 20.46 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.512 -0.313 . . . . 70.14 111.164 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -64.59 126.17 16.31 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.705 2.27 . . . . 73.21 111.009 173.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.3 tp -135.92 130.69 34.15 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.481 -0.327 . . . . 72.22 110.669 -175.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.3 m -71.41 -44.56 64.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.269 -0.423 . . . . 75.45 110.048 175.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.58 28.41 4.01 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.456 -0.878 . . . . 60.41 112.89 174.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.425 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 27.3 mmtp -80.14 147.4 65.08 Favored Pre-proline 0 C--N 1.323 -0.574 0 C-N-CA 120.732 -0.387 . . . . 74.44 110.417 177.661 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 18' ' ' LYS . 25.5 Cg_exo -62.48 147.34 95.01 Favored 'Trans proline' 0 C--O 1.237 0.46 0 C-N-CA 122.924 2.416 . . . . 64.11 112.622 -178.027 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.15 47.29 3.49 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.798 -0.637 . . . . 51.04 111.615 175.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.1 159.8 42.01 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.056 -0.35 . . . . 74.32 110.056 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.3 mt -121.84 142.72 36.78 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.707 0.289 . . . . 75.02 111.167 -176.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.464 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 60.7 Cg_endo -75.88 151.3 35.52 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.568 2.178 . . . . 64.35 111.304 172.227 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.55 18.72 1.43 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.094 0.473 . . . . 70.33 111.146 -178.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.441 ' HB3' ' HB2' ' A' ' 28' ' ' ASP . 20.7 m120 -123.07 33.6 5.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.214 -0.448 . . . . 72.24 110.339 178.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 23' ' ' PRO . 90.9 mt -61.47 -28.93 69.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 60.05 111.279 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -81.69 -24.71 36.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.982 0.42 . . . . 65.4 110.38 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.441 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 6.6 m-20 -69.48 -28.2 65.86 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.504 -0.554 . . . . 75.34 109.504 173.277 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 88.1 mtp -73.78 155.76 38.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.475 -0.784 . . . . 73.21 110.261 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.483 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 50.5 mttp -78.52 168.81 19.23 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.236 -0.438 . . . . 72.44 111.179 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.5 t -64.71 -43.27 96.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.015 -0.539 . . . . 72.32 110.36 177.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.73 -38.08 86.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.985 -0.552 . . . . 74.4 110.594 177.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.483 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 9.2 mm-40 -56.76 -50.2 72.97 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.763 -0.653 . . . . 63.52 110.741 176.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.97 -43.9 98.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.686 -0.688 . . . . 71.23 110.589 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.512 ' HE2' ' O ' ' A' ' 45' ' ' VAL . 93.3 mttt -61.43 -40.92 96.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.113 -0.494 . . . . 72.02 111.479 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -60.43 -46.81 88.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.724 0.297 . . . . 65.03 110.322 177.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -63.58 -33.51 75.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.185 -0.461 . . . . 73.34 111.255 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.435 ' HB2' HG12 ' A' ' 45' ' ' VAL . 71.2 mt -68.4 -58.19 4.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 71.14 111.063 177.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.47 ' HE2' HG11 ' A' ' 45' ' ' VAL . 18.3 ptpt -64.46 -26.09 68.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.496 -0.32 . . . . 75.52 111.697 -173.258 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.7 mt -80.85 -10.76 59.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.71 0.29 . . . . 60.22 111.176 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 75.0 mtt85 -115.23 18.34 16.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.32 -0.4 . . . . 71.24 110.825 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t 71.41 16.83 5.94 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.689 0.618 . . . . 71.2 111.549 176.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.9 mt -94.74 144.85 28.56 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.231 -0.44 . . . . 62.01 110.967 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.542 ' HG2' ' HD3' ' A' ' 55' ' ' ARG . 28.8 Cg_endo -64.59 140.07 66.92 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.404 2.07 . . . . 64.2 111.558 174.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.512 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 23.4 m -101.27 0.25 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 112.011 0.374 . . . . 61.34 112.011 -175.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.1 m -82.41 128.44 34.25 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.899 0.38 . . . . 54.14 111.134 -178.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.08 172.57 18.93 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.017 -0.611 . . . . 72.35 111.695 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.578 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 28.8 p -85.75 179.98 6.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 117.017 0.408 . . . . 74.05 111.065 178.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -53.15 -55.03 27.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 71.14 111.776 -176.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.0 m -65.36 -37.87 88.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.542 -0.299 . . . . 65.14 111.284 -177.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -63.98 -41.68 97.46 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.488 -0.324 . . . . 75.34 111.35 -178.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 48' ' ' THR . 73.1 mt -63.8 -41.67 97.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.96 0.409 . . . . 73.52 110.5 179.165 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.435 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 75.9 mt -61.37 -48.48 88.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.848 -0.614 . . . . 74.21 110.315 176.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.43 ' OE1' ' HD3' ' A' ' 57' ' ' ARG . 2.0 tp10 -62.07 -40.5 96.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.732 -0.667 . . . . 73.34 111.082 -177.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.542 ' HD3' ' HG2' ' A' ' 44' ' ' PRO . 37.8 ttm180 -62.68 -41.91 99.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.814 -0.63 . . . . 74.25 110.616 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.9 mt -61.79 -44.16 97.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.073 -0.512 . . . . 71.41 110.337 174.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 84.0 mtp180 -60.21 -45.1 94.34 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.968 -0.56 . . . . 70.14 111.146 -179.054 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.84 -47.14 86.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.835 0.35 . . . . 41.43 110.775 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.418 ' O ' HG13 ' A' ' 63' ' ' ILE . 73.4 t80 -61.39 -43.77 98.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.854 -0.612 . . . . 52.3 111.018 -179.051 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -71.48 -41.85 68.82 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.978 -0.556 . . . . 61.42 111.323 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -65.48 -39.9 92.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.267 -0.424 . . . . 54.41 111.758 -174.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -79.61 3.04 20.21 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.743 0.275 . . . . 71.41 111.743 -175.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 59' ' ' TYR . 69.3 mt -71.58 -37.06 62.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.895 -0.409 . . . . 65.04 109.895 175.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 t -85.28 122.28 73.77 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.964 -0.562 . . . . 51.2 109.835 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.01 174.06 11.87 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.651 2.234 . . . . 61.32 112.419 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 16.4 m -86.62 136.95 34.29 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.361 -0.382 . . . . 74.41 111.136 -178.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 66' ' ' VAL . 39.7 Cg_exo -61.14 -44.05 26.1 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.253 2.636 . . . . 74.12 112.792 -177.007 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -72.27 -52.9 9.71 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.602 -0.809 . . . . 70.04 111.947 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . . . 65.59 119.88 0.02 OUTLIER Pre-proline 0 N--CA 1.466 0.33 0 C-N-CA 123.397 0.679 . . . . 61.22 112.759 175.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 69' ' ' ALA . 13.2 Cg_exo -68.78 153.59 72.72 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.409 2.072 . . . . 73.03 110.493 172.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -73.52 85.0 1.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.166 0.508 . . . . 74.21 109.87 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -156.81 151.45 20.57 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.443 -0.799 . . . . 71.23 109.204 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -56.62 100.72 0.09 OUTLIER 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.727 2.285 . . . . 71.22 112.692 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -105.11 79.35 1.48 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 121.361 0.6 . . . . 55.22 110.492 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.888 0 CA-C-O 118.281 -0.866 . . . . 71.45 109.696 178.94 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.4 mtm . . . . . 0 N--CA 1.483 1.209 0 CA-C-O 120.632 0.254 . . . . 74.33 110.438 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.46 -95.64 0.21 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.908 -0.663 . . . . 51.41 111.868 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -90.31 112.61 24.23 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.907 0.384 . . . . 63.11 110.245 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -94.32 -42.31 8.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.967 -0.56 . . . . 72.51 110.244 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -84.75 86.88 7.29 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.787 -0.642 . . . . 64.33 110.054 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -84.61 -62.89 1.44 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.867 -0.606 . . . . 74.21 110.751 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 39.0 p-80 -75.38 142.86 43.04 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.562 -0.455 . . . . 73.13 109.847 -178.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -111.08 164.19 13.09 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.264 -0.425 . . . . 61.3 110.123 -177.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 m -121.16 24.73 9.93 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.376 0.607 . . . . 55.22 110.032 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -121.17 100.25 6.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.65 -0.705 . . . . 74.22 110.552 -176.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 91.7 mmm 53.0 28.54 6.78 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 123.585 0.553 . . . . 62.41 111.181 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.4 m -95.72 90.65 5.75 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.171 0.51 . . . . 65.54 111.499 -171.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 2.8 p -118.9 122.5 29.68 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.853 -0.612 . . . . 63.33 110.082 174.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 14.4 Cg_exo -67.95 92.03 0.38 Allowed 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.657 2.238 . . . . 60.53 112.097 -178.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -112.73 103.58 11.61 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.108 -0.701 . . . . 63.33 109.108 176.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.1 p -94.73 95.09 8.5 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.178 0.514 . . . . 73.13 110.855 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -133.72 117.23 1.83 Allowed Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.581 -0.736 . . . . 75.35 111.29 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -99.13 120.59 57.91 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-O 120.684 0.278 . . . . 64.31 110.549 -178.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -83.64 141.89 10.04 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 122.618 2.212 . . . . 65.21 112.224 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.15 -24.87 58.68 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.7 -0.762 . . . . 71.42 111.67 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.26 -159.73 0.97 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.55 -0.537 . . . . 74.43 109.55 178.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.6 mt -122.34 146.0 45.95 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 109.848 -0.427 . . . . 72.41 109.848 175.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.87 164.5 16.28 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.473 2.116 . . . . 71.23 111.889 174.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.23 4.64 53.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.217 0.532 . . . . 72.53 110.551 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -120.61 42.38 3.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.813 -0.63 . . . . 71.13 110.993 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.8 mt -67.43 -29.15 68.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.4 0.619 . . . . 71.55 109.422 176.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.47 -29.69 70.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.154 -0.93 . . . . 72.43 110.445 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -77.38 -26.92 52.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.619 -0.719 . . . . 63.42 110.909 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 88.2 mtp -74.46 160.26 31.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.886 -0.597 . . . . 74.31 110.963 -176.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.53 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 37.7 mttp -95.38 177.18 5.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.097 -0.501 . . . . 73.13 110.576 -178.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.434 HG13 HD11 ' A' ' 52' ' ' LEU . 84.5 t -63.05 -46.0 97.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.858 -0.61 . . . . 63.44 110.517 177.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.17 -37.88 86.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.875 -0.602 . . . . 73.01 111.194 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.53 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 5.0 mm-40 -66.61 -44.9 80.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 52.24 109.976 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 96.9 mt -66.17 -29.65 69.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.767 -0.652 . . . . 64.44 111.243 -177.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.548 ' HG2' ' HB ' ' A' ' 45' ' ' VAL . 93.0 mttt -58.91 -33.53 70.65 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.527 -0.306 . . . . 71.23 111.507 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -66.91 -42.77 84.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.649 -0.25 . . . . 72.12 110.938 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -67.56 -32.05 72.55 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.032 0.444 . . . . 74.34 110.61 178.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.514 HD13 ' HA ' ' A' ' 45' ' ' VAL . 78.9 mt -71.51 -52.79 16.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.941 -0.572 . . . . 74.04 111.094 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -60.76 -32.34 71.65 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.656 0.265 . . . . 72.22 111.706 -175.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.3 mt -76.07 -12.96 60.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.859 0.361 . . . . 62.42 111.378 -178.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 54.3 mtt-85 -117.57 15.35 14.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.264 -0.425 . . . . 73.02 110.682 -178.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.1 t 65.34 26.16 12.07 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.608 -0.723 . . . . 74.25 110.882 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.421 HD22 ' HG2' ' A' ' 55' ' ' ARG . 47.0 mt -93.8 145.58 30.14 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.022 -0.535 . . . . 73.54 111.287 -178.091 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -64.44 128.86 22.32 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.826 2.351 . . . . 72.43 112.067 176.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.548 ' HB ' ' HG2' ' A' ' 35' ' ' LYS . 27.2 m -93.17 1.35 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.908 -0.587 . . . . 73.13 111.242 -176.189 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.5 p -96.71 136.35 37.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.958 -0.564 . . . . 53.42 110.986 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 138.63 177.84 15.71 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 116.003 -0.544 . . . . 74.54 111.965 178.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.565 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 51.7 p -73.34 160.63 31.53 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.543 0.171 . . . . 73.14 110.616 178.328 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.537 ' HE2' HD11 ' A' ' 53' ' ' ILE . 87.3 tttt -56.67 -38.83 72.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.778 0.323 . . . . 72.3 110.387 178.107 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.2 m -56.22 -48.84 75.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.873 -0.603 . . . . 54.43 110.328 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -58.58 -48.65 80.24 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 115.851 -0.613 . . . . 72.42 110.727 177.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 48' ' ' THR . 49.8 mt -56.72 -51.69 67.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.348 -0.387 . . . . 75.11 111.375 -176.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.537 HD11 ' HE2' ' A' ' 49' ' ' LYS . 71.1 mt -62.69 -51.1 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.016 0.436 . . . . 74.14 110.991 -178.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -66.64 -33.08 74.85 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.112 -0.495 . . . . 74.5 111.656 -176.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.421 ' HG2' HD22 ' A' ' 43' ' ' LEU . 38.3 ttm180 -67.57 -40.07 84.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.293 -0.412 . . . . 64.14 110.16 178.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.3 mt -64.0 -46.73 83.21 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.942 -0.572 . . . . 51.42 110.5 174.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -55.67 -55.61 30.19 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 115.923 -0.58 . . . . 71.32 110.546 178.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.62 -35.68 74.82 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.349 0.406 . . . . 63.22 111.674 -177.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -68.05 -46.23 71.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.482 -0.326 . . . . 71.23 110.908 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.416 ' HA ' HD12 ' A' ' 63' ' ' ILE . 18.1 tm0? -79.49 -29.35 41.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.424 -0.353 . . . . 74.33 110.809 -176.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -61.18 -46.64 89.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.119 -0.491 . . . . 74.41 111.116 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -73.84 -5.42 40.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.095 -0.502 . . . . 72.45 112.028 -176.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 60' ' ' GLN . 70.4 mt -72.59 -27.83 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.283 0.563 . . . . 74.42 109.884 176.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.0 t -96.18 147.07 32.4 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.765 -0.652 . . . . 73.05 109.426 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -59.79 107.74 0.42 Allowed 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 122.48 2.12 . . . . 72.14 111.368 175.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.413 HG23 ' HA ' ' A' ' 69' ' ' ALA . 19.4 m -113.92 148.23 39.47 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.988 -0.551 . . . . 75.44 110.872 -178.022 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 66' ' ' VAL . 41.4 Cg_exo -56.58 118.18 4.97 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.101 2.534 . . . . 65.53 112.02 179.235 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.75 -43.16 2.75 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.124 -0.56 . . . . 72.22 112.244 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.413 ' HA ' HG23 ' A' ' 66' ' ' VAL . . . 58.2 92.92 0.06 OUTLIER Pre-proline 0 N--CA 1.465 0.305 0 C-N-CA 122.982 0.513 . . . . 74.45 111.174 -177.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -57.09 112.65 1.17 Allowed 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.878 2.385 . . . . 43.44 112.995 -176.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -69.15 144.38 53.84 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.859 -0.793 . . . . 71.11 108.859 173.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.426 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . . . -48.66 112.26 2.28 Favored Pre-proline 0 N--CA 1.466 0.367 0 O-C-N 123.548 0.53 . . . . 74.25 111.732 -175.14 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 72' ' ' ALA . 16.7 Cg_endo -92.03 131.64 1.19 Allowed 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 123.252 2.635 . . . . 64.2 112.774 -178.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -102.94 143.66 32.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.828 -0.624 . . . . 75.44 110.238 175.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.592 -0.718 . . . . 37.74 110.216 -179.223 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.2 ttp . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.719 0.295 . . . . 71.11 110.471 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.41 155.25 31.74 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.725 -0.75 . . . . 52.44 112.537 176.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -121.02 113.14 19.64 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.823 -0.806 . . . . 71.54 108.823 178.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -82.33 144.0 30.88 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.657 -0.247 . . . . 72.21 110.419 -174.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -51.06 -47.32 61.81 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.55 0.531 . . . . 65.25 112.359 -177.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -87.41 123.11 32.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.94 0.4 . . . . 60.3 111.056 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -144.76 117.96 8.94 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.815 -0.809 . . . . 62.4 108.815 175.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -85.54 73.11 10.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.539 0.685 . . . . 55.32 111.483 -178.221 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.4 m -78.49 116.16 18.69 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.343 -0.844 . . . . 64.34 110.808 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -149.45 147.44 28.24 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.05 -0.523 . . . . 65.12 109.67 178.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.427 ' O ' ' HG3' ' A' ' 11' ' ' MET . 13.7 ptp -116.95 99.79 7.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.46 0.647 . . . . 72.31 111.037 178.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.9 p -101.68 -4.99 25.57 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.759 -0.655 . . . . 74.41 109.792 176.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.424 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 6.1 p -129.58 143.16 47.87 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.046 -0.979 . . . . 71.01 110.108 177.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 15.8 Cg_exo -68.44 146.42 68.29 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.725 2.283 . . . . 51.34 111.804 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.4 tp -79.02 154.16 29.69 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.03 -0.532 . . . . 72.04 110.087 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.3 t -76.49 165.82 24.28 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.078 -0.51 . . . . 41.53 110.283 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -92.91 -139.95 9.57 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.732 -0.747 . . . . 75.12 112.825 -177.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.404 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 12.2 mptt 63.87 78.9 0.27 Allowed Pre-proline 0 N--CA 1.464 0.244 0 CA-C-O 121.079 0.466 . . . . 72.43 110.534 -177.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.4 -4.12 14.35 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.009 2.473 . . . . 64.11 113.084 -174.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.81 -10.46 72.2 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.985 -0.626 . . . . 72.15 112.111 178.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.24 -174.12 3.66 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.291 -0.263 . . . . 60.44 110.291 178.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.569 HD13 ' HB3' ' A' ' 56' ' ' LEU . 73.8 mt -128.31 152.08 77.45 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 109.809 -0.441 . . . . 72.45 109.809 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.465 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 30.3 Cg_endo -64.88 136.48 49.09 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.365 2.043 . . . . 72.2 111.464 174.379 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.56 -24.73 66.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.962 0.411 . . . . 75.12 111.69 -179.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.555 ' HB3' ' HB2' ' A' ' 28' ' ' ASP . 18.8 m120 -83.68 53.51 2.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.362 -0.381 . . . . 74.13 111.547 -177.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 23' ' ' PRO . 79.9 mt -74.14 -20.43 60.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.351 -0.386 . . . . 74.4 111.666 -178.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -88.77 -27.5 21.1 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.406 -0.518 . . . . 61.41 110.104 178.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.555 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 11.6 m-20 -69.72 -25.44 63.85 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.486 -0.561 . . . . 72.31 109.486 173.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.409 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 86.8 mmm -69.19 141.75 54.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.472 -0.785 . . . . 71.1 109.932 172.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.544 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 73.7 mttt -76.95 167.49 21.74 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.159 -0.473 . . . . 62.42 110.332 -177.072 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.6 t -62.8 -47.62 92.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.932 0.396 . . . . 74.31 110.545 -178.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.36 -35.7 81.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.899 -0.591 . . . . 62.45 111.079 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.544 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 5.0 mm-40 -69.13 -38.01 78.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.019 -0.537 . . . . 62.42 110.601 -178.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 96.7 mt -63.61 -41.46 98.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.154 0.502 . . . . 75.03 110.069 175.434 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.567 ' HA ' HD12 ' A' ' 38' ' ' LEU . 99.4 mttt -68.6 -22.29 64.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.723 -0.672 . . . . 62.34 111.398 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 83.2 mm-40 -68.72 -40.03 80.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.836 0.351 . . . . 65.33 110.279 175.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -74.13 -36.54 64.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.293 -0.412 . . . . 64.1 110.096 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.567 HD12 ' HA ' ' A' ' 35' ' ' LYS . 91.5 mt -58.7 -54.26 49.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.799 -0.637 . . . . 62.55 111.202 178.632 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 12.5 ptpt -60.16 -33.91 72.84 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.746 0.308 . . . . 71.42 111.743 -176.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.9 mt -77.05 -24.52 51.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.593 -0.276 . . . . 70.04 111.392 -176.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -108.4 22.97 15.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.598 -0.274 . . . . 71.24 111.298 -176.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.9 m 64.28 33.27 11.68 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.026 -0.534 . . . . 53.01 111.716 175.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.412 ' HB3' HD22 ' A' ' 38' ' ' LEU . 46.1 mt -109.92 142.58 26.16 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.113 -0.494 . . . . 73.15 110.663 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.425 ' HD2' ' HD3' ' A' ' 55' ' ' ARG . 17.1 Cg_exo -68.02 152.49 76.66 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.004 2.469 . . . . 73.12 111.93 177.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.537 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 35.3 m -106.93 2.21 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.083 -0.508 . . . . 72.44 111.48 -175.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.8 t -83.64 146.09 28.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.32 -0.4 . . . . 73.12 110.699 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.1 175.42 14.38 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 116.057 -0.519 . . . . 60.24 111.807 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.572 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 26.9 p -81.27 167.92 19.03 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.169 -0.308 . . . . 71.42 110.169 176.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.467 ' O ' HG13 ' A' ' 53' ' ' ILE . 64.5 tttm -58.05 -43.86 87.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.749 0.309 . . . . 73.32 110.656 -178.509 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.7 m -58.41 -45.02 89.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 74.12 110.906 179.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -65.57 -40.14 92.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 74.4 111.1 -178.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 48' ' ' THR . 81.0 mt -60.09 -42.6 94.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.932 0.396 . . . . 71.55 110.05 177.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 49' ' ' LYS . 87.4 mt -61.71 -50.08 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.64 -0.709 . . . . 74.13 110.757 178.205 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 57' ' ' ARG . 42.6 mt-10 -70.18 -30.33 67.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.337 -0.392 . . . . 65.23 111.478 -177.438 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.425 ' HD3' ' HD2' ' A' ' 44' ' ' PRO . 48.6 ttm-85 -61.6 -46.36 90.17 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.423 -0.584 . . . . 73.12 109.423 175.255 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.569 ' HB3' HD13 ' A' ' 22' ' ' LEU . 68.4 mt -58.49 -48.77 79.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.756 -0.656 . . . . 75.2 110.732 175.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.418 ' HD3' ' HA ' ' A' ' 54' ' ' GLU . 79.1 mtp180 -55.84 -51.8 66.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.724 -0.671 . . . . 73.04 111.293 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.93 -44.16 93.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.961 -0.563 . . . . 44.55 111.409 -177.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.458 ' O ' HG12 ' A' ' 63' ' ' ILE . 86.5 t80 -65.72 -43.04 90.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.394 -0.366 . . . . 75.52 111.269 -177.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.546 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 23.4 tm0? -68.46 -37.87 80.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.832 0.349 . . . . 75.02 110.722 -178.271 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -68.16 -29.05 67.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.462 -0.336 . . . . 65.11 110.887 -175.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -89.89 -0.36 57.52 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.686 0.279 . . . . 73.44 111.209 178.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 59' ' ' TYR . 39.2 mm -64.63 -36.99 78.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 N-CA-C 109.18 -0.674 . . . . 72.05 109.18 173.417 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.2 m -96.74 121.0 60.79 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.302 -0.863 . . . . 72.12 110.13 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -61.45 111.89 1.27 Allowed 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.559 2.173 . . . . 63.43 111.281 177.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.444 HG21 ' HB3' ' A' ' 69' ' ' ALA . 15.3 m -64.1 146.16 97.62 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.129 -0.487 . . . . 72.32 111.077 -178.248 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.79 -64.51 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.125 2.55 . . . . 54.34 112.92 -177.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -143.39 66.8 0.45 Allowed Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.515 -0.85 . . . . 64.33 111.99 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.444 ' HB3' HG21 ' A' ' 66' ' ' VAL . . . -140.87 145.48 39.81 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 110.295 -0.261 . . . . 74.44 110.295 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 69' ' ' ALA . 5.2 Cg_exo -79.54 137.01 12.71 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.971 2.448 . . . . 74.13 111.93 177.487 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -87.19 63.81 8.02 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.21 0.529 . . . . 72.32 109.788 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -151.7 81.13 5.98 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.872 -0.604 . . . . 64.2 110.884 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -83.5 -168.48 0.57 Allowed 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.998 2.465 . . . . 51.34 112.023 178.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 60.63 80.23 0.22 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.663 -0.699 . . . . 74.43 111.291 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.765 -0.636 . . . . 51.01 110.028 177.793 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtm . . . . . 0 N--CA 1.478 0.933 0 CA-C-O 120.599 0.238 . . . . 73.32 110.372 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.93 134.81 14.05 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.772 -0.728 . . . . 42.13 111.553 176.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -72.31 -31.67 65.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.839 0.352 . . . . 72.23 110.981 -176.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -71.89 -10.79 60.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.222 -0.445 . . . . 72.45 110.995 179.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -82.67 87.25 6.74 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.214 -0.662 . . . . 71.01 109.214 175.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -137.33 119.63 15.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.94 -0.573 . . . . 65.51 110.159 -178.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -76.11 126.81 31.69 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.921 -0.581 . . . . 73.22 110.014 177.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 48.5 p-80 -102.76 127.94 49.7 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.491 -0.559 . . . . 71.33 109.491 177.036 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.6 m -104.34 -31.13 9.69 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.236 -0.438 . . . . 71.31 110.963 -177.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -134.49 174.91 10.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.471 -0.331 . . . . 73.35 111.073 -178.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 16.8 tmm? -91.02 125.72 35.9 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.862 -0.608 . . . . 73.22 109.999 -177.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.0 m -115.64 -57.24 2.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.241 -0.436 . . . . 63.11 111.24 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.439 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 15.2 p -138.84 138.43 21.47 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.609 -0.269 . . . . 75.42 110.791 -179.208 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 13.0 Cg_exo -70.51 105.22 1.57 Allowed 'Trans proline' 0 N--CA 1.464 -0.21 0 C-N-CA 122.661 2.241 . . . . 75.44 111.037 173.269 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -92.02 -59.74 2.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.058 0.456 . . . . 71.22 109.782 -175.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.4 p -88.82 90.02 8.23 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.991 -0.55 . . . . 62.3 110.638 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.77 43.69 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.776 -0.647 . . . . 70.24 111.781 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -97.65 117.73 64.98 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 120.763 0.316 . . . . 64.23 110.838 -178.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.89 126.53 9.46 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 123.008 2.472 . . . . 63.44 111.693 176.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.69 -13.48 22.03 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.903 -0.665 . . . . 75.21 111.693 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.49 -176.04 3.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.708 0.29 . . . . 62.55 110.929 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.548 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 67.8 mt -112.64 160.44 30.53 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.106 -0.497 . . . . 71.32 110.28 -178.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -71.54 150.27 57.1 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.399 2.066 . . . . 75.24 110.91 168.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.72 13.85 9.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.878 0.37 . . . . 54.23 111.528 -175.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.44 ' HB3' ' HB3' ' A' ' 28' ' ' ASP . 87.6 m-20 -124.19 42.37 3.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.289 -0.414 . . . . 74.54 110.528 -176.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.9 mt -58.63 -35.29 72.25 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.383 0.512 . . . . 75.11 112.383 -175.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -82.31 -18.94 40.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.002 0.429 . . . . 61.11 110.923 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.44 ' HB3' ' HB3' ' A' ' 25' ' ' ASN . 11.7 t70 -80.98 -14.42 57.97 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.688 0.756 . . . . 72.52 109.349 177.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 81.0 mtp -84.94 166.28 16.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.778 -1.101 . . . . 62.11 109.737 175.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.567 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 58.2 mttp -83.37 172.43 12.5 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.845 0.355 . . . . 75.12 110.557 -177.694 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.508 HG12 ' HE3' ' A' ' 35' ' ' LYS . 45.5 t -69.06 -38.47 78.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.075 0.464 . . . . 70.35 110.045 179.022 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.85 -36.8 85.12 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.755 -0.657 . . . . 73.24 110.523 177.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.567 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 56.5 mm-40 -60.25 -49.8 76.18 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.934 -0.575 . . . . 63.54 110.464 178.068 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.7 mt -59.95 -41.54 92.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.997 -0.547 . . . . 61.23 111.259 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.508 ' HE3' HG12 ' A' ' 31' ' ' VAL . 95.7 mttt -60.01 -41.0 91.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 72.52 110.683 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -64.03 -47.14 81.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 74.14 110.72 176.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.413 ' HA ' ' OE1' ' A' ' 37' ' ' GLU . 6.7 mm-40 -57.52 -36.05 71.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 52.15 110.962 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.436 ' CD1' HD22 ' A' ' 52' ' ' LEU . 81.6 mt -69.44 -58.67 3.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.052 -0.522 . . . . 54.3 111.469 178.385 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -66.76 -26.91 67.2 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.152 0.427 . . . . 74.01 112.152 -172.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.3 mt -71.72 -12.32 61.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.819 0.342 . . . . 43.33 110.702 177.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 80.1 mtt85 -122.56 22.91 9.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 74.51 110.848 -178.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.8 m 61.81 38.57 14.69 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.735 -0.666 . . . . 71.14 111.72 176.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.439 HD21 ' HB2' ' A' ' 59' ' ' TYR . 43.6 mt -111.78 145.63 33.08 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.168 -0.469 . . . . 74.54 110.993 178.405 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.3 142.2 49.31 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.785 2.323 . . . . 74.11 111.914 176.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.1 m -101.81 9.7 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.252 -0.431 . . . . 70.14 111.199 -176.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.0 m -81.7 108.26 15.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.194 -0.457 . . . . 73.44 110.944 -179.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 165.91 -172.53 41.34 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.831 -0.7 . . . . 55.12 112.453 178.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.68 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 27.9 p -97.49 -176.55 3.53 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.171 -0.307 . . . . 72.14 110.171 176.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.437 ' O ' HG13 ' A' ' 53' ' ' ILE . 23.5 tptm -54.6 -46.96 73.9 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.97 0.414 . . . . 72.12 110.335 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.8 m -70.29 -40.81 74.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.825 -0.625 . . . . 71.33 111.431 -177.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -59.61 -43.06 93.89 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.61 -0.268 . . . . 75.33 111.091 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.68 ' HG ' ' O ' ' A' ' 48' ' ' THR . 52.1 mt -65.4 -41.68 93.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 63.33 110.866 -177.487 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 49' ' ' LYS . 89.1 mt -60.17 -53.51 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.062 -0.517 . . . . 73.41 110.764 179.08 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.476 ' OE1' ' HD3' ' A' ' 57' ' ' ARG . 6.8 mm-40 -68.36 -28.42 67.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.752 -0.658 . . . . 71.04 111.335 -176.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.423 ' NE ' ' HA ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -61.55 -43.94 97.95 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.122 0.487 . . . . 63.02 109.968 177.667 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.459 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . 65.6 mt -61.73 -46.42 89.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.539 -0.755 . . . . 70.4 110.874 177.585 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.476 ' HD3' ' OE1' ' A' ' 54' ' ' GLU . 69.7 mtp180 -68.34 -31.75 71.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.706 -0.679 . . . . 73.4 111.213 -175.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.11 -40.8 74.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.847 0.356 . . . . 62.15 110.783 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.544 ' O ' HG13 ' A' ' 63' ' ' ILE . 54.6 t80 -69.91 -51.06 36.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.066 -0.516 . . . . 73.02 111.021 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.548 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 10.7 mm100 -57.92 -34.55 69.98 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.374 0.509 . . . . 62.15 112.374 -176.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -68.18 -44.81 75.06 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.816 0.341 . . . . 73.35 111.279 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -79.51 -3.14 45.42 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.956 0.354 . . . . 45.33 111.956 -174.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 59' ' ' TYR . 70.1 mt -69.02 -29.9 44.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.286 0.565 . . . . 74.21 109.544 173.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.442 ' N ' ' HD3' ' A' ' 65' ' ' PRO . 25.0 m 59.83 63.92 3.04 Favored Pre-proline 0 C--O 1.235 0.33 0 CA-C-N 114.996 -1.002 . . . . 64.12 111.353 -177.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.442 ' HD3' ' N ' ' A' ' 64' ' ' SER . 97.1 Cg_endo -95.67 -149.54 0.03 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 123.396 2.731 . . . . 71.15 110.434 176.311 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.436 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 8.0 m -92.63 105.65 15.42 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 121.07 0.462 . . . . 70.11 110.078 172.252 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 66' ' ' VAL . 5.3 Cg_exo -78.09 -74.07 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 123.083 2.522 . . . . 74.34 112.072 -175.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -96.21 58.2 1.43 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.956 -0.64 . . . . 71.31 111.645 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.435 ' HB3' ' HB ' ' A' ' 66' ' ' VAL . . . -152.68 106.27 2.71 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 110.286 -0.264 . . . . 65.34 110.286 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -75.94 177.92 8.11 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.698 2.265 . . . . 73.11 112.099 179.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -75.14 116.11 15.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.241 -0.436 . . . . 73.44 110.229 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.41 96.77 41.09 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 120.706 0.288 . . . . 62.23 110.95 -179.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -84.2 81.34 2.12 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 123.097 2.531 . . . . 74.43 111.863 177.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -158.84 163.99 36.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.082 -0.508 . . . . 75.4 110.573 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.363 -0.827 . . . . 43.14 110.051 178.067 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.0 ptp . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 120.766 0.317 . . . . 51.14 111.108 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.85 -170.5 30.7 Favored Glycine 0 N--CA 1.443 -0.856 0 N-CA-C 111.012 -0.835 . . . . 22.12 111.012 -174.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 70.0 m80 -139.49 -174.26 3.84 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.949 -0.389 . . . . 74.31 109.949 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -76.56 107.93 9.19 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.981 -0.378 . . . . 72.35 109.981 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -82.68 -26.05 32.45 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.845 -0.616 . . . . 63.34 109.35 177.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -107.09 137.92 44.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.32 -0.854 . . . . 73.2 110.338 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -60.47 127.65 32.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.857 -0.61 . . . . 73.11 110.197 176.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -69.58 128.88 38.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.998 0.428 . . . . 73.25 110.287 -178.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.3 m -70.56 127.5 32.92 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.862 -0.608 . . . . 70.22 111.449 -175.52 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -105.64 103.63 13.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.776 -0.647 . . . . 73.11 110.256 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 53.8 ttp -139.66 91.22 2.46 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.025 -0.534 . . . . 65.13 109.843 177.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.1 t -126.43 82.33 2.07 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.406 -0.59 . . . . 64.5 109.406 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.7 p -145.88 159.64 46.2 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.83 -0.623 . . . . 74.43 110.666 -175.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.58 115.05 2.52 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.402 2.068 . . . . 73.42 111.224 172.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.5 tt -80.67 107.42 13.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.12 -0.491 . . . . 74.34 109.748 -178.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.3 p -119.87 111.99 18.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.832 -0.622 . . . . 72.22 111.295 -178.156 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -106.32 91.79 0.75 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.849 -0.691 . . . . 61.52 111.933 178.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 5.6 ttpm? -106.12 114.26 62.67 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.539 0.209 . . . . 74.33 110.74 -179.231 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 18' ' ' LYS . 4.8 Cg_exo -77.81 116.23 3.97 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.918 2.412 . . . . 70.34 112.153 179.036 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.34 65.75 3.07 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.58 -0.819 . . . . 64.11 111.59 177.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.533 ' HA ' ' NE2' ' A' ' 60' ' ' GLN . . . -147.45 -168.92 3.19 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.701 0.286 . . . . 70.32 110.907 -177.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.5 mt -111.46 154.35 43.82 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.098 -0.501 . . . . 72.11 110.488 178.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.15 169.8 21.61 Favored 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 122.372 2.048 . . . . 54.21 111.332 172.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.21 -17.46 29.03 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.898 0.38 . . . . 75.23 111.096 -177.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.476 ' HB3' ' HB3' ' A' ' 28' ' ' ASP . 3.2 m-20 -90.93 33.46 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.132 -0.486 . . . . 73.33 111.645 -173.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.5 mt -59.03 -36.54 75.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.841 0.353 . . . . 70.24 111.766 -177.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -84.83 -15.93 43.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.809 0.338 . . . . 74.55 110.922 -177.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.476 ' HB3' ' HB3' ' A' ' 25' ' ' ASN . 13.5 t70 -84.14 -35.75 23.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.965 -0.561 . . . . 73.11 110.307 178.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.411 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 81.9 mtp -62.42 157.46 19.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.434 -0.803 . . . . 71.14 110.906 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.52 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 38.6 mttp -72.49 178.73 3.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.137 0.494 . . . . 72.33 110.757 179.156 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.0 t -70.17 -44.54 77.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.802 -0.635 . . . . 74.03 109.599 176.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.577 ' O ' ' HG2' ' A' ' 36' ' ' GLN . . . -64.07 -34.65 78.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.866 -0.606 . . . . 71.14 110.974 178.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.52 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 69.6 mm-40 -61.88 -41.66 98.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.867 0.365 . . . . 62.2 110.707 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.3 mt -67.35 -38.57 85.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 63.15 110.173 178.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.595 ' HE2' ' O ' ' A' ' 45' ' ' VAL . 97.8 mttt -63.06 -30.34 71.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.844 -0.616 . . . . 61.24 110.972 177.56 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.577 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 91.8 mm-40 -60.89 -48.05 83.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.359 -0.382 . . . . 75.44 110.112 177.088 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -62.96 -43.5 98.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 64.11 110.548 178.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 35' ' ' LYS . 89.3 mt -57.12 -57.07 14.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.658 -0.701 . . . . 65.1 111.476 -179.281 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -65.3 -32.87 74.75 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.622 0.23 . . . . 73.22 111.622 -174.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 36' ' ' GLN . 85.6 mt -71.93 -28.34 63.41 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.625 0.25 . . . . 74.1 111.156 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -103.84 14.27 31.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.604 -0.271 . . . . 72.04 110.82 -178.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.1 m 63.56 73.07 0.46 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.32 0.581 . . . . 65.1 111.429 179.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.454 HD13 HD23 ' A' ' 38' ' ' LEU . 22.5 mt -143.05 156.61 61.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.59 -0.732 . . . . 74.21 110.197 -178.388 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -66.57 128.8 19.81 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.575 2.183 . . . . 42.23 111.69 175.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.595 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 29.0 m -99.47 -7.22 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.439 -0.346 . . . . 61.44 111.316 -175.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.3 t -76.57 129.62 36.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.806 0.336 . . . . 72.52 110.261 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 150.95 -163.94 29.86 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.873 -0.679 . . . . 60.54 112.41 178.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.664 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 19.5 p -115.45 174.98 5.72 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 122.2 0.2 . . . . 65.15 110.519 179.694 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.523 ' HE2' HD11 ' A' ' 53' ' ' ILE . 24.1 tptm -48.66 -56.36 8.71 Favored 'General case' 0 C--N 1.331 -0.237 0 O-C-N 123.459 0.474 . . . . 72.24 111.242 178.331 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.9 m -62.73 -38.5 90.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.194 -0.457 . . . . 72.23 111.373 -177.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.463 ' HB2' ' H ' ' A' ' 48' ' ' THR . 1.0 OUTLIER -59.55 -47.18 86.56 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.353 -0.385 . . . . 50.31 110.714 178.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' A' ' 48' ' ' THR . 34.2 mt -69.22 -38.35 78.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.958 -0.564 . . . . 53.12 111.31 -175.302 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.523 HD11 ' HE2' ' A' ' 49' ' ' LYS . 81.9 mt -57.76 -52.77 53.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.859 0.361 . . . . 75.4 110.735 179.002 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -63.63 -36.73 84.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.936 -0.574 . . . . 71.52 110.835 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 45.9 ttm-85 -65.51 -40.5 93.06 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.032 -0.531 . . . . 74.41 110.907 -178.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.44 -41.96 96.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.762 0.315 . . . . 54.14 110.658 176.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 83.5 mtp180 -59.96 -46.5 89.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.51 . . . . 64.34 110.636 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.87 -41.28 95.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 74.21 110.829 179.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.548 ' O ' HG12 ' A' ' 63' ' ' ILE . 34.7 t80 -61.78 -51.59 67.69 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.835 -0.62 . . . . 74.43 111.528 -179.394 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.533 ' NE2' ' HA ' ' A' ' 21' ' ' ALA . 58.4 tp60 -65.64 -30.74 71.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.999 0.428 . . . . 72.44 111.055 -176.608 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -71.54 -43.64 66.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.352 -0.386 . . . . 52.12 111.106 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 59' ' ' TYR . 13.6 pt20 -68.74 -20.36 64.37 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.783 0.325 . . . . 73.01 110.507 -179.174 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.548 HG12 ' O ' ' A' ' 59' ' ' TYR . 44.1 mm -63.36 -55.05 25.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 109.201 -0.666 . . . . 62.4 109.201 170.276 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.4 m 67.03 162.35 0.13 Allowed Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 115.142 -0.935 . . . . 74.21 111.672 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -66.75 108.27 1.42 Allowed 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 122.179 1.919 . . . . 64.32 110.557 171.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.534 ' HB ' ' HD3' ' A' ' 70' ' ' PRO . 8.4 m -60.91 117.05 21.79 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.879 0.371 . . . . 54.34 111.188 -178.221 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 66' ' ' VAL . 22.3 Cg_exo -63.46 101.56 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.998 2.465 . . . . 72.31 112.061 -174.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.9 -8.3 37.64 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.744 -0.662 . . . . 33.11 112.62 -178.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 65.68 123.01 0.02 OUTLIER Pre-proline 0 N--CA 1.464 0.255 0 C-N-CA 123.356 0.662 . . . . 71.21 111.068 -174.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.534 ' HD3' ' HB ' ' A' ' 66' ' ' VAL . 53.2 Cg_exo -51.66 117.03 3.12 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.678 2.252 . . . . 75.31 111.567 178.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.486 ' HB3' ' NZ ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -97.79 86.27 3.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.422 0.63 . . . . 74.43 111.146 -174.351 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.423 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . . . -97.68 103.92 18.8 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.233 -0.894 . . . . 52.44 109.599 175.419 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 72' ' ' ALA . 2.1 Cg_endo -81.15 -179.46 5.06 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 123.253 2.636 . . . . 72.51 112.052 -177.303 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -110.76 21.94 15.95 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.469 0.652 . . . . 72.21 109.964 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-N 115.191 -0.913 . . . . 70.44 110.037 179.838 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 110.057 -0.349 . . . . 72.43 110.057 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 143.67 -163.23 27.63 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.935 -0.65 . . . . 61.21 111.943 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -147.79 111.32 4.98 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.156 0.503 . . . . 73.3 110.27 177.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -113.17 134.88 54.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.856 -0.611 . . . . 72.13 110.117 -175.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -69.08 130.89 44.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.1 0.476 . . . . 73.11 110.879 177.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 67.6 m80 -114.55 -15.1 12.05 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.865 -0.791 . . . . 62.32 108.865 173.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -126.26 146.04 50.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.852 -1.067 . . . . 70.14 108.659 174.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.6 p80 -84.62 132.24 34.51 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.447 -0.501 . . . . 71.23 110.502 -177.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 t -97.09 -30.12 13.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.595 -0.73 . . . . 60.23 109.111 -179.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -74.22 128.92 36.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.506 -0.77 . . . . 70.21 109.02 173.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.3 ttt 60.79 88.05 0.09 Allowed 'General case' 0 N--CA 1.463 0.195 0 O-C-N 123.69 0.619 . . . . 73.54 110.765 -177.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.5 t -161.6 -170.48 2.61 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.427 -0.583 . . . . 75.12 109.427 -178.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.422 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 6.2 p -94.67 111.04 52.61 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-O 120.706 0.289 . . . . 55.43 110.379 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 38.8 Cg_exo -59.97 126.92 21.63 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 123.009 2.472 . . . . 74.32 112.809 -175.487 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.468 HD12 ' HE3' ' A' ' 18' ' ' LYS . 45.8 tp -92.86 -5.42 51.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.485 0.66 . . . . 53.54 109.727 177.302 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.3 m -86.41 101.79 13.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.371 -0.831 . . . . 71.12 110.791 -178.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 18' ' ' LYS . . . 103.83 -84.89 0.46 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.496 -0.859 . . . . 60.15 112.7 176.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.468 ' HE3' HD12 ' A' ' 15' ' ' LEU . 86.1 mttt 69.48 145.77 0.11 Allowed Pre-proline 0 N--CA 1.468 0.442 0 C-N-CA 123.414 0.686 . . . . 73.52 112.227 -178.533 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.6 113.56 2.99 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.67 2.247 . . . . 45.35 111.22 173.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.42 82.64 1.03 Allowed Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 116.016 -0.538 . . . . 74.2 112.312 -178.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.11 136.49 52.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.904 0.383 . . . . 71.12 110.707 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.548 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 82.1 mt -94.38 150.79 38.75 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.975 -0.557 . . . . 73.11 109.904 178.151 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.476 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 37.8 Cg_endo -68.64 126.93 14.72 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.865 1.71 . . . . 70.34 110.608 173.065 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.59 -23.9 63.32 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.91 0.386 . . . . 54.34 111.618 -176.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.454 ' HB3' ' HB2' ' A' ' 28' ' ' ASP . 16.4 m120 -84.24 45.45 1.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.948 -0.569 . . . . 75.14 111.62 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.563 ' HB2' HG23 ' A' ' 53' ' ' ILE . 95.4 mt -64.21 -25.63 68.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.433 0.635 . . . . 70.35 110.192 176.432 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -75.71 -25.34 56.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.57 -0.741 . . . . 73.14 110.548 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.454 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 4.7 m-20 -83.96 -7.57 59.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.178 0.513 . . . . 74.14 110.303 177.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 86.6 mtp -92.01 172.66 8.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.708 -0.678 . . . . 73.21 110.159 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.565 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 15.0 mtpp -93.48 155.46 17.33 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.399 -0.364 . . . . 54.55 110.517 -177.328 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.8 t -58.12 -44.24 87.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 53.44 111.163 -178.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.38 -36.35 83.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.439 -0.346 . . . . 74.42 111.046 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.565 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 7.4 mm-40 -65.63 -39.99 92.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 53.31 110.497 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.8 mt -64.32 -43.27 95.19 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.716 -0.674 . . . . 71.05 109.86 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.573 ' HA ' HD12 ' A' ' 38' ' ' LEU . 92.0 mttt -66.01 -23.09 66.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.55 -0.75 . . . . 74.51 111.71 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.414 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 63.6 mm-40 -60.37 -57.33 13.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.484 0.183 . . . . 34.34 110.537 176.063 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -66.28 -28.85 69.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.387 -0.369 . . . . 63.34 110.591 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.573 HD12 ' HA ' ' A' ' 35' ' ' LYS . 75.7 mt -64.47 -59.42 4.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.025 -0.534 . . . . 74.31 110.945 175.364 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -63.23 -32.47 73.89 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.663 -0.244 . . . . 70.23 111.479 -174.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 36' ' ' GLN . 89.5 mt -66.16 -30.81 71.36 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.846 0.355 . . . . 75.3 110.872 178.418 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 81.9 mtt-85 -100.42 11.13 40.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.356 -0.384 . . . . 75.45 110.541 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.3 m 62.02 26.19 15.78 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.386 0.612 . . . . 74.23 111.321 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.452 HD13 HD23 ' A' ' 38' ' ' LEU . 30.2 mt -79.09 155.04 77.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.543 -0.753 . . . . 73.32 110.566 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -69.98 112.86 3.23 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.612 2.208 . . . . 71.12 112.213 178.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.1 m -85.25 -3.64 8.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.981 -0.554 . . . . 64.52 110.173 176.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.0 m -70.75 135.59 48.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.434 -0.803 . . . . 42.43 110.772 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.5 -170.58 15.25 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.647 -0.787 . . . . 63.31 111.941 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.534 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 65.2 p -94.23 169.39 10.27 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.617 0.246 . . . . 61.25 110.963 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.427 ' O ' HG13 ' A' ' 53' ' ' ILE . 87.2 tttt -54.81 -41.79 71.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.003 -0.544 . . . . 63.32 110.935 178.058 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.8 m -57.94 -40.92 81.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.089 0.471 . . . . 62.43 110.782 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.8 -46.21 72.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.949 -0.569 . . . . 45.22 111.015 178.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 48' ' ' THR . 58.5 mt -58.46 -42.01 86.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.0 -0.545 . . . . 51.24 111.106 -176.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.563 HG23 ' HB2' ' A' ' 26' ' ' LEU . 84.4 mt -61.01 -53.98 41.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.072 -0.513 . . . . 73.31 110.81 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -67.04 -34.06 76.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.95 -0.568 . . . . 75.24 111.308 -177.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -63.41 -46.87 84.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.863 0.363 . . . . 75.44 110.359 178.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.512 ' HB3' HD13 ' A' ' 22' ' ' LEU . 40.6 mt -59.65 -45.05 93.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.988 -0.551 . . . . 74.13 110.511 175.596 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -60.67 -51.17 70.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.99 -0.55 . . . . 65.41 111.586 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.25 -31.72 71.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.988 0.423 . . . . 74.32 111.452 -178.128 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.469 ' O ' HG13 ' A' ' 63' ' ' ILE . 86.2 t80 -76.14 -46.39 28.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.158 -0.474 . . . . 75.55 110.741 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.548 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 1.1 tm0? -72.58 -34.99 67.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.741 -0.209 . . . . 60.52 111.248 -176.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -60.46 -39.12 86.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.359 -0.382 . . . . 64.14 111.148 -177.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -79.7 -13.43 59.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.397 -0.365 . . . . 64.52 111.198 -178.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.531 HD12 ' HA ' ' A' ' 60' ' ' GLN . 79.8 mt -70.69 -32.75 50.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 109.327 -0.619 . . . . 54.25 109.327 174.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.2 t -72.97 141.56 81.82 Favored Pre-proline 0 N--CA 1.449 -0.512 0 N-CA-C 108.628 -0.879 . . . . 64.42 108.628 174.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.97 106.62 0.19 Allowed 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 122.427 2.085 . . . . 75.41 112.069 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.403 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 22.5 m -83.61 126.82 70.17 Favored Pre-proline 0 N--CA 1.452 -0.364 0 CA-C-O 121.013 0.435 . . . . 72.04 110.363 178.387 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 66' ' ' VAL . 94.4 Cg_endo -95.3 16.3 0.94 Allowed 'Trans proline' 0 N--CA 1.451 -1.008 0 C-N-CA 123.192 2.595 . . . . 73.53 112.612 -178.477 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -148.21 -58.45 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.843 -0.694 . . . . 64.41 112.403 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 71.63 110.27 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.427 0 C-N-CA 123.345 0.658 . . . . 71.25 111.658 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -72.02 157.86 53.61 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.596 2.197 . . . . 64.55 112.221 178.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -90.62 158.98 16.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.095 0.474 . . . . 52.3 111.023 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.403 ' HB1' ' HD2' ' A' ' 73' ' ' PRO . . . -142.46 161.19 51.24 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.587 -0.733 . . . . 41.54 110.048 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.403 ' HD2' ' HB1' ' A' ' 72' ' ' ALA . 44.6 Cg_endo -68.93 136.09 34.26 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.337 2.025 . . . . 72.34 112.036 175.268 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.8 -85.93 0.41 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.557 -0.292 . . . . 42.43 110.607 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.465 -0.779 . . . . 42.31 110.028 179.803 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.4 ptt? . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 121.675 0.75 . . . . 70.24 110.693 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -135.02 -124.4 2.43 Favored Glycine 0 N--CA 1.44 -1.075 0 CA-C-N 115.6 -0.727 . . . . 62.32 111.51 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.5 m170 60.73 26.89 16.66 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.504 0.668 . . . . 71.43 109.604 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -89.15 14.06 11.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.104 -0.953 . . . . 64.31 110.39 -173.159 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -63.56 134.31 55.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.733 -0.667 . . . . 73.42 109.948 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -62.84 109.05 1.32 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.13 -0.486 . . . . 75.21 111.53 -175.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -73.83 -20.58 60.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.626 -0.716 . . . . 74.41 110.417 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -131.81 163.11 28.96 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.287 -0.634 . . . . 75.15 109.287 175.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.7 t -80.78 128.01 33.17 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.508 -0.553 . . . . 70.31 109.508 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -64.9 -22.08 66.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.139 -0.482 . . . . 74.42 110.773 -177.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 53.1 ttm -105.12 89.34 3.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.282 0.563 . . . . 60.34 109.961 175.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 p -141.78 149.05 39.92 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.601 -0.727 . . . . 52.03 109.942 178.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.05 106.79 30.96 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 111.885 0.328 . . . . 64.43 111.885 -175.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -81.04 107.59 1.93 Allowed 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 123.072 2.515 . . . . 71.01 111.351 174.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.618 HD11 ' HA ' ' A' ' 19' ' ' PRO . 45.8 tp -153.64 115.61 4.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.432 -0.349 . . . . 71.33 110.144 -179.268 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.559 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 35.3 m -99.17 106.62 18.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.034 0.445 . . . . 70.31 111.217 -179.053 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.38 -83.95 1.47 Allowed Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.97 -0.559 . . . . 60.24 113.402 175.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 34.3 mmtp -128.98 146.02 58.97 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 120.402 0.144 . . . . 65.22 110.984 -172.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.618 ' HA ' HD11 ' A' ' 15' ' ' LEU . 31.9 Cg_exo -59.96 111.94 1.14 Allowed 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.81 2.34 . . . . 74.31 111.653 176.182 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.17 -35.4 2.52 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 111.098 -0.801 . . . . 62.2 111.098 -175.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.3 156.19 35.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.834 0.349 . . . . 72.34 110.744 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.582 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 71.9 mt -85.84 131.05 48.32 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.962 -0.563 . . . . 74.34 110.983 -177.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.628 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 41.8 Cg_endo -69.2 139.88 43.33 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.222 1.948 . . . . 73.33 110.895 171.183 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.69 4.45 4.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.915 0.388 . . . . 54.53 111.888 -176.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -105.8 16.9 24.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.46 -0.336 . . . . 74.52 111.005 -177.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 23' ' ' PRO . 86.3 mt -53.38 -45.2 69.16 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.373 -0.376 . . . . 63.03 111.776 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -64.85 -26.83 68.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 70.22 111.433 -177.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -86.53 -32.17 20.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.108 -0.496 . . . . 74.0 111.538 -176.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 55.3 mtm -67.35 161.21 25.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.25 0.547 . . . . 74.03 111.741 -175.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.563 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 0.3 OUTLIER -81.61 162.75 22.98 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.371 -0.831 . . . . 74.51 110.381 -178.112 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.2 t -55.3 -40.73 58.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 73.45 111.045 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.49 -35.73 81.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 62.12 111.398 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.563 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 2.3 mm-40 -68.15 -41.54 81.43 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.354 -0.61 . . . . 64.13 109.354 -179.376 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.81 -44.24 97.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.324 -0.853 . . . . 64.52 110.62 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.555 ' HE2' ' O ' ' A' ' 45' ' ' VAL . 95.5 mttt -63.88 -29.53 70.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.05 -0.523 . . . . 73.15 110.974 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.445 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 12.1 mm100 -63.75 -41.66 97.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.481 -0.327 . . . . 74.41 110.756 176.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.561 ' HB3' ' NH1' ' A' ' 41' ' ' ARG . 27.1 mt-10 -73.96 -41.27 62.23 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.946 -0.302 . . . . 74.44 111.032 178.378 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.551 HD13 ' HA ' ' A' ' 45' ' ' VAL . 58.5 mt -54.07 -54.04 44.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 73.44 111.299 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -60.78 -30.75 70.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.462 -0.335 . . . . 71.01 111.406 -177.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 36' ' ' GLN . 92.6 mt -78.46 -27.07 46.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.521 -0.308 . . . . 71.15 110.955 -179.119 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.568 HH11 HD22 ' A' ' 56' ' ' LEU . 63.8 mtt180 -99.05 16.87 21.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.398 -0.365 . . . . 74.41 111.075 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.8 t 65.67 30.7 10.24 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.268 0.556 . . . . 70.41 111.012 175.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.426 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 20.9 mt -108.85 148.13 37.22 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.779 -0.646 . . . . 62.42 111.013 -178.7 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 43' ' ' LEU . 33.5 Cg_exo -62.31 141.65 88.29 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.849 2.366 . . . . 73.2 111.544 174.498 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.555 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 34.3 m -103.19 -19.94 5.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.204 -0.453 . . . . 72.24 111.427 -174.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.4 m -78.44 107.06 10.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.201 0.524 . . . . 73.11 111.582 -177.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 177.24 -172.89 45.77 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 111.247 -0.741 . . . . 52.04 111.247 178.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.65 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 71.7 p -90.5 159.14 16.66 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.917 -0.401 . . . . 71.31 109.917 177.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -50.21 -46.54 54.65 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 123.415 0.447 . . . . 74.21 111.637 -177.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.3 m -61.55 -50.1 74.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.604 -0.271 . . . . 75.31 111.171 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -61.54 -38.46 87.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.61 -0.268 . . . . 73.22 111.256 -177.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' A' ' 48' ' ' THR . 58.1 mt -61.15 -47.06 87.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.762 0.315 . . . . 51.22 110.539 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.459 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 84.9 mt -63.04 -49.04 85.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 72.42 110.691 178.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.25 -40.3 89.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.98 -0.555 . . . . 73.44 111.611 -179.16 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.8 ttt85 -66.31 -36.15 82.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.404 -0.362 . . . . 70.43 110.684 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.568 HD22 HH11 ' A' ' 41' ' ' ARG . 82.0 mt -61.52 -44.05 97.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.166 0.508 . . . . 61.13 110.373 175.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 68.6 mtp180 -66.13 -42.66 88.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.687 -0.688 . . . . 72.45 110.663 -178.246 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.55 -36.15 81.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 73.22 111.112 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.544 ' O ' HG13 ' A' ' 63' ' ' ILE . 42.9 t80 -61.41 -54.69 40.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.047 -0.524 . . . . 73.44 110.624 178.135 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.582 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 10.1 mm100 -62.86 -35.77 81.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.296 -0.411 . . . . 71.42 111.901 -179.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -62.61 -43.49 98.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 63.22 111.775 -176.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -80.12 -14.43 58.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.494 -0.321 . . . . 64.41 111.55 -176.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 59' ' ' TYR . 65.4 mt -74.05 -59.54 3.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 110.136 -0.32 . . . . 74.44 110.136 177.373 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.7 m 66.68 161.98 0.13 Allowed Pre-proline 0 CA--C 1.536 0.412 0 O-C-N 123.849 0.718 . . . . 74.25 111.264 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.71 110.6 1.48 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.125 1.883 . . . . 71.42 111.2 174.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.451 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 13.6 m -130.63 108.57 15.8 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 121.505 0.669 . . . . 73.3 111.927 -176.26 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 66' ' ' VAL . 4.8 Cg_exo -79.03 -28.81 3.63 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 123.661 2.908 . . . . 74.34 112.105 177.124 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -110.96 -25.0 5.29 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.892 -0.671 . . . . 53.31 112.18 178.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.411 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . . . 68.72 123.08 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.355 0 C-N-CA 123.449 0.7 . . . . 74.24 111.754 177.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.84 157.88 57.08 Favored 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 122.58 2.186 . . . . 74.54 111.962 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -76.47 103.02 6.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.055 0.455 . . . . 75.24 109.787 178.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.448 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . . . -145.02 139.88 15.59 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.907 -0.588 . . . . 41.51 110.756 -176.03 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 72' ' ' ALA . 12.8 Cg_exo -71.0 -167.52 0.28 Allowed 'Trans proline' 0 CA--C 1.533 0.445 0 C-N-CA 123.076 2.518 . . . . 74.53 112.692 -179.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.76 172.28 12.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 62.22 111.104 -178.396 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.62 -0.705 . . . . 40.12 110.631 -179.654 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.8 mtp . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.676 0.274 . . . . 70.32 110.856 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 85.39 106.95 0.69 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.943 -0.646 . . . . 34.43 113.476 173.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -84.18 78.04 9.85 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.974 -0.75 . . . . 54.24 108.974 171.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -83.52 138.2 33.52 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.832 -0.622 . . . . 74.05 111.909 -172.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -154.24 108.67 3.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.249 -0.887 . . . . 74.03 109.471 173.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -136.68 156.32 48.69 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.079 -0.51 . . . . 44.34 110.148 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -76.19 -42.59 45.82 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.104 -0.498 . . . . 73.5 109.814 -179.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -88.08 47.42 1.5 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.256 -0.429 . . . . 72.1 111.604 179.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.7 m -77.08 80.65 3.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.195 0.522 . . . . 71.22 109.726 175.027 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -71.13 167.01 20.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.435 -0.802 . . . . 63.24 111.308 -177.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 48.4 mtt -82.97 108.99 16.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.756 -0.656 . . . . 64.31 110.31 -177.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.9 m -77.46 92.13 3.97 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.323 0.582 . . . . 70.25 110.169 176.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.0 m -136.3 138.31 26.74 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.495 -0.775 . . . . 50.53 109.392 -178.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -50.06 133.2 34.6 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.828 2.352 . . . . 60.43 112.211 177.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.1 tp -111.96 123.05 49.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.376 -0.374 . . . . 74.55 110.506 -176.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 t -115.2 149.64 37.37 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.101 -0.5 . . . . 72.01 110.629 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -106.85 8.46 39.43 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 111.304 -0.718 . . . . 62.41 111.304 176.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 30.1 mmtp -102.24 114.41 65.47 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 109.967 -0.382 . . . . 74.04 109.967 -179.452 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.46 ' HG2' ' HG2' ' A' ' 41' ' ' ARG . 18.6 Cg_endo -60.28 140.42 91.87 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.556 2.171 . . . . 65.41 111.64 176.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.42 -51.97 2.09 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.701 -0.761 . . . . 62.2 112.506 -176.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.05 167.15 15.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.047 0.451 . . . . 73.43 111.954 -174.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.517 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 97.3 mt -113.42 154.74 45.37 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.832 -0.622 . . . . 64.55 110.529 178.456 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.429 ' HG2' ' CD2' ' A' ' 26' ' ' LEU . 19.1 Cg_endo -62.22 141.16 87.0 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 121.996 1.797 . . . . 60.51 110.84 169.277 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.45 -35.71 80.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.259 -0.428 . . . . 72.33 111.552 -176.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -101.83 97.67 8.01 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.935 -0.575 . . . . 73.11 110.726 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.429 ' CD2' ' HG2' ' A' ' 23' ' ' PRO . 84.6 mt -97.09 -28.34 14.17 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.139 -0.482 . . . . 72.21 110.176 176.513 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -71.19 -19.64 62.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.843 -0.617 . . . . 62.21 110.587 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -86.8 -18.35 31.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.063 -0.517 . . . . 70.2 110.44 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 94.2 mmm -72.65 153.51 41.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.83 -0.623 . . . . 73.22 109.601 178.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.548 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 61.8 mttp -85.39 169.27 13.85 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 110.166 -0.309 . . . . 74.02 110.166 179.171 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.9 t -62.15 -42.16 94.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.156 0.503 . . . . 75.41 109.925 179.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.418 ' O ' ' HG2' ' A' ' 36' ' ' GLN . . . -64.74 -37.89 89.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.69 -0.686 . . . . 71.21 110.628 177.218 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.548 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 41.5 mm-40 -66.82 -38.54 86.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.043 -0.526 . . . . 70.01 110.806 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 79.2 mt -63.56 -42.96 98.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.999 -0.546 . . . . 72.33 109.838 176.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.524 ' HA ' HD12 ' A' ' 38' ' ' LEU . 97.3 mttt -67.15 -26.22 66.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.794 -0.639 . . . . 74.31 111.152 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 15.6 mm100 -60.61 -50.5 73.26 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.967 -0.382 . . . . 73.31 109.967 174.127 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -60.74 -44.08 97.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.234 -0.439 . . . . 70.4 110.461 176.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.591 HD13 ' HA ' ' A' ' 45' ' ' VAL . 91.1 mt -58.94 -49.02 79.42 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.157 -0.474 . . . . 51.22 111.731 -177.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -69.77 -25.65 63.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.813 0.34 . . . . 75.24 111.549 -176.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 36' ' ' GLN . 84.3 mt -86.78 -36.32 18.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.949 0.404 . . . . 75.24 111.73 -178.25 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.46 ' HG2' ' HG2' ' A' ' 19' ' ' PRO . 17.2 mtp180 -98.83 12.61 35.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.39 -0.368 . . . . 65.11 111.163 -174.069 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.6 m 64.39 72.61 0.45 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.529 0.68 . . . . 54.02 111.266 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.448 ' HB2' ' HA ' ' A' ' 38' ' ' LEU . 16.4 mt -146.14 143.43 19.28 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.281 -0.872 . . . . 74.11 110.187 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.508 ' HD2' ' HD3' ' A' ' 55' ' ' ARG . 27.0 Cg_exo -63.26 137.0 58.58 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.662 2.241 . . . . 71.42 112.142 177.172 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.591 ' HA ' HD13 ' A' ' 38' ' ' LEU . 33.3 m -94.43 5.63 7.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.213 -0.449 . . . . 75.32 111.058 -177.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.7 t -81.16 132.39 35.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.044 -0.525 . . . . 72.51 109.957 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 132.61 160.94 9.76 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 111.69 -0.564 . . . . 75.31 111.69 -178.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.499 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 32.1 p -78.14 170.35 16.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.561 0.181 . . . . 43.14 110.585 177.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.458 ' O ' HG13 ' A' ' 53' ' ' ILE . 87.6 tttt -48.35 -56.38 8.27 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.356 0.41 . . . . 63.11 112.001 -176.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.8 m -63.3 -33.59 75.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.589 0.233 . . . . 72.05 111.326 -177.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -69.34 -39.49 78.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.619 0.247 . . . . 63.21 110.56 178.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 48' ' ' THR . 83.3 mt -63.71 -42.73 97.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 73.23 109.898 176.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.528 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 76.9 mt -58.61 -49.13 83.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.86 -0.609 . . . . 64.24 110.533 175.482 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -63.4 -37.15 86.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.459 . . . . 72.24 111.388 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.508 ' HD3' ' HD2' ' A' ' 44' ' ' PRO . 45.6 ttm-85 -62.45 -40.97 98.33 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.839 -0.43 . . . . 61.15 109.839 178.364 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.455 ' O ' HD11 ' A' ' 22' ' ' LEU . 85.3 mt -64.32 -47.78 78.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.932 -0.576 . . . . 75.32 110.408 175.443 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.528 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 35.5 mtp180 -60.12 -43.1 95.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.929 -0.578 . . . . 72.22 110.999 -178.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.92 -36.59 83.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.955 0.407 . . . . 74.15 110.649 177.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.524 ' O ' HG12 ' A' ' 63' ' ' ILE . 63.8 t80 -62.28 -39.73 93.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.776 -0.647 . . . . 73.43 110.647 179.313 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.517 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 4.9 tm0? -81.43 -26.54 35.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.074 0.464 . . . . 72.41 110.141 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -60.29 -46.32 90.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.513 . . . . 74.5 110.733 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -71.86 -9.06 57.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 72.45 111.302 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.524 HG12 ' O ' ' A' ' 59' ' ' TYR . 48.4 mm -85.18 -39.3 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.307 0.575 . . . . 60.55 110.094 176.564 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.448 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 12.7 m -104.14 134.49 19.68 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.588 -0.733 . . . . 71.01 111.884 -171.185 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 64' ' ' SER . 14.8 Cg_exo -68.85 144.08 57.66 Favored 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 122.813 2.342 . . . . 61.2 111.515 175.463 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.514 ' HB ' ' HD2' ' A' ' 67' ' ' PRO . 31.8 m -66.36 159.19 74.24 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.216 -0.447 . . . . 53.32 110.65 179.542 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.514 ' HD2' ' HB ' ' A' ' 66' ' ' VAL . 13.8 Cg_endo -56.86 -24.23 55.11 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.867 2.378 . . . . 62.13 113.025 -179.042 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -86.26 0.37 87.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.982 -0.628 . . . . 73.0 112.534 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.16 157.73 41.47 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 109.993 -0.373 . . . . 74.21 109.993 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.484 ' HB3' ' HG3' ' A' ' 73' ' ' PRO . 53.0 Cg_exo -53.09 116.25 2.81 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.579 2.186 . . . . 71.14 112.128 176.369 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -75.33 -70.95 0.39 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.863 -0.608 . . . . 64.32 110.519 -176.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -144.47 81.09 11.44 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.854 -0.612 . . . . 53.13 110.242 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.484 ' HG3' ' HB3' ' A' ' 70' ' ' PRO . 5.6 Cg_endo -87.3 12.92 2.81 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 123.126 2.551 . . . . 54.5 111.986 -179.333 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.46 106.96 17.18 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.058 -0.519 . . . . 74.34 110.635 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 N-CA-C 109.344 -0.613 . . . . 38.03 109.344 178.324 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.282 -0.266 . . . . 73.15 110.282 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.13 11.32 58.78 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 121.147 -0.549 . . . . 63.04 112.363 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.9 m80 66.33 23.87 10.65 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.089 0.471 . . . . 60.22 110.924 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -79.58 126.37 30.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.581 -0.736 . . . . 71.42 109.533 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -93.59 145.28 24.65 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.886 0.374 . . . . 62.52 110.807 -176.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -81.0 -178.12 6.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.644 -0.707 . . . . 63.33 110.967 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -114.07 134.69 54.7 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.904 -0.776 . . . . 71.3 108.904 174.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -80.06 75.02 6.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.122 0.963 . . . . 75.21 109.604 176.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.1 m -82.96 -61.85 1.75 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.882 -1.054 . . . . 65.14 111.821 -173.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -123.71 150.26 44.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.006 0.432 . . . . 75.22 111.53 -172.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 57.3 ttp -130.85 128.62 40.99 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.499 -0.773 . . . . 73.24 109.362 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.6 t -80.25 130.34 35.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.302 -0.408 . . . . 70.24 110.923 -175.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 p -119.13 144.36 35.92 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 115.87 -0.604 . . . . 62.2 110.236 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.31 118.92 5.85 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.553 2.169 . . . . 64.35 112.117 179.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.1 tt -88.51 124.93 34.48 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.425 -0.583 . . . . 61.53 109.425 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.5 p -127.64 114.61 17.59 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.073 0.463 . . . . 75.11 110.816 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 158.81 146.31 4.5 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.806 -0.711 . . . . 74.43 111.91 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.58 162.45 36.47 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 109.087 -0.708 . . . . 63.42 109.087 179.148 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -63.49 80.32 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.975 2.45 . . . . 72.13 113.141 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.78 7.74 4.87 Favored Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 111.046 -0.821 . . . . 13.14 111.046 174.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.79 -168.49 1.79 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.188 -0.301 . . . . 53.42 110.188 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.554 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 94.5 mt -124.95 140.05 34.95 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.431 -0.35 . . . . 62.51 110.407 177.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -64.62 148.55 90.42 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.193 1.929 . . . . 74.24 110.927 174.055 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.21 -34.3 78.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.92 0.391 . . . . 74.11 111.096 -178.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.543 ' HB3' ' HB3' ' A' ' 28' ' ' ASP . 2.9 m-20 -85.75 79.18 9.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.168 -0.469 . . . . 72.35 110.341 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.3 mt -95.66 -45.44 7.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.093 -0.503 . . . . 73.43 110.289 177.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -73.11 -24.74 60.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.855 -0.611 . . . . 73.11 110.081 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.543 ' HB3' ' HB3' ' A' ' 25' ' ' ASN . 25.2 t70 -73.71 -23.06 59.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.429 -0.805 . . . . 71.52 111.003 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.533 ' HB3' ' HB2' ' A' ' 33' ' ' GLU . 48.3 mtm -83.6 146.04 28.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.741 0.305 . . . . 72.23 110.323 179.496 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.482 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 55.5 mttp -65.31 164.08 14.22 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.935 -0.575 . . . . 73.34 111.459 178.261 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.3 t -56.98 -38.48 60.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.619 -0.719 . . . . 74.31 109.978 175.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.31 -43.45 98.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.171 -0.922 . . . . 72.41 111.242 178.039 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.533 ' HB2' ' HB3' ' A' ' 29' ' ' MET . 8.2 mm-40 -66.29 -37.63 85.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.405 . . . . 72.53 110.744 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.89 -43.51 98.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.018 -0.537 . . . . 72.41 110.26 176.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.536 ' HA ' HD12 ' A' ' 38' ' ' LEU . 98.4 mttt -65.58 -26.43 67.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.908 -0.587 . . . . 74.31 111.504 -178.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -59.36 -48.76 80.4 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.953 0.406 . . . . 74.44 110.163 175.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -67.76 -44.97 76.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.946 -0.57 . . . . 72.53 111.012 178.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.559 HD13 ' HA ' ' A' ' 45' ' ' VAL . 80.7 mt -54.7 -53.29 56.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 73.35 111.46 -178.342 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -66.04 -27.41 68.08 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.51 -0.313 . . . . 71.3 111.621 -174.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 71.5 mt -84.8 -32.05 23.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.984 0.421 . . . . 63.44 111.43 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -105.72 35.23 2.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.309 -0.405 . . . . 73.04 111.254 -172.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.9 m 63.16 27.88 15.78 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.907 -0.588 . . . . 73.1 112.553 170.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.571 HD21 ' HB2' ' A' ' 59' ' ' TYR . 44.6 mt -111.32 144.31 30.22 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-O 121.013 0.435 . . . . 74.41 111.905 -176.144 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.456 ' HG2' ' HD3' ' A' ' 55' ' ' ARG . 38.1 Cg_endo -68.54 132.69 25.97 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.584 2.19 . . . . 64.32 111.831 175.078 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.559 ' HA ' HD13 ' A' ' 38' ' ' LEU . 26.8 m -89.36 7.26 3.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.044 -0.525 . . . . 75.23 111.08 -177.405 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.5 p -88.81 122.3 32.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.05 -0.523 . . . . 22.25 110.789 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 152.1 170.91 19.26 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.618 -0.801 . . . . 34.32 112.181 178.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.525 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 73.3 p -81.1 177.19 9.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.529 0.204 . . . . 74.21 110.559 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -54.18 -46.02 72.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.353 -0.385 . . . . 74.31 110.585 178.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.6 m -66.74 -44.09 82.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 74.41 110.996 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -58.63 -46.85 86.18 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-N 116.161 -0.472 . . . . 45.43 111.952 -178.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 48' ' ' THR . 53.4 mt -63.27 -37.95 89.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.728 0.299 . . . . 73.0 111.229 -176.564 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 77.8 mt -66.28 -44.67 91.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.948 0.404 . . . . 64.52 110.582 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -67.78 -32.24 72.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.302 -0.408 . . . . 72.11 110.355 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.456 ' HD3' ' HG2' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -61.07 -45.79 93.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.865 -0.607 . . . . 61.13 109.687 177.384 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.8 mt -60.43 -46.27 90.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.668 -0.696 . . . . 74.21 110.469 176.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -61.59 -40.97 96.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.796 -0.638 . . . . 72.33 111.325 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.42 -33.8 76.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.381 -0.372 . . . . 53.41 111.029 178.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.571 ' HB2' HD21 ' A' ' 43' ' ' LEU . 68.8 t80 -72.47 -41.99 65.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.433 -0.349 . . . . 73.42 110.525 178.033 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.554 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 19.0 tm0? -65.24 -34.38 78.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.106 0.479 . . . . 73.14 109.874 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -60.14 -43.51 95.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.922 -0.581 . . . . 64.42 110.756 177.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -85.87 8.13 21.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.027 -0.533 . . . . 64.11 111.774 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 59' ' ' TYR . 29.8 mm -73.3 -31.06 32.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.166 0.508 . . . . 62.12 110.007 174.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.2 m -109.2 100.43 40.78 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.019 -0.537 . . . . 45.03 110.629 178.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -72.15 104.91 1.74 Allowed 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.168 1.912 . . . . 72.23 111.008 175.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.431 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 25.7 m -87.47 138.7 31.83 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 116.426 -0.352 . . . . 73.21 111.139 -175.107 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 66' ' ' VAL . 25.1 Cg_exo -63.73 138.13 62.36 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.654 2.236 . . . . 64.24 110.955 173.596 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.515 ' H ' ' HB2' ' A' ' 74' ' ' ALA . . . 85.2 -67.01 3.73 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.604 -0.808 . . . . 72.22 111.36 -175.049 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.432 ' HB3' ' HB3' ' A' ' 72' ' ' ALA . . . 63.48 169.77 0.09 OUTLIER Pre-proline 0 N--CA 1.467 0.381 0 C-N-CA 123.004 0.521 . . . . 73.42 111.35 177.279 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -72.26 77.13 2.09 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 121.979 1.786 . . . . 62.44 111.129 173.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.415 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 5.2 tmmm? 57.09 81.38 0.14 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.646 -0.706 . . . . 74.14 110.378 -176.216 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.432 ' HB3' ' HB3' ' A' ' 69' ' ' ALA . . . -163.25 161.13 18.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.794 -0.639 . . . . 35.15 110.183 -179.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -63.25 147.21 94.05 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.543 2.162 . . . . 64.01 111.867 174.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.515 ' HB2' ' H ' ' A' ' 68' ' ' GLY . . . -125.13 155.51 39.79 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.344 -0.389 . . . . 75.14 110.935 -178.382 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.234 0 CA-C-O 118.482 -0.77 . . . . 54.4 110.064 178.412 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.8 mmm . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 120.791 0.329 . . . . 70.33 110.602 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 108.47 -121.83 6.42 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 121.013 -0.613 . . . . 50.13 112.054 177.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -98.42 159.74 14.75 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.874 -0.417 . . . . 64.12 109.874 178.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.0 m80 -75.41 108.5 8.25 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.805 -0.442 . . . . 73.4 109.805 176.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -73.52 -22.58 60.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.366 -0.834 . . . . 62.2 111.185 -175.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -93.0 74.73 4.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.576 0.703 . . . . 70.34 109.71 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -153.5 132.07 12.2 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.917 -1.038 . . . . 62.31 108.652 -178.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -102.53 147.83 26.29 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.278 0.561 . . . . 72.22 111.475 -175.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.6 t -87.56 118.75 27.25 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.289 -0.869 . . . . 74.42 109.213 173.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -83.43 -20.07 34.77 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.16 -0.681 . . . . 74.35 109.16 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 27.0 ttt -67.21 -32.6 73.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.412 -0.813 . . . . 70.11 109.471 174.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.0 m -83.81 91.31 7.51 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.627 -0.715 . . . . 63.01 109.467 175.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 38.1 m -102.91 138.74 19.65 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 115.557 -0.747 . . . . 71.15 110.274 -175.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 11.5 Cg_exo -71.07 92.75 0.64 Allowed 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 122.028 1.819 . . . . 74.31 110.78 172.289 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.26 -35.11 77.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 70.0 110.308 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.3 t -139.6 165.05 28.28 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.915 -0.584 . . . . 63.3 109.461 177.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -117.46 -120.15 3.06 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.694 -0.765 . . . . 64.13 112.034 -178.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -146.06 152.91 48.53 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 109.731 -0.47 . . . . 61.01 109.731 178.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -57.77 125.91 20.14 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.845 2.363 . . . . 74.21 112.314 177.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 177.55 -33.78 0.08 OUTLIER Glycine 0 CA--C 1.508 -0.364 0 N-CA-C 110.926 -0.869 . . . . 51.13 110.926 -178.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.29 178.87 5.85 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.742 -0.466 . . . . 64.22 109.742 174.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.788 HD13 HD11 ' A' ' 26' ' ' LEU . 95.4 mt -90.0 154.74 47.52 Favored Pre-proline 0 C--N 1.319 -0.749 0 CA-C-N 116.653 -0.249 . . . . 74.32 110.901 -178.064 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.417 ' HD2' HD21 ' A' ' 26' ' ' LEU . 39.5 Cg_endo -69.58 -173.22 0.65 Allowed 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.531 2.154 . . . . 55.54 111.582 172.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.51 -49.07 9.61 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.889 0.376 . . . . 63.44 111.059 -176.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -104.51 89.61 3.27 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.096 0.474 . . . . 71.55 111.901 -176.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.788 HD11 HD13 ' A' ' 22' ' ' LEU . 95.9 mt -79.81 -21.95 43.64 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.447 0.642 . . . . 73.24 109.858 172.617 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.438 ' HA ' HD13 ' A' ' 53' ' ' ILE . 9.6 p-10 -80.21 -20.48 44.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.298 -0.865 . . . . 72.32 110.996 -176.529 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -80.65 -30.46 36.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.957 -0.565 . . . . 60.01 111.222 -175.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 66.0 mtm -70.2 163.46 26.35 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.032 0.444 . . . . 74.41 111.194 -177.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.559 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 65.2 mttt -73.11 168.14 19.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.782 -0.645 . . . . 72.34 110.256 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.414 ' O ' ' HG3' ' A' ' 35' ' ' LYS . 61.0 t -67.86 -35.18 71.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.119 0.485 . . . . 74.04 109.84 178.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.87 -36.81 85.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.704 -0.68 . . . . 53.24 110.915 178.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.559 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 15.8 mm-40 -66.49 -40.32 89.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.18 0.514 . . . . 72.52 109.961 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.53 -42.09 99.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.545 -0.752 . . . . 72.01 110.254 177.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.543 ' HA ' HD12 ' A' ' 38' ' ' LEU . 96.3 mttt -60.3 -34.46 73.81 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.027 -0.533 . . . . 64.05 111.162 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 -62.14 -46.08 90.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.658 0.265 . . . . 71.1 110.719 178.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -65.58 -28.86 69.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.038 0.446 . . . . 72.22 110.942 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.559 HD13 ' HA ' ' A' ' 45' ' ' VAL . 49.2 mt -78.13 -50.94 11.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.809 -0.632 . . . . 34.24 111.239 -179.319 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -65.22 -25.64 67.78 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.453 -0.34 . . . . 64.31 111.517 -174.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 87.7 mt -79.98 -10.64 59.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.769 0.319 . . . . 75.55 111.138 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 58.2 mtt85 -125.34 17.65 8.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.57 -0.286 . . . . 62.52 111.327 -176.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.8 m 62.34 30.8 17.49 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.086 -0.506 . . . . 72.45 111.414 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.2 mt -96.63 149.56 35.96 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 116.107 -0.497 . . . . 75.15 110.756 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.548 ' HD2' ' HD3' ' A' ' 55' ' ' ARG . 25.7 Cg_exo -63.94 123.13 11.44 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.905 2.403 . . . . 52.53 112.182 175.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.559 ' HA ' HD13 ' A' ' 38' ' ' LEU . 33.1 m -94.25 -7.8 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 72.13 111.1 -178.19 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.1 t -87.71 157.45 19.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.998 -0.547 . . . . 74.42 110.056 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.96 -166.76 12.46 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.889 -0.672 . . . . 52.55 111.8 -178.662 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.475 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 36.3 p -83.91 166.62 17.7 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 110.389 -0.226 . . . . 73.04 110.389 178.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.419 ' O ' HG13 ' A' ' 53' ' ' ILE . 88.5 tttt -63.37 -38.2 90.24 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.775 -0.454 . . . . 65.44 109.775 177.367 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.6 m -56.63 -41.07 76.5 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.995 -0.548 . . . . 61.31 110.737 177.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -59.03 -53.66 55.92 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.982 -0.554 . . . . 65.32 110.807 176.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 48' ' ' THR . 23.2 mt -61.57 -46.63 89.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.795 -0.639 . . . . 74.23 111.476 -173.516 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.466 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 92.4 mt -56.14 -54.41 27.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 115.946 -0.57 . . . . 73.23 111.581 -178.269 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -77.52 -24.73 49.94 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.24 -0.437 . . . . 74.22 111.611 -173.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.548 ' HD3' ' HD2' ' A' ' 44' ' ' PRO . 26.8 ttm180 -64.28 -38.21 90.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.141 0.496 . . . . 64.31 109.855 175.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.79 -44.68 92.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.721 -0.672 . . . . 62.22 110.095 174.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 51.7 mtp180 -58.99 -50.78 72.8 Favored 'General case' 0 CA--C 1.522 -0.121 0 CA-C-N 115.92 -0.582 . . . . 74.2 110.283 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.22 -36.44 79.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.937 -0.574 . . . . 73.1 111.71 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.588 ' O ' HG13 ' A' ' 63' ' ' ILE . 66.5 t80 -69.07 -43.17 75.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.299 -0.41 . . . . 74.34 110.529 -179.416 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.528 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 23.4 tm0? -74.21 -30.9 62.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.113 0.482 . . . . 65.01 110.189 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.18 -31.91 69.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.51 -0.768 . . . . 72.24 111.057 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -98.56 9.36 43.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.887 -0.597 . . . . 75.14 111.094 -178.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.588 HG13 ' O ' ' A' ' 59' ' ' TYR . 70.3 mt -97.71 -60.03 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.916 0.389 . . . . 70.41 110.549 176.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.5 m -146.71 94.05 4.77 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-O 120.895 0.379 . . . . 75.43 110.85 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_endo -88.61 19.08 1.37 Allowed 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 123.446 2.764 . . . . 63.42 112.139 177.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.8 m -129.79 155.64 80.15 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.019 -0.537 . . . . 52.1 110.944 -175.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -79.68 -15.07 12.38 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 123.235 2.623 . . . . 70.52 113.104 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -105.53 -65.37 0.66 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.521 -0.847 . . . . 73.14 111.917 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 68.61 154.23 0.14 Allowed Pre-proline 0 N--CA 1.466 0.326 0 C-N-CA 123.42 0.688 . . . . 74.42 112.203 177.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -62.62 118.74 5.64 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.228 1.952 . . . . 75.13 110.528 172.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -75.78 80.51 2.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.276 0.56 . . . . 74.22 111.109 -173.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -125.08 114.33 26.3 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.448 -0.796 . . . . 64.42 109.338 175.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.56 128.42 28.22 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.825 2.35 . . . . 63.44 112.187 -178.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -107.66 149.45 28.09 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.148 -0.478 . . . . 55.33 111.009 -177.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.518 -0.753 . . . . 64.13 110.33 177.729 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 109.823 -0.436 . . . . 71.01 109.823 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 154.04 -160.09 29.19 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.225 -0.988 . . . . 64.22 112.517 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 25.4 p80 -127.48 -179.74 5.07 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.722 0.296 . . . . 73.32 110.715 -176.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 63.3 m80 -95.12 158.56 15.41 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.998 -0.546 . . . . 72.33 109.898 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -83.01 -68.66 0.69 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.338 -0.392 . . . . 71.3 110.895 -175.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 50.4 t60 58.08 41.83 23.4 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.339 0.59 . . . . 64.52 110.508 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -117.28 16.42 14.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.239 -0.437 . . . . 71.13 111.398 -178.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -78.62 101.59 7.53 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.582 -0.525 . . . . 64.11 109.582 176.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 t -67.97 130.35 42.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.183 0.516 . . . . 74.34 110.429 -177.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.622 ' O ' ' HG2' ' A' ' 11' ' ' MET . 4.5 p80 -139.5 22.3 2.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.783 -0.644 . . . . 74.43 110.093 -178.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.622 ' HG2' ' O ' ' A' ' 10' ' ' HIS . 9.1 ptt? 67.96 136.73 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.739 1.216 . . . . 62.25 112.436 177.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.4 m -136.3 159.96 40.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.263 -0.88 . . . . 74.22 109.631 178.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.7 p -83.26 154.29 66.47 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-O 120.656 0.265 . . . . 74.24 111.164 178.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.32 120.76 8.17 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.562 2.174 . . . . 64.11 111.92 177.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.3 tp -97.01 99.94 11.46 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.224 -0.444 . . . . 73.45 109.906 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.1 m -73.21 -32.65 64.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.122 -0.49 . . . . 71.24 110.901 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 167.95 -98.53 0.14 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.479 -0.867 . . . . 72.41 112.74 178.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 19.9 ptpt -155.59 147.06 16.84 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 110.354 -0.239 . . . . 74.13 110.354 -176.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 18' ' ' LYS . 8.3 Cg_endo -88.27 105.35 0.5 Allowed 'Trans proline' 0 N--CA 1.452 -0.947 0 C-N-CA 123.025 2.483 . . . . 75.31 111.995 174.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.1 -40.5 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.744 -0.741 . . . . 32.03 111.922 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.38 149.2 31.54 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.313 -0.254 . . . . 62.33 110.313 -177.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.7 mt -88.5 152.06 49.06 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.526 -0.306 . . . . 74.23 110.315 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.405 ' HG2' HD23 ' A' ' 26' ' ' LEU . 17.8 Cg_endo -61.79 149.72 88.87 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.439 2.093 . . . . 73.33 111.342 174.242 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.47 -27.29 58.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.189 0.518 . . . . 54.14 110.534 -177.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.611 ' HB3' ' HB2' ' A' ' 28' ' ' ASP . 18.8 m120 -100.11 78.06 2.04 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.577 -0.738 . . . . 42.33 110.337 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.405 HD23 ' HG2' ' A' ' 23' ' ' PRO . 75.0 mt -84.79 -39.52 18.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.001 0.429 . . . . 75.52 110.76 -179.232 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -73.26 -20.71 60.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.289 0.566 . . . . 61.04 110.398 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.611 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 12.1 m-20 -77.83 -18.11 56.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.842 -0.617 . . . . 45.21 110.163 177.025 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.441 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 68.4 mmm -77.81 146.67 35.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.807 -0.633 . . . . 70.14 110.018 178.261 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.504 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 24.8 mtpp -78.24 166.57 22.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.464 -0.335 . . . . 72.33 110.408 179.544 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.9 t -61.58 -38.81 81.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.103 0.478 . . . . 74.43 110.409 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.16 -23.78 65.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.804 -0.635 . . . . 65.13 110.882 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.504 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 9.6 mm-40 -78.95 -44.4 22.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.021 -0.536 . . . . 72.2 110.073 178.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.2 mt -59.43 -43.37 93.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.558 -0.746 . . . . 55.43 110.586 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.5 ' HA ' HD12 ' A' ' 38' ' ' LEU . 97.2 mttt -58.44 -34.1 70.45 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.995 -0.548 . . . . 72.33 111.528 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.404 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 88.2 mm-40 -60.4 -51.84 67.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.464 -0.334 . . . . 73.14 111.01 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -71.86 -28.13 63.33 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.775 -0.37 . . . . 72.02 111.338 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 35' ' ' LYS . 78.2 mt -62.35 -56.56 17.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.608 0.242 . . . . 72.15 110.576 175.645 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.448 ' HE2' HG11 ' A' ' 45' ' ' VAL . 17.2 ptpt -64.87 -27.17 68.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.497 -0.319 . . . . 74.33 111.413 -175.399 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 36' ' ' GLN . 90.8 mt -80.6 -17.61 50.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.575 0.226 . . . . 62.52 111.325 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 74.6 mtt-85 -112.74 23.08 13.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.551 0.215 . . . . 73.42 111.048 -178.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.8 t 69.08 20.72 7.6 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.951 -0.568 . . . . 64.42 111.559 175.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.427 HD22 ' HG2' ' A' ' 55' ' ' ARG . 36.3 mt -99.82 145.3 29.91 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.373 -0.376 . . . . 74.12 110.981 -178.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -63.88 141.13 76.65 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.833 2.355 . . . . 74.12 111.689 174.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.448 HG11 ' HE2' ' A' ' 39' ' ' LYS . 32.5 m -99.12 -11.46 8.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.847 0.356 . . . . 72.21 111.638 -174.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.3 t -82.15 142.86 31.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.393 -0.367 . . . . 74.04 110.187 178.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 137.29 168.4 11.36 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.879 -0.676 . . . . 45.11 111.843 -179.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.603 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 23.5 p -73.99 162.18 29.31 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.573 0.187 . . . . 70.5 110.855 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.436 ' O ' HG13 ' A' ' 53' ' ' ILE . 75.5 tttt -54.28 -51.33 64.95 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.853 0.359 . . . . 73.52 111.098 -176.71 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.2 m -59.42 -40.75 87.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.913 -0.585 . . . . 72.3 110.895 -178.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -61.18 -45.04 96.22 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 115.933 -0.576 . . . . 73.52 110.775 178.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 48' ' ' THR . 55.0 mt -62.69 -42.44 99.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 71.14 110.653 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.496 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 81.9 mt -60.63 -51.94 67.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.174 -0.466 . . . . 72.34 110.887 178.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.48 ' HG2' ' NH2' ' A' ' 57' ' ' ARG . 33.4 mt-10 -67.31 -31.4 71.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.417 -0.356 . . . . 74.51 111.133 -178.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.427 ' HG2' HD22 ' A' ' 43' ' ' LEU . 33.8 ttm180 -59.85 -40.25 87.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.135 0.493 . . . . 74.0 109.877 177.37 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.4 mt -68.95 -44.57 72.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.634 -0.712 . . . . 74.51 110.506 175.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 25.9 mtm180 -66.31 -34.14 77.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.369 -0.378 . . . . 70.12 111.393 -176.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.24 -31.44 60.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.117 0.484 . . . . 65.13 110.505 177.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.47 ' O ' HG13 ' A' ' 63' ' ' ILE . 92.9 t80 -68.89 -43.18 75.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.936 -0.575 . . . . 73.14 110.209 176.497 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.3 tm0? -73.74 -29.83 62.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.939 -0.573 . . . . 74.24 110.399 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -57.65 -44.3 85.55 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.248 -0.433 . . . . 74.03 111.304 178.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -78.42 -7.73 57.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 74.35 111.131 -178.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 59' ' ' TYR . 74.3 mt -86.35 -31.34 6.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 121.243 0.544 . . . . 73.31 109.678 175.478 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.1 t -93.43 141.86 24.46 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.364 -0.834 . . . . 72.32 110.709 -178.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -57.34 113.95 1.72 Allowed 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.868 2.379 . . . . 73.42 112.152 175.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.422 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 27.1 m -80.62 137.92 51.11 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.018 -0.537 . . . . 75.11 111.313 -178.192 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 66' ' ' VAL . 52.3 Cg_exo -56.44 -61.94 0.29 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.001 2.467 . . . . 64.22 112.646 177.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -146.63 -3.38 0.51 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.183 -1.008 . . . . 52.01 113.442 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 63.83 97.81 0.04 OUTLIER Pre-proline 0 N--CA 1.464 0.259 0 C-N-CA 122.909 0.484 . . . . 34.33 110.426 -176.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -54.89 100.02 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 123.325 2.683 . . . . 73.43 113.104 -174.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.454 ' HD2' ' HA ' ' A' ' 71' ' ' LYS . 41.0 tptt -89.39 98.99 12.08 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 108.584 -0.895 . . . . 75.14 108.584 175.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -43.93 108.93 0.75 Allowed Pre-proline 0 N--CA 1.464 0.268 0 O-C-N 124.045 0.841 . . . . 74.23 112.856 -172.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -97.47 -173.46 0.19 Allowed 'Trans proline' 0 N--CA 1.45 -1.061 0 C-N-CA 123.566 2.844 . . . . 75.54 111.941 176.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -150.5 155.5 39.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.358 -0.383 . . . . 54.54 110.007 178.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.868 0 CA-C-O 118.578 -0.725 . . . . 75.43 109.802 178.114 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.3 ttp . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.555 0.217 . . . . 73.13 111.142 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -75.52 -4.95 76.65 Favored Glycine 0 C--N 1.335 0.495 0 C-N-CA 121.46 -0.4 . . . . 61.33 113.595 -175.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -124.15 -43.08 2.1 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.005 0.431 . . . . 74.14 110.269 176.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 52.7 m-70 -107.6 109.19 20.76 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.269 -0.641 . . . . 72.4 109.269 174.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -111.25 116.07 30.41 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.088 -0.506 . . . . 74.25 110.573 -174.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -112.1 114.97 28.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.062 -0.517 . . . . 70.31 110.686 176.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -147.12 3.34 0.8 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.93 -0.577 . . . . 71.13 109.958 177.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -134.78 152.53 51.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.85 -0.614 . . . . 71.42 109.599 177.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.7 t -146.25 134.49 21.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.935 0.398 . . . . 72.33 110.567 178.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -117.97 91.33 3.54 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.183 -0.673 . . . . 72.13 109.183 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 66.8 mtt -97.45 -54.52 3.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.394 -0.366 . . . . 64.23 110.611 -176.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.3 m 58.08 74.13 0.44 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.637 0.732 . . . . 53.52 110.521 -174.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.0 m -74.02 128.93 85.64 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 114.64 -1.164 . . . . 75.23 110.885 -176.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.51 130.54 41.07 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.757 2.305 . . . . 74.05 112.016 177.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.0 mt -76.46 135.68 39.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.09 -0.505 . . . . 73.22 110.697 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.4 m -88.55 115.34 26.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.098 -0.501 . . . . 74.25 110.443 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 141.75 -121.42 1.83 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.854 -0.689 . . . . 73.41 112.402 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.45 ' HE2' ' HB3' ' A' ' 18' ' ' LYS . 40.9 mtpt 60.0 101.62 0.04 OUTLIER Pre-proline 0 N--CA 1.464 0.271 0 C-N-CA 123.415 0.686 . . . . 72.1 112.069 -178.032 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.08 118.09 5.21 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.507 2.138 . . . . 72.43 112.463 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.91 -36.14 14.12 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 110.903 -0.879 . . . . 54.01 110.903 174.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.32 -174.21 2.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.286 -0.457 . . . . 65.43 110.571 177.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.6 mt -103.76 146.75 33.1 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 120.827 0.346 . . . . 55.33 111.752 -173.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -70.35 153.79 65.92 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.399 2.066 . . . . 71.13 110.444 169.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.31 1.77 43.39 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.85 0.357 . . . . 71.0 111.46 -176.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.511 ' O ' ' HG3' ' A' ' 29' ' ' MET . 7.0 m-20 -104.74 36.27 2.49 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.417 -0.356 . . . . 62.13 111.371 -178.388 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.5 mt -57.63 -40.63 79.67 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.943 0.349 . . . . 72.41 111.943 -176.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -82.24 -17.13 47.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.156 0.503 . . . . 72.11 110.421 -178.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.506 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 8.6 m-20 -84.48 -9.33 58.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.733 -0.667 . . . . 72.22 110.028 177.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' MET . . . . . 0.511 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 89.9 mtp -94.92 147.08 23.76 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.843 -0.617 . . . . 50.51 110.583 -179.465 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.408 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 57.0 mttp -82.74 174.55 10.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.892 -0.595 . . . . 61.23 110.946 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.511 HG12 ' HE3' ' A' ' 35' ' ' LYS . 36.5 t -61.47 -46.3 96.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.81 -0.632 . . . . 65.44 110.02 179.549 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.91 -40.67 96.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.739 -0.664 . . . . 72.23 110.963 178.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -63.57 -43.61 96.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 74.34 110.997 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 95.7 mt -65.56 -39.0 91.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.38 -0.373 . . . . 73.43 111.213 -178.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.567 ' HA ' HD12 ' A' ' 38' ' ' LEU . 98.2 mttt -60.34 -32.93 71.72 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.397 -0.365 . . . . 74.13 111.422 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.406 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 88.0 mm-40 -63.46 -49.3 74.19 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.883 -0.414 . . . . 75.34 109.883 176.285 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HG3' ' HE1' ' A' ' 29' ' ' MET . 50.3 mm-40 -63.93 -34.11 77.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.621 -0.718 . . . . 65.1 111.374 -179.476 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.567 HD12 ' HA ' ' A' ' 35' ' ' LYS . 59.5 mt -63.48 -61.1 2.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.002 -0.544 . . . . 72.53 111.388 179.29 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -66.88 -26.44 66.88 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.128 0.418 . . . . 60.51 112.128 -172.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 36' ' ' GLN . 69.2 mt -68.94 -22.74 64.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.003 0.43 . . . . 63.52 110.719 176.73 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -105.99 13.22 29.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.125 -0.489 . . . . 74.14 110.226 177.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.5 m 61.77 67.94 0.73 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.815 -0.629 . . . . 73.44 110.845 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 33.2 mt -136.63 145.61 51.99 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.789 -0.641 . . . . 51.33 110.37 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.53 ' HD2' ' HD3' ' A' ' 55' ' ' ARG . 36.3 Cg_exo -60.47 142.19 97.37 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.607 2.205 . . . . 60.01 111.465 175.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.53 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 35.5 m -107.57 1.23 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.911 0.386 . . . . 64.42 111.626 -175.09 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.9 m -73.39 159.75 32.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.257 -0.429 . . . . 73.23 110.808 178.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.2 -174.24 20.38 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.807 -0.711 . . . . 74.21 112.392 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.646 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 7.3 p -96.58 -178.22 4.19 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 122.302 0.241 . . . . 62.42 110.543 178.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.508 ' HB2' HG22 ' A' ' 31' ' ' VAL . 82.8 tttt -53.03 -54.27 37.8 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.811 0.338 . . . . 71.32 111.465 -179.361 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.9 m -62.99 -36.04 82.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.232 -0.44 . . . . 73.43 111.348 -175.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -59.14 -41.97 89.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.968 0.413 . . . . 54.32 110.167 177.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' A' ' 48' ' ' THR . 22.7 mt -67.67 -41.09 84.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.885 -0.598 . . . . 73.22 110.34 -179.486 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.556 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 74.2 mt -59.31 -51.56 71.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 116.093 -0.503 . . . . 73.14 110.585 178.345 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -64.09 -36.34 83.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 72.32 110.976 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.53 ' HD3' ' HD2' ' A' ' 44' ' ' PRO . 37.6 ttm180 -65.27 -41.53 94.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.892 -0.595 . . . . 70.43 110.621 178.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.63 -42.89 99.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 63.44 110.627 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.556 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 63.2 mtp180 -61.04 -41.08 95.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 72.43 110.608 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.76 -32.45 73.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.966 -0.561 . . . . 60.23 111.249 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.601 ' O ' HG12 ' A' ' 63' ' ' ILE . 87.4 t80 -76.23 -40.52 51.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.519 -0.31 . . . . 75.1 110.752 178.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.7 tm0? -65.05 -39.53 93.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.964 0.412 . . . . 71.21 110.106 -178.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -59.42 -42.55 92.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.959 -0.564 . . . . 74.45 110.987 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -80.58 -2.46 46.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.386 -0.37 . . . . 73.51 111.407 -176.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.601 HG12 ' O ' ' A' ' 59' ' ' TYR . 33.4 mm -76.87 -23.32 15.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.549 -0.537 . . . . 73.34 109.549 173.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.9 m 71.64 90.52 0.07 OUTLIER Pre-proline 0 N--CA 1.464 0.231 0 CA-C-N 115.187 -0.915 . . . . 74.5 110.862 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -68.98 120.71 7.59 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.877 2.385 . . . . 74.3 111.667 178.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.447 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 30.2 m -65.07 142.88 98.75 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.199 -0.455 . . . . 65.4 111.405 -179.386 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 66' ' ' VAL . 11.4 Cg_exo -70.63 -78.49 0.01 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.815 2.343 . . . . 75.11 112.492 -179.185 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -121.81 54.26 0.69 Allowed Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.684 -0.769 . . . . 73.34 112.147 -178.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -115.51 101.41 54.26 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-O 120.676 0.274 . . . . 64.4 110.426 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.67 112.51 3.5 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.719 2.279 . . . . 70.44 112.476 -178.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.428 ' HD3' ' HA ' ' A' ' 71' ' ' LYS . 69.8 mmtt -110.37 13.56 22.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.25 0.548 . . . . 62.31 110.522 177.006 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -147.59 143.69 18.29 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.308 -0.86 . . . . 53.41 109.521 177.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -72.57 94.48 0.77 Allowed 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.754 2.302 . . . . 72.14 111.824 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -159.38 179.25 9.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.918 -0.583 . . . . 72.52 109.889 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.62 -0.705 . . . . 74.1 109.651 177.78 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.627 HD13 HD11 ' A' ' 26' ' ' LEU . 79.2 mt . . . . . 0 C--O 1.234 0.261 0 N-CA-C 110.316 -0.253 . . . . 72.02 110.316 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.44 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 42.9 Cg_endo -71.63 144.28 44.13 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 121.938 1.759 . . . . 72.24 110.546 169.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.62 12.65 1.95 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.869 0.366 . . . . 74.04 111.256 -175.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -122.01 28.57 7.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.181 -0.463 . . . . 74.25 110.483 -173.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.627 HD11 HD13 ' A' ' 22' ' ' LEU . 96.3 mt -56.91 -46.69 81.8 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.032 -0.531 . . . . 74.21 111.904 -176.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -69.6 -27.19 64.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.169 -0.469 . . . . 75.21 111.231 -176.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -79.8 -13.05 59.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.793 0.33 . . . . 73.42 111.321 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 60.2 mtm -87.09 170.21 11.72 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.698 -0.482 . . . . 72.13 109.698 174.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.537 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -101.43 175.97 5.4 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.469 -0.332 . . . . 62.51 110.977 -175.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.6 t -58.89 -47.38 89.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.732 -0.667 . . . . 75.32 111.785 -176.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.45 -32.4 71.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.762 0.315 . . . . 40.35 110.883 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.537 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 5.4 mm-40 -65.03 -45.13 86.71 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.68 -0.489 . . . . 73.2 109.68 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.6 -37.44 87.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.764 -0.653 . . . . 75.14 110.601 178.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.562 ' HA ' HD12 ' A' ' 38' ' ' LEU . 94.1 mttt -65.84 -25.37 67.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.033 -0.531 . . . . 75.34 111.145 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -59.76 -46.82 87.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.758 -0.201 . . . . 73.54 110.663 176.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -65.92 -45.94 80.07 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.748 -0.381 . . . . 71.31 110.513 176.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 35' ' ' LYS . 87.0 mt -54.2 -56.35 19.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.262 -0.426 . . . . 74.34 111.849 -177.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -65.84 -26.35 67.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.66 0.267 . . . . 74.33 111.523 -174.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.7 mt -87.05 -33.56 19.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.58 -0.282 . . . . 71.32 111.642 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -94.66 18.21 11.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.815 -0.175 . . . . 64.41 111.421 -176.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.0 m 65.68 52.34 1.33 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.323 0.582 . . . . 70.5 111.258 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.479 HD22 ' HG2' ' A' ' 55' ' ' ARG . 28.6 mt -128.88 133.16 24.89 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.947 -0.57 . . . . 63.4 110.89 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -65.91 128.97 20.87 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 122.554 2.169 . . . . 75.34 111.928 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.3 m -89.4 12.94 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.123 -0.49 . . . . 71.25 111.582 -176.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 m -78.48 114.3 17.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.189 -0.46 . . . . 72.42 111.12 -177.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 143.23 -163.94 27.35 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.47 -0.871 . . . . 64.13 112.898 176.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.66 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 32.4 p -98.83 171.04 8.33 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.222 -0.288 . . . . 71.35 110.222 178.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -55.33 -35.67 65.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.005 0.431 . . . . 71.23 110.196 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.7 m -57.09 -47.62 80.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.53 -0.759 . . . . 74.04 110.534 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -65.76 -41.88 91.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.934 -0.575 . . . . 74.32 110.992 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' ' 48' ' ' THR . 31.4 mt -57.62 -48.55 79.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.312 -0.403 . . . . 61.15 111.028 -176.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.7 mt -63.15 -47.2 93.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.431 -0.349 . . . . 73.44 110.957 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -63.51 -38.6 91.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.306 -0.406 . . . . 75.02 111.212 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.479 ' HG2' HD22 ' A' ' 43' ' ' LEU . 24.5 ttm180 -67.51 -39.86 85.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.01 -0.541 . . . . 75.33 110.216 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 70.9 mt -62.33 -43.18 99.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.985 -0.552 . . . . 75.31 110.136 173.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -59.47 -43.09 93.31 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 115.81 -0.632 . . . . 63.31 111.104 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.38 88.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.939 0.4 . . . . 53.24 111.47 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -72.93 -21.9 60.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.435 0.636 . . . . 62.15 110.187 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.466 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -85.41 -38.48 18.63 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.591 -0.731 . . . . 55.52 109.176 176.416 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -61.66 -32.83 73.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.507 -0.769 . . . . 74.44 111.902 -174.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.151 0.5 . . . . 73.4 110.972 177.716 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.3 mt . . . . . 0 N--CA 1.454 -0.245 0 CA-C-O 120.612 0.244 . . . . 75.03 110.834 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.49 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 72.5 Cg_endo -77.88 151.94 28.17 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.39 2.06 . . . . 65.32 111.396 173.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.69 12.78 2.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.118 0.485 . . . . 65.23 111.094 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -104.35 16.12 26.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.923 -0.58 . . . . 70.3 110.916 -178.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 23' ' ' PRO . 92.3 mt -57.97 -35.31 71.0 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.916 0.389 . . . . 72.14 110.979 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.11 -28.29 69.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.952 -0.567 . . . . 54.34 111.369 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -85.78 -31.6 22.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.882 0.372 . . . . 65.21 110.273 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 89.4 mtp -62.15 140.99 58.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.787 -0.642 . . . . 74.21 110.495 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.615 ' HD2' ' N ' ' A' ' 30' ' ' LYS . 7.1 mptt -84.07 171.06 13.25 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.512 -0.767 . . . . 73.14 110.709 -174.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.507 HG12 ' HE3' ' A' ' 35' ' ' LYS . 60.6 t -56.41 -41.74 72.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.914 0.388 . . . . 73.34 109.992 177.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.453 ' O ' ' HG2' ' A' ' 36' ' ' GLN . . . -62.19 -43.95 97.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.724 -0.671 . . . . 64.41 110.773 177.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -62.94 -40.17 96.84 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.208 -0.451 . . . . 71.4 110.916 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 85.9 mt -65.61 -40.82 93.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.114 -0.493 . . . . 63.13 110.554 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.507 ' HE3' HG12 ' A' ' 31' ' ' VAL . 98.0 mttt -61.01 -33.21 72.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.124 -0.489 . . . . 64.55 111.257 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 17.2 mm100 -61.21 -46.39 90.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.4 -0.363 . . . . 73.43 110.587 178.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -69.11 -34.58 75.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.22 -0.445 . . . . 72.21 110.816 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.542 HD13 ' HA ' ' A' ' 45' ' ' VAL . 90.5 mt -65.3 -55.23 19.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.133 -0.485 . . . . 54.14 111.202 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -64.39 -34.49 78.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.709 0.29 . . . . 64.34 111.319 -174.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.7 mt -80.71 -10.28 59.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.529 -0.305 . . . . 72.21 111.766 -176.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -118.99 13.75 13.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.592 0.234 . . . . 75.15 110.776 178.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.8 m 62.71 69.36 0.6 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.749 -0.66 . . . . 45.44 110.852 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.2 mt -139.29 148.84 58.5 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.606 -0.724 . . . . 74.33 110.434 -178.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.645 ' HG2' ' HD3' ' A' ' 55' ' ' ARG . 20.4 Cg_endo -62.8 122.05 10.2 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.503 2.136 . . . . 63.33 111.834 176.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.542 ' HA ' HD13 ' A' ' 38' ' ' LEU . 27.7 m -92.91 6.21 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.831 -0.622 . . . . 62.43 111.949 -175.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.3 m -101.68 139.86 36.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.803 0.335 . . . . 73.44 110.688 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 140.29 -178.43 19.91 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.926 -0.579 . . . . 75.21 112.005 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.563 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 22.2 p -83.0 161.63 21.68 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.995 -0.372 . . . . 65.54 109.995 177.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.423 ' HE2' HD11 ' A' ' 53' ' ' ILE . 86.6 tttt -59.23 -39.65 83.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.479 0.18 . . . . 65.23 111.13 -178.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.4 m -56.86 -48.18 78.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.016 0.436 . . . . 62.34 110.405 177.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -62.39 -46.27 89.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.732 -0.667 . . . . 72.21 110.983 177.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 48' ' ' THR . 85.4 mt -62.05 -46.1 90.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 62.21 111.611 -176.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.523 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 69.0 mt -61.33 -50.49 80.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 120.702 0.287 . . . . 74.14 110.812 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -67.81 -25.82 65.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.492 -0.322 . . . . 74.14 110.798 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.645 ' HD3' ' HG2' ' A' ' 44' ' ' PRO . 37.9 ttm180 -65.84 -41.79 91.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.184 -0.462 . . . . 72.41 110.203 176.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 77.1 mt -66.09 -43.98 85.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.859 -0.61 . . . . 62.51 110.281 175.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.523 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 53.6 mtp180 -62.58 -40.09 95.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 74.42 110.298 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.14 -34.81 79.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 74.04 110.932 177.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 57.0 t80 -66.39 -40.9 89.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.106 -0.497 . . . . 74.44 110.37 179.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.22 -36.32 66.44 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.338 -0.392 . . . . 71.13 110.058 178.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -71.6 -22.3 61.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.811 -0.631 . . . . 65.25 111.835 -177.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 121.896 -0.503 . . . . 72.33 110.651 176.473 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.494 HD13 ' HB3' ' A' ' 56' ' ' LEU . 97.6 mt . . . . . 0 N--CA 1.455 -0.207 0 N-CA-C 110.168 -0.308 . . . . 73.05 110.168 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.53 126.61 20.36 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.397 2.065 . . . . 74.21 110.984 173.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.05 -45.78 75.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.157 -0.474 . . . . 64.42 111.798 -176.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -86.19 67.6 10.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.991 0.424 . . . . 61.3 111.538 -178.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.5 -19.84 64.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.264 0.554 . . . . 71.11 109.633 173.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -67.73 -33.25 74.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.276 -0.875 . . . . 62.43 110.712 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.13 -15.76 54.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.874 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 94.5 mmm -73.37 146.51 45.13 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.129 -0.487 . . . . 72.44 110.848 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.516 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 63.4 mttp -66.34 157.73 31.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.087 -0.506 . . . . 54.55 111.064 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.1 -46.97 92.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.628 -0.714 . . . . 75.55 110.438 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' A' ' 36' ' ' GLN . . . -66.23 -31.22 71.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.063 -0.517 . . . . 63.54 110.979 179.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.516 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 67.9 mm-40 -72.9 -34.36 66.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.317 -0.401 . . . . 75.43 110.743 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 97.2 mt -62.2 -41.14 98.07 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.55 -0.537 . . . . 73.41 109.55 173.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.554 ' HA ' HD12 ' A' ' 38' ' ' LEU . 99.5 mttt -63.11 -35.43 80.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.376 -0.829 . . . . 73.31 110.67 177.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 16.3 mm100 -60.94 -46.61 90.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 75.22 110.673 177.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.458 ' HB3' HH12 ' A' ' 41' ' ' ARG . 39.5 mm-40 -70.14 -22.69 62.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.829 -0.623 . . . . 75.22 111.174 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 35' ' ' LYS . 82.4 mt -77.21 -53.86 7.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 61.54 110.725 176.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -63.87 -24.34 67.71 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.34 -0.391 . . . . 65.33 111.885 -174.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.8 mt -75.12 -23.92 57.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.766 0.317 . . . . 65.44 111.251 178.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.458 HH12 ' HB3' ' A' ' 37' ' ' GLU . 73.2 mtt85 -115.2 21.63 14.0 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.166 -0.47 . . . . 75.21 110.977 -174.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.0 m 63.68 32.09 14.01 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.472 -0.786 . . . . 62.11 111.668 175.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.41 ' HB3' HD22 ' A' ' 38' ' ' LEU . 47.9 mt -100.17 140.7 21.68 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.041 -0.527 . . . . 65.22 110.973 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -65.04 127.55 18.72 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.656 2.237 . . . . 64.43 112.14 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.498 HG12 ' HB2' ' A' ' 38' ' ' LEU . 32.0 m -95.75 7.93 6.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.12 -0.491 . . . . 63.04 111.353 -177.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.3 p -91.19 99.69 12.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.038 -0.528 . . . . 65.21 111.307 -176.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 169.05 -174.53 43.56 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.995 -0.622 . . . . 64.1 111.94 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.656 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 41.6 p -78.75 168.95 18.98 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.242 -0.281 . . . . 72.13 110.242 177.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -58.18 -38.03 75.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.015 0.436 . . . . 74.54 109.927 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.408 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 5.7 m -58.25 -47.94 82.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.628 -0.715 . . . . 74.1 110.326 177.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 55' ' ' ARG . 73.8 mm-40 -64.86 -37.7 88.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.848 -0.615 . . . . 62.12 111.31 -179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 48' ' ' THR . 54.7 mt -61.31 -46.09 91.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.927 0.394 . . . . 61.11 110.351 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.523 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 81.3 mt -62.39 -53.1 51.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.809 -0.632 . . . . 74.43 111.042 178.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 50' ' ' THR . 28.3 mm-40 -64.63 -27.11 68.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 54.21 110.961 -176.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -65.66 -49.16 69.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 73.23 109.977 178.337 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.494 ' HB3' HD13 ' A' ' 22' ' ' LEU . 78.6 mt -59.72 -45.81 91.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.537 -0.756 . . . . 73.11 110.591 177.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.523 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 81.8 mtp180 -56.78 -48.31 78.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.74 -0.664 . . . . 71.12 110.794 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.52 -27.84 67.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 63.44 111.702 -177.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.412 ' CE2' ' HB3' ' A' ' 41' ' ' ARG . 66.5 t80 -72.47 -52.02 17.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.498 -0.319 . . . . 73.02 110.277 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.1 tm0? -65.53 -33.05 75.02 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.162 0.506 . . . . 74.35 110.069 179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -57.92 -40.11 79.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.531 -0.759 . . . . 75.14 111.267 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 120.774 0.321 . . . . 63.21 111.231 -178.921 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.43 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 86.9 mt . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.622 0.249 . . . . 74.13 110.859 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.552 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 58.7 Cg_endo -74.63 147.64 35.93 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.573 2.182 . . . . 64.44 111.156 172.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.09 -6.25 52.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.118 0.485 . . . . 52.11 111.115 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.427 ' O ' ' HG3' ' A' ' 29' ' ' MET . 14.2 m120 -96.96 33.86 1.82 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.065 -0.516 . . . . 71.5 110.572 -176.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 23' ' ' PRO . 96.6 mt -58.25 -32.44 68.36 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.27 0.47 . . . . 73.25 112.27 -177.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -82.26 -26.72 32.94 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.808 -0.357 . . . . 71.42 110.739 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.4 ' HB3' ' HB3' ' A' ' 25' ' ' ASN . 18.7 t70 -71.13 -31.18 67.42 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.418 0.628 . . . . 75.55 109.637 174.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.488 ' O ' ' HE3' ' A' ' 49' ' ' LYS . 87.8 mtp -64.73 145.02 56.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.101 -0.954 . . . . 73.42 110.192 176.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.441 ' HB2' ' OE1' ' A' ' 33' ' ' GLU . 38.1 mttp -85.09 178.53 7.51 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.162 -0.472 . . . . 73.43 110.019 -178.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.6 t -64.27 -29.32 47.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.17 -0.468 . . . . 75.24 110.399 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.0 -59.38 3.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.976 -0.556 . . . . 63.5 111.636 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.441 ' OE1' ' HB2' ' A' ' 30' ' ' LYS . 1.2 pm0 -61.95 -32.06 72.45 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.883 0.327 . . . . 74.15 111.883 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 73.2 mt -62.03 -43.33 99.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.899 0.38 . . . . 63.32 110.379 175.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.412 ' HE2' ' O ' ' A' ' 45' ' ' VAL . 98.2 mttt -67.89 -34.99 77.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 75.54 110.503 177.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -59.0 -47.73 84.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.769 0.318 . . . . 70.4 110.385 175.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -59.23 -31.06 68.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 72.51 111.358 178.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.519 HD22 ' HD2' ' A' ' 55' ' ' ARG . 88.4 mt -77.68 -55.16 5.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.325 -0.398 . . . . 71.32 111.271 179.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -64.57 -28.87 69.93 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.059 0.392 . . . . 65.34 112.059 -173.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.8 mt -76.93 -10.49 59.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.893 0.378 . . . . 75.32 111.076 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.3 mtt85 -116.92 14.58 15.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.325 -0.398 . . . . 73.55 110.839 179.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.6 m 64.29 37.88 8.31 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.856 -0.611 . . . . 72.41 111.287 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 29.4 mt -107.27 150.1 39.55 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.743 -0.662 . . . . 73.12 110.148 177.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 43' ' ' LEU . 23.6 Cg_exo -65.17 128.74 21.18 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.699 2.266 . . . . 72.32 111.577 175.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.412 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 33.1 m -93.87 7.75 5.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.964 0.411 . . . . 64.23 111.598 -174.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.0 m -84.74 140.32 31.35 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.379 -0.373 . . . . 74.43 110.673 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 136.83 174.08 13.17 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.915 -0.659 . . . . 52.25 112.261 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.635 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 36.9 p -90.4 -175.97 4.64 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 122.199 0.2 . . . . 71.23 111.212 178.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.533 ' HE2' HD11 ' A' ' 53' ' ' ILE . 23.7 tptm -52.82 -61.39 2.32 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 122.588 0.355 . . . . 72.43 111.823 -175.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.5 m -60.49 -37.22 80.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.534 -0.303 . . . . 55.53 111.66 -177.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -64.39 -42.63 96.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.664 -0.244 . . . . 64.35 111.305 -177.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 48' ' ' THR . 64.7 mt -62.42 -44.26 96.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.144 0.497 . . . . 75.53 110.082 178.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.533 HD11 ' HE2' ' A' ' 49' ' ' LYS . 67.3 mt -60.44 -49.26 85.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.451 -0.795 . . . . 72.13 110.713 177.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -65.64 -40.06 92.1 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.562 -0.744 . . . . 75.42 111.465 -174.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.519 ' HD2' HD22 ' A' ' 38' ' ' LEU . 41.3 ttm-85 -61.38 -41.1 96.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.773 0.32 . . . . 60.45 110.153 178.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 77.3 mt -59.09 -47.06 86.64 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.071 -0.513 . . . . 74.24 110.404 175.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.9 mtp85 -60.14 -44.28 95.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.699 -0.682 . . . . 74.42 111.376 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.63 -33.29 75.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.057 0.456 . . . . 73.15 111.247 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -70.92 -43.55 68.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.123 -0.49 . . . . 73.23 110.532 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.43 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 17.7 tm0? -69.29 -35.97 76.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.154 0.502 . . . . 61.12 110.013 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -63.44 -43.27 97.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.461 -0.79 . . . . 70.43 111.269 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 116.343 -0.39 . . . . 60.34 111.61 -176.207 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.3 mt . . . . . 0 CA--C 1.523 -0.095 0 CA-C-O 120.57 0.224 . . . . 75.51 110.507 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.523 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 58.4 Cg_endo -73.9 164.81 33.67 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.306 2.004 . . . . 74.31 111.632 175.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.94 -8.25 59.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.296 0.57 . . . . 71.43 111.037 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -95.88 23.28 6.46 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.089 -0.505 . . . . 74.45 111.829 -176.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 23' ' ' PRO . 77.1 mt -51.0 -47.07 61.63 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.395 0.517 . . . . 72.0 112.395 -176.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -83.59 -26.14 30.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.987 0.422 . . . . 71.32 111.015 -177.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -78.08 -34.48 50.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.62 -0.718 . . . . 72.11 111.271 -176.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 76.2 mtp -61.51 154.2 25.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.887 -0.597 . . . . 74.23 110.72 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.53 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 9.4 mptt -80.78 167.68 19.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.975 -0.557 . . . . 53.01 110.828 -175.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.532 HG22 ' HD3' ' A' ' 49' ' ' LYS . 59.4 t -53.9 -45.84 63.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.911 -0.586 . . . . 62.01 110.711 177.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' A' ' 36' ' ' GLN . . . -62.64 -43.07 99.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.887 -0.597 . . . . 63.14 111.042 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.53 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 11.5 mm-40 -61.01 -38.87 87.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.316 -0.402 . . . . 72.44 111.129 -178.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.0 mt -70.8 -36.47 73.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.097 -0.501 . . . . 72.5 110.719 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -72.84 -25.28 61.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.361 -0.381 . . . . 63.44 110.71 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 15.0 mm100 -63.03 -38.78 92.57 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.771 -0.455 . . . . 71.41 109.771 172.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -64.56 -48.38 75.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.795 -0.639 . . . . 54.01 110.329 175.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.489 HD11 HD22 ' A' ' 52' ' ' LEU . 96.0 mt -56.67 -50.3 72.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.94 -0.573 . . . . 61.35 111.515 -177.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -64.22 -26.04 68.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.462 -0.336 . . . . 51.21 111.402 -176.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.5 mt -86.83 -26.78 23.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.801 0.334 . . . . 60.05 111.321 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 41' ' ' ARG . 48.9 mtt180 -98.94 15.08 26.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.354 -0.384 . . . . 70.54 111.239 -175.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.5 m 65.5 31.36 10.2 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.317 0.579 . . . . 60.04 111.231 177.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.7 mt -105.94 149.48 38.1 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.614 -0.721 . . . . 53.44 110.528 -178.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -64.9 131.72 29.95 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.41 2.073 . . . . 61.35 111.767 176.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.1 m -89.24 4.5 5.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.885 0.374 . . . . 54.12 111.551 -177.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.4 m -81.57 120.66 25.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.218 -0.446 . . . . 70.44 110.247 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 156.33 164.64 13.6 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.488 -0.863 . . . . 52.51 112.597 178.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.718 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 25.7 p -91.34 173.71 7.77 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 122.257 0.223 . . . . 61.55 111.103 178.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.532 ' HD3' HG22 ' A' ' 31' ' ' VAL . 29.0 tptp -51.78 -46.29 64.1 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.04 0.536 . . . . 64.32 111.898 -174.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.2 m -65.7 -42.01 91.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.134 -0.485 . . . . 73.24 111.334 -178.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.51 -35.58 79.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 60.21 111.146 -175.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.718 ' HG ' ' O ' ' A' ' 48' ' ' THR . 55.7 mt -59.78 -42.63 93.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.001 -0.545 . . . . 73.23 110.359 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.3 mt -67.14 -45.37 86.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.887 -0.597 . . . . 74.23 110.898 -178.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.48 -38.09 89.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 74.44 110.62 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -63.96 -41.68 97.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.907 -0.588 . . . . 74.51 110.849 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 92.3 mt -64.25 -41.27 97.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.382 -0.372 . . . . 64.25 110.538 177.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -61.6 -52.7 63.32 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.918 -0.583 . . . . 53.24 110.932 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.86 -26.26 68.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.099 0.476 . . . . 75.22 111.443 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.408 ' CE2' ' HB3' ' A' ' 41' ' ' ARG . 73.7 t80 -71.23 -52.63 17.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.713 -0.676 . . . . 72.32 110.671 178.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.55 -40.41 96.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.389 0.614 . . . . 64.21 109.391 179.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -54.65 -47.49 73.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.156 -0.929 . . . . 74.44 111.994 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 . . . . . 0 C--N 1.33 -0.27 0 CA-C-O 120.622 0.249 . . . . 63.22 110.914 -176.565 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.478 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 80.8 mt . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.311 -0.255 . . . . 75.25 110.311 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -63.04 131.81 34.19 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.167 1.911 . . . . 75.04 110.808 171.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.42 9.23 1.8 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.899 0.38 . . . . 71.13 112.005 -176.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.438 ' HB3' ' HB2' ' A' ' 28' ' ' ASP . 17.6 m120 -125.48 46.41 2.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.455 -0.339 . . . . 72.1 110.876 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.91 -31.32 72.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.165 0.507 . . . . 54.02 109.885 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -66.43 -30.36 70.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.598 -0.728 . . . . 75.44 110.928 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.438 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 4.0 m-20 -79.39 -17.59 54.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.854 -0.612 . . . . 72.33 111.079 -179.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 86.6 mtp -83.73 160.13 21.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.074 -0.512 . . . . 75.24 110.788 -176.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.501 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 43.1 mttp -78.1 174.57 11.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.003 0.43 . . . . 72.53 110.316 178.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.497 HG12 ' HE3' ' A' ' 35' ' ' LYS . 61.3 t -65.88 -45.22 91.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.923 -0.581 . . . . 75.41 109.772 174.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.92 -36.92 84.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.918 -0.583 . . . . 50.23 111.114 178.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.501 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 81.0 mm-40 -60.24 -42.17 94.69 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.285 -0.416 . . . . 62.44 110.593 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.425 HD13 ' HB2' ' A' ' 52' ' ' LEU . 94.0 mt -67.14 -38.78 86.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.85 -0.614 . . . . 65.11 110.238 179.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.533 ' HA ' HD12 ' A' ' 38' ' ' LEU . 99.5 mttt -62.75 -35.6 80.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 71.31 110.698 177.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -63.36 -41.33 98.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.332 -0.394 . . . . 70.24 110.483 175.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -65.75 -32.46 74.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.068 -0.515 . . . . 71.21 110.944 176.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' ' 35' ' ' LYS . 72.8 mt -73.44 -52.11 14.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.952 -0.567 . . . . 72.45 111.502 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -63.13 -24.84 68.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.453 -0.34 . . . . 72.51 111.84 -174.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.4 mt -78.82 -14.75 59.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.758 0.313 . . . . 74.14 111.147 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 71.4 mtt85 -120.75 18.4 11.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.37 -0.377 . . . . 70.43 111.035 -177.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.1 t 65.79 26.07 11.29 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.787 -0.642 . . . . 73.12 111.432 176.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.439 ' HB3' HD22 ' A' ' 38' ' ' LEU . 40.5 mt -96.71 143.62 26.44 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 116.091 -0.504 . . . . 74.44 110.545 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.6 122.84 11.89 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.895 2.397 . . . . 71.11 112.272 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.0 m -85.72 21.51 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.78 -0.646 . . . . 70.45 111.833 -175.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.6 t -112.55 132.97 54.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.897 0.379 . . . . 72.32 110.184 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.08 178.18 23.89 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.853 -0.612 . . . . 34.31 111.628 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.658 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 33.7 p -87.27 171.93 10.26 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.423 0.154 . . . . 73.1 110.673 178.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.541 ' HE2' HD11 ' A' ' 53' ' ' ILE . 24.0 tptm -49.65 -48.42 49.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 45.23 110.657 175.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 p -64.89 -43.98 91.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.841 -0.618 . . . . 73.05 111.473 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -58.24 -47.64 82.9 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.807 0.299 . . . . 73.54 111.807 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' ' 48' ' ' THR . 36.1 mt -62.62 -42.72 99.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.604 -0.271 . . . . 74.24 110.769 -176.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.541 HD11 ' HE2' ' A' ' 49' ' ' LYS . 77.0 mt -62.3 -50.83 78.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 116.305 -0.407 . . . . 73.33 110.811 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.41 ' HA ' ' OE1' ' A' ' 54' ' ' GLU . 7.3 mm-40 -66.51 -35.27 79.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.942 -0.572 . . . . 73.13 111.296 -177.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.8 ttm-85 -66.89 -39.68 87.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.927 0.394 . . . . 72.45 110.429 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.4 ' HB3' HD13 ' A' ' 22' ' ' LEU . 58.1 mt -64.65 -50.86 65.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.966 -0.561 . . . . 62.23 110.217 173.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.429 ' HD3' HG22 ' A' ' 53' ' ' ILE . 4.5 mtp85 -59.65 -44.51 93.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.744 -0.662 . . . . 65.15 111.848 -177.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.62 -33.88 76.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.848 0.356 . . . . 64.23 111.292 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 71.6 t80 -70.99 -43.22 68.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.378 -0.374 . . . . 74.22 110.238 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.478 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 17.2 tm0? -70.73 -31.76 68.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.034 0.445 . . . . 74.43 110.042 -179.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -60.68 -46.63 89.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.864 -0.607 . . . . 73.23 111.509 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 . . . . . 0 C--N 1.33 -0.246 0 CA-C-O 120.831 0.348 . . . . 61.42 111.302 -177.371 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.438 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 73.3 mt . . . . . 0 C--O 1.235 0.335 0 CA-C-O 120.478 0.18 . . . . 52.44 110.601 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.65 157.04 56.64 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.372 2.048 . . . . 60.31 111.351 172.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.68 14.54 4.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.106 0.479 . . . . 43.34 111.332 -177.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.412 ' O ' ' HG3' ' A' ' 29' ' ' MET . 17.2 m120 -117.51 42.08 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.192 -0.458 . . . . 74.53 110.864 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.3 mt -65.8 -29.4 69.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.045 -0.525 . . . . 61.3 111.297 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -79.69 -23.46 42.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 72.23 110.845 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -80.49 -20.99 42.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 75.23 110.794 177.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.412 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 86.7 mtp -72.32 152.26 42.21 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.088 -0.506 . . . . 63.43 110.082 178.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.564 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 8.7 mptt -82.41 163.28 21.76 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.888 -0.412 . . . . 71.34 109.888 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.512 HG22 ' HB2' ' A' ' 49' ' ' LYS . 81.1 t -55.19 -45.52 77.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.845 0.355 . . . . 74.45 111.062 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.7 -36.85 85.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 63.32 111.227 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.564 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 6.2 mm-40 -66.88 -38.12 85.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.902 0.382 . . . . 72.33 110.373 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.9 mt -63.55 -40.95 98.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.009 -0.542 . . . . 74.32 110.306 177.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.444 ' HA ' HD12 ' A' ' 38' ' ' LEU . 99.0 mttt -63.31 -31.34 72.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.978 -0.555 . . . . 74.35 110.681 177.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.4 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 16.6 mm100 -64.31 -45.16 89.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.397 -0.365 . . . . 71.23 110.418 177.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.582 ' CD ' HH12 ' A' ' 41' ' ' ARG . 4.9 mm-40 -65.29 -31.02 71.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.449 -0.341 . . . . 73.51 111.003 178.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 35' ' ' LYS . 89.6 mt -70.6 -56.15 7.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.136 -0.484 . . . . 73.42 111.056 176.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -60.7 -26.91 67.48 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.398 -0.365 . . . . 73.21 111.788 -174.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 36' ' ' GLN . 97.2 mt -83.52 -16.87 43.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.834 0.35 . . . . 74.04 111.616 -178.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.582 HH12 ' CD ' ' A' ' 37' ' ' GLU . 77.5 mtt85 -110.53 20.69 17.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.677 -0.238 . . . . 72.1 111.039 -179.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.2 m 65.29 28.35 11.92 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.995 -0.548 . . . . 63.45 111.544 178.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.464 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 46.1 mt -102.31 141.36 22.37 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.924 -0.58 . . . . 72.34 110.597 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 43' ' ' LEU . 25.6 Cg_exo -63.98 138.64 63.6 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.882 2.388 . . . . 74.11 111.709 175.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.8 m -98.18 17.25 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.04 -0.527 . . . . 54.31 111.343 -176.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.2 p -89.39 121.93 32.11 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.237 -0.438 . . . . 73.41 111.314 -177.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 142.05 172.85 13.76 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.83 -0.7 . . . . 63.42 112.685 177.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.681 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 21.7 p -80.21 176.81 9.43 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.39 -0.226 . . . . 74.03 110.39 176.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.512 ' HB2' HG22 ' A' ' 31' ' ' VAL . 80.8 tttt -54.61 -51.69 64.56 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.465 0.174 . . . . 71.32 111.466 -176.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.0 m -59.15 -39.45 82.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 74.3 110.829 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -62.98 -40.34 97.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.01 -0.541 . . . . 73.03 110.932 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' A' ' 48' ' ' THR . 44.7 mt -65.02 -45.67 84.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.039 -0.528 . . . . 63.34 110.052 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.48 ' O ' ' HD3' ' A' ' 57' ' ' ARG . 69.7 mt -60.59 -47.55 92.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.847 -0.615 . . . . 72.42 110.65 178.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -61.01 -40.04 92.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 71.35 111.487 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.441 ' HD3' ' HD2' ' A' ' 44' ' ' PRO . 36.5 ttm-85 -67.37 -37.87 83.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.864 0.364 . . . . 75.2 110.252 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.438 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . 66.1 mt -61.34 -46.79 88.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.005 -0.543 . . . . 75.13 110.493 174.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.48 ' HD3' ' O ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -63.23 -37.76 88.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.414 . . . . 74.32 111.464 179.23 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.27 -33.69 76.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.071 0.462 . . . . 72.24 110.778 177.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.529 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 75.2 t80 -78.66 -46.08 19.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.123 -0.49 . . . . 73.3 110.572 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -65.04 -33.06 75.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.292 -0.413 . . . . 73.34 111.672 -178.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -64.88 -42.82 94.51 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.67 0.271 . . . . 63.01 111.182 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.529 ' HG2' ' O ' ' A' ' 59' ' ' TYR . 11.4 pt20 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.332 -0.394 . . . . 71.13 110.868 -177.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.547 HD13 ' HB3' ' A' ' 56' ' ' LEU . 89.8 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.885 -0.413 . . . . 62.12 109.885 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -74.72 157.22 44.11 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.271 1.98 . . . . 71.21 111.292 173.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.32 -14.96 61.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.67 0.747 . . . . 64.31 110.169 177.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.897 ' HB3' ' HB3' ' A' ' 28' ' ' ASP . 4.2 m-20 -93.44 41.34 1.08 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.352 -0.84 . . . . 74.34 111.646 -175.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.3 mt -63.56 -35.21 79.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 73.25 111.013 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -81.66 -21.14 38.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.228 0.537 . . . . 71.1 110.386 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.897 ' HB3' ' HB3' ' A' ' 25' ' ' ASN . 35.2 t70 -76.73 -24.54 53.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.65 -0.705 . . . . 73.55 109.433 177.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 85.8 mtp -79.24 153.86 29.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.515 -0.766 . . . . 71.51 109.835 173.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.464 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 44.9 mttp -86.55 176.69 7.69 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.883 0.373 . . . . 73.33 110.684 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.443 HG13 HD11 ' A' ' 52' ' ' LEU . 69.1 t -62.5 -36.09 73.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.768 -0.651 . . . . 64.11 110.453 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.99 -59.11 4.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.865 -0.607 . . . . 54.24 111.855 -177.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.405 ' OE1' ' HB2' ' A' ' 30' ' ' LYS . 1.0 OUTLIER -61.71 -29.31 70.02 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 112.002 0.371 . . . . 61.35 112.002 -179.257 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 65.3 mt -64.8 -41.02 96.14 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.77 -0.372 . . . . 75.3 110.328 175.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.514 ' HA ' HD12 ' A' ' 38' ' ' LEU . 98.4 mttt -70.31 -28.95 65.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 71.23 110.852 177.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -60.15 -44.46 94.95 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.494 -0.321 . . . . 73.52 110.401 177.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -60.33 -48.84 80.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.027 0.441 . . . . 74.21 110.409 174.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.548 ' HA ' ' HB2' ' A' ' 43' ' ' LEU . 76.1 mt -57.51 -51.77 68.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.84 -0.618 . . . . 54.04 111.746 -177.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.483 ' HB3' HG11 ' A' ' 45' ' ' VAL . 18.0 ptmt -70.97 -19.26 62.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.796 0.331 . . . . 72.24 111.768 -173.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 64.9 mt -87.01 -32.28 20.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.824 0.345 . . . . 70.21 111.187 176.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -103.87 24.92 10.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.319 -0.4 . . . . 60.5 111.573 -172.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.1 t 63.62 39.0 9.14 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.562 0.696 . . . . 61.34 111.174 173.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.548 ' HB2' ' HA ' ' A' ' 38' ' ' LEU . 40.9 mt -116.51 146.22 37.01 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.814 -0.63 . . . . 74.12 110.605 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.551 ' HD2' ' HD3' ' A' ' 55' ' ' ARG . 30.7 Cg_exo -62.62 120.86 8.57 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.704 2.269 . . . . 65.01 111.984 175.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.543 HG12 ' HB2' ' A' ' 38' ' ' LEU . 33.4 m -83.66 -13.7 11.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.309 -0.405 . . . . 55.54 111.446 -178.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.6 p -71.68 130.56 41.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.21 -0.45 . . . . 42.03 110.768 -178.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 142.5 167.36 11.38 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.984 -0.627 . . . . 73.12 112.027 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.686 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 12.7 p -87.38 -178.12 6.09 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 122.175 0.19 . . . . 64.3 110.989 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.523 ' HE2' HD11 ' A' ' 53' ' ' ILE . 24.3 tptm -53.63 -47.38 70.33 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.508 -0.315 . . . . 61.42 110.968 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.4 m -60.91 -44.55 97.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.062 -0.517 . . . . 75.1 110.864 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -59.51 -47.91 83.68 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.076 -0.511 . . . . 60.11 110.971 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' A' ' 48' ' ' THR . 49.7 mt -58.4 -47.32 84.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.876 -0.602 . . . . 70.33 110.712 -177.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.523 HD11 ' HE2' ' A' ' 49' ' ' LYS . 81.7 mt -60.3 -51.56 71.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.978 -0.555 . . . . 65.41 111.104 -179.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -65.38 -40.4 93.48 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.76 0.281 . . . . 74.34 111.76 -177.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.551 ' HD3' ' HD2' ' A' ' 44' ' ' PRO . 36.0 ttm180 -62.69 -40.74 98.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.852 0.358 . . . . 72.24 110.554 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.547 ' HB3' HD13 ' A' ' 22' ' ' LEU . 65.2 mt -64.52 -45.24 88.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.106 -0.497 . . . . 65.11 110.702 175.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -58.18 -44.34 87.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 73.2 111.275 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.89 -37.56 81.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.357 -0.383 . . . . 62.15 110.972 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.411 ' CD2' HD11 ' A' ' 43' ' ' LEU . 48.3 t80 -67.95 -50.42 56.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 62.33 111.588 -179.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.5 -29.1 68.44 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.046 -0.262 . . . . 71.51 110.931 -176.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -55.14 -41.15 71.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.997 0.427 . . . . 62.44 110.881 178.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 115.676 -0.693 . . . . 64.31 110.665 -179.126 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.3 mt . . . . . 0 C--O 1.234 0.239 0 CA-C-O 120.707 0.289 . . . . 75.02 111.167 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.464 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 60.7 Cg_endo -75.88 151.3 35.52 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.568 2.178 . . . . 64.35 111.304 172.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.55 18.72 1.43 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.094 0.473 . . . . 70.33 111.146 -178.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.441 ' HB3' ' HB2' ' A' ' 28' ' ' ASP . 20.7 m120 -123.07 33.6 5.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.214 -0.448 . . . . 72.24 110.339 178.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 23' ' ' PRO . 90.9 mt -61.47 -28.93 69.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 60.05 111.279 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -81.69 -24.71 36.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.982 0.42 . . . . 65.4 110.38 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.441 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 6.6 m-20 -69.48 -28.2 65.86 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.504 -0.554 . . . . 75.34 109.504 173.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 88.1 mtp -73.78 155.76 38.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.475 -0.784 . . . . 73.21 110.261 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.483 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 50.5 mttp -78.52 168.81 19.23 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.236 -0.438 . . . . 72.44 111.179 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.5 t -64.71 -43.27 96.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.015 -0.539 . . . . 72.32 110.36 177.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.73 -38.08 86.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.985 -0.552 . . . . 74.4 110.594 177.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.483 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 9.2 mm-40 -56.76 -50.2 72.97 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.763 -0.653 . . . . 63.52 110.741 176.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.97 -43.9 98.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.686 -0.688 . . . . 71.23 110.589 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.512 ' HE2' ' O ' ' A' ' 45' ' ' VAL . 93.3 mttt -61.43 -40.92 96.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.113 -0.494 . . . . 72.02 111.479 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -60.43 -46.81 88.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.724 0.297 . . . . 65.03 110.322 177.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -63.58 -33.51 75.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.185 -0.461 . . . . 73.34 111.255 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.435 ' HB2' HG12 ' A' ' 45' ' ' VAL . 71.2 mt -68.4 -58.19 4.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 71.14 111.063 177.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.47 ' HE2' HG11 ' A' ' 45' ' ' VAL . 18.3 ptpt -64.46 -26.09 68.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.496 -0.32 . . . . 75.52 111.697 -173.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.7 mt -80.85 -10.76 59.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.71 0.29 . . . . 60.22 111.176 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 75.0 mtt85 -115.23 18.34 16.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.32 -0.4 . . . . 71.24 110.825 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t 71.41 16.83 5.94 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.689 0.618 . . . . 71.2 111.549 176.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.9 mt -94.74 144.85 28.56 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.231 -0.44 . . . . 62.01 110.967 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.542 ' HG2' ' HD3' ' A' ' 55' ' ' ARG . 28.8 Cg_endo -64.59 140.07 66.92 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.404 2.07 . . . . 64.2 111.558 174.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.512 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 23.4 m -101.27 0.25 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 112.011 0.374 . . . . 61.34 112.011 -175.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.1 m -82.41 128.44 34.25 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.899 0.38 . . . . 54.14 111.134 -178.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.08 172.57 18.93 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.017 -0.611 . . . . 72.35 111.695 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.578 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 28.8 p -85.75 179.98 6.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 117.017 0.408 . . . . 74.05 111.065 178.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -53.15 -55.03 27.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 71.14 111.776 -176.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.0 m -65.36 -37.87 88.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.542 -0.299 . . . . 65.14 111.284 -177.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -63.98 -41.68 97.46 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.488 -0.324 . . . . 75.34 111.35 -178.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 48' ' ' THR . 73.1 mt -63.8 -41.67 97.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.96 0.409 . . . . 73.52 110.5 179.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.435 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 75.9 mt -61.37 -48.48 88.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.848 -0.614 . . . . 74.21 110.315 176.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.43 ' OE1' ' HD3' ' A' ' 57' ' ' ARG . 2.0 tp10 -62.07 -40.5 96.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.732 -0.667 . . . . 73.34 111.082 -177.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.542 ' HD3' ' HG2' ' A' ' 44' ' ' PRO . 37.8 ttm180 -62.68 -41.91 99.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.814 -0.63 . . . . 74.25 110.616 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.9 mt -61.79 -44.16 97.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.073 -0.512 . . . . 71.41 110.337 174.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 84.0 mtp180 -60.21 -45.1 94.34 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.968 -0.56 . . . . 70.14 111.146 -179.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.84 -47.14 86.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.835 0.35 . . . . 41.43 110.775 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -61.39 -43.77 98.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.854 -0.612 . . . . 52.3 111.018 -179.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -71.48 -41.85 68.82 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.978 -0.556 . . . . 61.42 111.323 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -65.48 -39.9 92.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.267 -0.424 . . . . 54.41 111.758 -174.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 . . . . . 0 C--N 1.329 -0.31 0 N-CA-C 111.743 0.275 . . . . 71.41 111.743 -175.645 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.6 mt . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.848 -0.427 . . . . 72.41 109.848 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.87 164.5 16.28 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.473 2.116 . . . . 71.23 111.889 174.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.23 4.64 53.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.217 0.532 . . . . 72.53 110.551 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -120.61 42.38 3.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.813 -0.63 . . . . 71.13 110.993 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.8 mt -67.43 -29.15 68.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.4 0.619 . . . . 71.55 109.422 176.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.47 -29.69 70.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.154 -0.93 . . . . 72.43 110.445 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -77.38 -26.92 52.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.619 -0.719 . . . . 63.42 110.909 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 88.2 mtp -74.46 160.26 31.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.886 -0.597 . . . . 74.31 110.963 -176.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.53 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 37.7 mttp -95.38 177.18 5.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.097 -0.501 . . . . 73.13 110.576 -178.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.434 HG13 HD11 ' A' ' 52' ' ' LEU . 84.5 t -63.05 -46.0 97.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.858 -0.61 . . . . 63.44 110.517 177.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.17 -37.88 86.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.875 -0.602 . . . . 73.01 111.194 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.53 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 5.0 mm-40 -66.61 -44.9 80.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 52.24 109.976 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 96.9 mt -66.17 -29.65 69.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.767 -0.652 . . . . 64.44 111.243 -177.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.548 ' HG2' ' HB ' ' A' ' 45' ' ' VAL . 93.0 mttt -58.91 -33.53 70.65 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.527 -0.306 . . . . 71.23 111.507 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -66.91 -42.77 84.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.649 -0.25 . . . . 72.12 110.938 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -67.56 -32.05 72.55 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.032 0.444 . . . . 74.34 110.61 178.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.514 HD13 ' HA ' ' A' ' 45' ' ' VAL . 78.9 mt -71.51 -52.79 16.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.941 -0.572 . . . . 74.04 111.094 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -60.76 -32.34 71.65 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.656 0.265 . . . . 72.22 111.706 -175.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.3 mt -76.07 -12.96 60.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.859 0.361 . . . . 62.42 111.378 -178.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 54.3 mtt-85 -117.57 15.35 14.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.264 -0.425 . . . . 73.02 110.682 -178.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.1 t 65.34 26.16 12.07 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.608 -0.723 . . . . 74.25 110.882 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.421 HD22 ' HG2' ' A' ' 55' ' ' ARG . 47.0 mt -93.8 145.58 30.14 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.022 -0.535 . . . . 73.54 111.287 -178.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -64.44 128.86 22.32 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.826 2.351 . . . . 72.43 112.067 176.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.548 ' HB ' ' HG2' ' A' ' 35' ' ' LYS . 27.2 m -93.17 1.35 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.908 -0.587 . . . . 73.13 111.242 -176.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.5 p -96.71 136.35 37.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.958 -0.564 . . . . 53.42 110.986 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 138.63 177.84 15.71 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 116.003 -0.544 . . . . 74.54 111.965 178.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.565 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 51.7 p -73.34 160.63 31.53 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.543 0.171 . . . . 73.14 110.616 178.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.537 ' HE2' HD11 ' A' ' 53' ' ' ILE . 87.3 tttt -56.67 -38.83 72.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.778 0.323 . . . . 72.3 110.387 178.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.2 m -56.22 -48.84 75.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.873 -0.603 . . . . 54.43 110.328 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -58.58 -48.65 80.24 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 115.851 -0.613 . . . . 72.42 110.727 177.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 48' ' ' THR . 49.8 mt -56.72 -51.69 67.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.348 -0.387 . . . . 75.11 111.375 -176.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.537 HD11 ' HE2' ' A' ' 49' ' ' LYS . 71.1 mt -62.69 -51.1 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.016 0.436 . . . . 74.14 110.991 -178.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -66.64 -33.08 74.85 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.112 -0.495 . . . . 74.5 111.656 -176.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.421 ' HG2' HD22 ' A' ' 43' ' ' LEU . 38.3 ttm180 -67.57 -40.07 84.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.293 -0.412 . . . . 64.14 110.16 178.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.3 mt -64.0 -46.73 83.21 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.942 -0.572 . . . . 51.42 110.5 174.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -55.67 -55.61 30.19 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 115.923 -0.58 . . . . 71.32 110.546 178.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.62 -35.68 74.82 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.349 0.406 . . . . 63.22 111.674 -177.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -68.05 -46.23 71.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.482 -0.326 . . . . 71.23 110.908 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 18.1 tm0? -79.49 -29.35 41.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.424 -0.353 . . . . 74.33 110.809 -176.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -61.18 -46.64 89.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.119 -0.491 . . . . 74.41 111.116 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.095 -0.502 . . . . 72.45 112.028 -176.204 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.569 HD13 ' HB3' ' A' ' 56' ' ' LEU . 73.8 mt . . . . . 0 C--O 1.233 0.219 0 N-CA-C 109.809 -0.441 . . . . 72.45 109.809 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.465 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 30.3 Cg_endo -64.88 136.48 49.09 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.365 2.043 . . . . 72.2 111.464 174.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.56 -24.73 66.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.962 0.411 . . . . 75.12 111.69 -179.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.555 ' HB3' ' HB2' ' A' ' 28' ' ' ASP . 18.8 m120 -83.68 53.51 2.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.362 -0.381 . . . . 74.13 111.547 -177.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 23' ' ' PRO . 79.9 mt -74.14 -20.43 60.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.351 -0.386 . . . . 74.4 111.666 -178.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -88.77 -27.5 21.1 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.406 -0.518 . . . . 61.41 110.104 178.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.555 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 11.6 m-20 -69.72 -25.44 63.85 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.486 -0.561 . . . . 72.31 109.486 173.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.409 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 86.8 mmm -69.19 141.75 54.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.472 -0.785 . . . . 71.1 109.932 172.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.544 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 73.7 mttt -76.95 167.49 21.74 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.159 -0.473 . . . . 62.42 110.332 -177.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.6 t -62.8 -47.62 92.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.932 0.396 . . . . 74.31 110.545 -178.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.36 -35.7 81.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.899 -0.591 . . . . 62.45 111.079 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.544 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 5.0 mm-40 -69.13 -38.01 78.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.019 -0.537 . . . . 62.42 110.601 -178.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 96.7 mt -63.61 -41.46 98.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.154 0.502 . . . . 75.03 110.069 175.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.567 ' HA ' HD12 ' A' ' 38' ' ' LEU . 99.4 mttt -68.6 -22.29 64.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.723 -0.672 . . . . 62.34 111.398 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -68.72 -40.03 80.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.836 0.351 . . . . 65.33 110.279 175.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -74.13 -36.54 64.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.293 -0.412 . . . . 64.1 110.096 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.567 HD12 ' HA ' ' A' ' 35' ' ' LYS . 91.5 mt -58.7 -54.26 49.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.799 -0.637 . . . . 62.55 111.202 178.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 12.5 ptpt -60.16 -33.91 72.84 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.746 0.308 . . . . 71.42 111.743 -176.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.9 mt -77.05 -24.52 51.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.593 -0.276 . . . . 70.04 111.392 -176.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -108.4 22.97 15.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.598 -0.274 . . . . 71.24 111.298 -176.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.9 m 64.28 33.27 11.68 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.026 -0.534 . . . . 53.01 111.716 175.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.412 ' HB3' HD22 ' A' ' 38' ' ' LEU . 46.1 mt -109.92 142.58 26.16 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.113 -0.494 . . . . 73.15 110.663 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.425 ' HD2' ' HD3' ' A' ' 55' ' ' ARG . 17.1 Cg_exo -68.02 152.49 76.66 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.004 2.469 . . . . 73.12 111.93 177.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.537 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 35.3 m -106.93 2.21 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.083 -0.508 . . . . 72.44 111.48 -175.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.8 t -83.64 146.09 28.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.32 -0.4 . . . . 73.12 110.699 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.1 175.42 14.38 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 116.057 -0.519 . . . . 60.24 111.807 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.572 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 26.9 p -81.27 167.92 19.03 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.169 -0.308 . . . . 71.42 110.169 176.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.467 ' O ' HG13 ' A' ' 53' ' ' ILE . 64.5 tttm -58.05 -43.86 87.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.749 0.309 . . . . 73.32 110.656 -178.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.7 m -58.41 -45.02 89.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 74.12 110.906 179.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -65.57 -40.14 92.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 74.4 111.1 -178.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 48' ' ' THR . 81.0 mt -60.09 -42.6 94.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.932 0.396 . . . . 71.55 110.05 177.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 49' ' ' LYS . 87.4 mt -61.71 -50.08 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.64 -0.709 . . . . 74.13 110.757 178.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 57' ' ' ARG . 42.6 mt-10 -70.18 -30.33 67.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.337 -0.392 . . . . 65.23 111.478 -177.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.425 ' HD3' ' HD2' ' A' ' 44' ' ' PRO . 48.6 ttm-85 -61.6 -46.36 90.17 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.423 -0.584 . . . . 73.12 109.423 175.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.569 ' HB3' HD13 ' A' ' 22' ' ' LEU . 68.4 mt -58.49 -48.77 79.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.756 -0.656 . . . . 75.2 110.732 175.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.418 ' HD3' ' HA ' ' A' ' 54' ' ' GLU . 79.1 mtp180 -55.84 -51.8 66.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.724 -0.671 . . . . 73.04 111.293 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.93 -44.16 93.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.961 -0.563 . . . . 44.55 111.409 -177.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -65.72 -43.04 90.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.394 -0.366 . . . . 75.52 111.269 -177.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.546 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 23.4 tm0? -68.46 -37.87 80.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.832 0.349 . . . . 75.02 110.722 -178.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -68.16 -29.05 67.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.462 -0.336 . . . . 65.11 110.887 -175.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 . . . . . 0 C--O 1.233 0.231 0 CA-C-O 120.686 0.279 . . . . 73.44 111.209 178.674 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.548 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 67.8 mt . . . . . 0 C--O 1.234 0.237 0 N-CA-C 110.28 -0.267 . . . . 71.32 110.28 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -71.54 150.27 57.1 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.399 2.066 . . . . 75.24 110.91 168.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.72 13.85 9.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.878 0.37 . . . . 54.23 111.528 -175.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.44 ' HB3' ' HB3' ' A' ' 28' ' ' ASP . 14.9 m120 -124.19 42.37 3.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.289 -0.414 . . . . 74.54 110.528 -176.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.9 mt -58.63 -35.29 72.25 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.383 0.512 . . . . 75.11 112.383 -175.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -82.31 -18.94 40.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.002 0.429 . . . . 61.11 110.923 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.44 ' HB3' ' HB3' ' A' ' 25' ' ' ASN . 11.7 t70 -80.98 -14.42 57.97 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.688 0.756 . . . . 72.52 109.349 177.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 81.0 mtp -84.94 166.28 16.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.778 -1.101 . . . . 62.11 109.737 175.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.567 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 58.2 mttp -83.37 172.43 12.5 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.845 0.355 . . . . 75.12 110.557 -177.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.508 HG12 ' HE3' ' A' ' 35' ' ' LYS . 45.5 t -69.06 -38.47 78.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.075 0.464 . . . . 70.35 110.045 179.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.85 -36.8 85.12 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.755 -0.657 . . . . 73.24 110.523 177.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.567 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 56.5 mm-40 -60.25 -49.8 76.18 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.934 -0.575 . . . . 63.54 110.464 178.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.7 mt -59.95 -41.54 92.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.997 -0.547 . . . . 61.23 111.259 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.508 ' HE3' HG12 ' A' ' 31' ' ' VAL . 95.7 mttt -60.01 -41.0 91.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 72.52 110.683 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -64.03 -47.14 81.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 74.14 110.72 176.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.413 ' HA ' ' OE1' ' A' ' 37' ' ' GLU . 6.7 mm-40 -57.52 -36.05 71.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 52.15 110.962 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.436 ' CD1' HD22 ' A' ' 52' ' ' LEU . 81.6 mt -69.44 -58.67 3.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.052 -0.522 . . . . 54.3 111.469 178.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -66.76 -26.91 67.2 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.152 0.427 . . . . 74.01 112.152 -172.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.3 mt -71.72 -12.32 61.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.819 0.342 . . . . 43.33 110.702 177.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 80.1 mtt85 -122.56 22.91 9.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 74.51 110.848 -178.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.8 m 61.81 38.57 14.69 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.735 -0.666 . . . . 71.14 111.72 176.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.439 HD21 ' HB2' ' A' ' 59' ' ' TYR . 43.6 mt -111.78 145.63 33.08 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.168 -0.469 . . . . 74.54 110.993 178.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.3 142.2 49.31 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.785 2.323 . . . . 74.11 111.914 176.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.1 m -101.81 9.7 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.252 -0.431 . . . . 70.14 111.199 -176.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.0 m -81.7 108.26 15.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.194 -0.457 . . . . 73.44 110.944 -179.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 165.91 -172.53 41.34 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.831 -0.7 . . . . 55.12 112.453 178.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.68 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 27.9 p -97.49 -176.55 3.53 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.171 -0.307 . . . . 72.14 110.171 176.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.437 ' O ' HG13 ' A' ' 53' ' ' ILE . 23.5 tptm -54.6 -46.96 73.9 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.97 0.414 . . . . 72.12 110.335 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.8 m -70.29 -40.81 74.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.825 -0.625 . . . . 71.33 111.431 -177.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -59.61 -43.06 93.89 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.61 -0.268 . . . . 75.33 111.091 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.68 ' HG ' ' O ' ' A' ' 48' ' ' THR . 52.1 mt -65.4 -41.68 93.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 63.33 110.866 -177.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 49' ' ' LYS . 89.1 mt -60.17 -53.51 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.062 -0.517 . . . . 73.41 110.764 179.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.476 ' OE1' ' HD3' ' A' ' 57' ' ' ARG . 6.8 mm-40 -68.36 -28.42 67.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.752 -0.658 . . . . 71.04 111.335 -176.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.423 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -61.55 -43.94 97.95 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.122 0.487 . . . . 63.02 109.968 177.667 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.459 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . 65.6 mt -61.73 -46.42 89.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.539 -0.755 . . . . 70.4 110.874 177.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.476 ' HD3' ' OE1' ' A' ' 54' ' ' GLU . 69.7 mtp180 -68.34 -31.75 71.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.706 -0.679 . . . . 73.4 111.213 -175.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.11 -40.8 74.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.847 0.356 . . . . 62.15 110.783 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.439 ' HB2' HD21 ' A' ' 43' ' ' LEU . 54.6 t80 -69.91 -51.06 36.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.066 -0.516 . . . . 73.02 111.021 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.548 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 10.7 mm100 -57.92 -34.55 69.98 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.374 0.509 . . . . 62.15 112.374 -176.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -68.18 -44.81 75.06 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.816 0.341 . . . . 73.35 111.279 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 . . . . . 0 C--N 1.327 -0.371 0 N-CA-C 111.956 0.354 . . . . 45.33 111.956 -174.2 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 C--O 1.233 0.198 0 N-CA-C 110.488 -0.19 . . . . 72.11 110.488 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.15 169.8 21.61 Favored 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 122.372 2.048 . . . . 54.21 111.332 172.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.21 -17.46 29.03 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.898 0.38 . . . . 75.23 111.096 -177.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.476 ' HB3' ' HB3' ' A' ' 28' ' ' ASP . 3.2 m-20 -90.93 33.46 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.132 -0.486 . . . . 73.33 111.645 -173.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.5 mt -59.03 -36.54 75.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.841 0.353 . . . . 70.24 111.766 -177.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -84.83 -15.93 43.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.809 0.338 . . . . 74.55 110.922 -177.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.476 ' HB3' ' HB3' ' A' ' 25' ' ' ASN . 13.5 t70 -84.14 -35.75 23.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.965 -0.561 . . . . 73.11 110.307 178.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.411 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 81.9 mtp -62.42 157.46 19.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.434 -0.803 . . . . 71.14 110.906 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.52 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 38.6 mttp -72.49 178.73 3.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.137 0.494 . . . . 72.33 110.757 179.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.0 t -70.17 -44.54 77.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.802 -0.635 . . . . 74.03 109.599 176.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.577 ' O ' ' HG2' ' A' ' 36' ' ' GLN . . . -64.07 -34.65 78.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.866 -0.606 . . . . 71.14 110.974 178.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.52 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 69.6 mm-40 -61.88 -41.66 98.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.867 0.365 . . . . 62.2 110.707 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.3 mt -67.35 -38.57 85.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 63.15 110.173 178.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.595 ' HE2' ' O ' ' A' ' 45' ' ' VAL . 97.8 mttt -63.06 -30.34 71.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.844 -0.616 . . . . 61.24 110.972 177.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.577 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 17.8 mm100 -60.89 -48.05 83.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.359 -0.382 . . . . 75.44 110.112 177.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -62.96 -43.5 98.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 64.11 110.548 178.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 35' ' ' LYS . 89.3 mt -57.12 -57.07 14.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.658 -0.701 . . . . 65.1 111.476 -179.281 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -65.3 -32.87 74.75 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.622 0.23 . . . . 73.22 111.622 -174.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 36' ' ' GLN . 85.6 mt -71.93 -28.34 63.41 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.625 0.25 . . . . 74.1 111.156 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -103.84 14.27 31.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.604 -0.271 . . . . 72.04 110.82 -178.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.1 m 63.56 73.07 0.46 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.32 0.581 . . . . 65.1 111.429 179.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.454 HD13 HD23 ' A' ' 38' ' ' LEU . 22.5 mt -143.05 156.61 61.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.59 -0.732 . . . . 74.21 110.197 -178.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -66.57 128.8 19.81 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.575 2.183 . . . . 42.23 111.69 175.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.595 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 29.0 m -99.47 -7.22 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.439 -0.346 . . . . 61.44 111.316 -175.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.3 t -76.57 129.62 36.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.806 0.336 . . . . 72.52 110.261 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 150.95 -163.94 29.86 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.873 -0.679 . . . . 60.54 112.41 178.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.664 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 19.5 p -115.45 174.98 5.72 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 122.2 0.2 . . . . 65.15 110.519 179.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.523 ' HE2' HD11 ' A' ' 53' ' ' ILE . 24.1 tptm -48.66 -56.36 8.71 Favored 'General case' 0 C--N 1.331 -0.237 0 O-C-N 123.459 0.474 . . . . 72.24 111.242 178.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.9 m -62.73 -38.5 90.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.194 -0.457 . . . . 72.23 111.373 -177.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.463 ' HB2' ' H ' ' A' ' 48' ' ' THR . 1.0 OUTLIER -59.55 -47.18 86.56 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.353 -0.385 . . . . 50.31 110.714 178.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' A' ' 48' ' ' THR . 34.2 mt -69.22 -38.35 78.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.958 -0.564 . . . . 53.12 111.31 -175.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.523 HD11 ' HE2' ' A' ' 49' ' ' LYS . 81.9 mt -57.76 -52.77 53.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.859 0.361 . . . . 75.4 110.735 179.002 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -63.63 -36.73 84.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.936 -0.574 . . . . 71.52 110.835 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 45.9 ttm-85 -65.51 -40.5 93.06 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.032 -0.531 . . . . 74.41 110.907 -178.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.44 -41.96 96.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.762 0.315 . . . . 54.14 110.658 176.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 83.5 mtp180 -59.96 -46.5 89.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.51 . . . . 64.34 110.636 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.87 -41.28 95.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 74.21 110.829 179.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.5 ' O ' ' HG2' ' A' ' 62' ' ' GLN . 34.7 t80 -61.78 -51.59 67.69 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.835 -0.62 . . . . 74.43 111.528 -179.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -65.64 -30.74 71.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.999 0.428 . . . . 72.44 111.055 -176.608 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -71.54 -43.64 66.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.352 -0.386 . . . . 52.12 111.106 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 59' ' ' TYR . 13.6 pt20 . . . . . 0 C--N 1.334 -0.107 0 CA-C-O 120.783 0.325 . . . . 73.01 110.507 -179.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.548 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 82.1 mt . . . . . 0 N--CA 1.455 -0.21 0 N-CA-C 109.904 -0.406 . . . . 73.11 109.904 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.476 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 37.8 Cg_endo -68.64 126.93 14.72 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.865 1.71 . . . . 70.34 110.608 173.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.59 -23.9 63.32 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.91 0.386 . . . . 54.34 111.618 -176.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.454 ' HB3' ' HB2' ' A' ' 28' ' ' ASP . 16.4 m120 -84.24 45.45 1.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.948 -0.569 . . . . 75.14 111.62 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.563 ' HB2' HG23 ' A' ' 53' ' ' ILE . 95.4 mt -64.21 -25.63 68.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.433 0.635 . . . . 70.35 110.192 176.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -75.71 -25.34 56.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.57 -0.741 . . . . 73.14 110.548 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.454 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 4.7 m-20 -83.96 -7.57 59.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.178 0.513 . . . . 74.14 110.303 177.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 86.6 mtp -92.01 172.66 8.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.708 -0.678 . . . . 73.21 110.159 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.565 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 15.0 mtpp -93.48 155.46 17.33 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.399 -0.364 . . . . 54.55 110.517 -177.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.8 t -58.12 -44.24 87.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 53.44 111.163 -178.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.38 -36.35 83.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.439 -0.346 . . . . 74.42 111.046 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.565 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 7.4 mm-40 -65.63 -39.99 92.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 53.31 110.497 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.8 mt -64.32 -43.27 95.19 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.716 -0.674 . . . . 71.05 109.86 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.573 ' HA ' HD12 ' A' ' 38' ' ' LEU . 92.0 mttt -66.01 -23.09 66.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.55 -0.75 . . . . 74.51 111.71 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.414 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 10.0 mm100 -60.37 -57.33 13.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.484 0.183 . . . . 34.34 110.537 176.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -66.28 -28.85 69.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.387 -0.369 . . . . 63.34 110.591 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.573 HD12 ' HA ' ' A' ' 35' ' ' LYS . 75.7 mt -64.47 -59.42 4.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.025 -0.534 . . . . 74.31 110.945 175.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -63.23 -32.47 73.89 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.663 -0.244 . . . . 70.23 111.479 -174.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 36' ' ' GLN . 89.5 mt -66.16 -30.81 71.36 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.846 0.355 . . . . 75.3 110.872 178.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 81.9 mtt-85 -100.42 11.13 40.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.356 -0.384 . . . . 75.45 110.541 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.3 m 62.02 26.19 15.78 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.386 0.612 . . . . 74.23 111.321 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.452 HD13 HD23 ' A' ' 38' ' ' LEU . 30.2 mt -79.09 155.04 77.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.543 -0.753 . . . . 73.32 110.566 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -69.98 112.86 3.23 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.612 2.208 . . . . 71.12 112.213 178.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.1 m -85.25 -3.64 8.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.981 -0.554 . . . . 64.52 110.173 176.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.0 m -70.75 135.59 48.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.434 -0.803 . . . . 42.43 110.772 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.5 -170.58 15.25 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.647 -0.787 . . . . 63.31 111.941 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.534 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 65.2 p -94.23 169.39 10.27 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.617 0.246 . . . . 61.25 110.963 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.427 ' O ' HG13 ' A' ' 53' ' ' ILE . 87.2 tttt -54.81 -41.79 71.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.003 -0.544 . . . . 63.32 110.935 178.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.8 m -57.94 -40.92 81.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.089 0.471 . . . . 62.43 110.782 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.8 -46.21 72.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.949 -0.569 . . . . 45.22 111.015 178.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 48' ' ' THR . 58.5 mt -58.46 -42.01 86.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.0 -0.545 . . . . 51.24 111.106 -176.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.563 HG23 ' HB2' ' A' ' 26' ' ' LEU . 84.4 mt -61.01 -53.98 41.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.072 -0.513 . . . . 73.31 110.81 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -67.04 -34.06 76.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.95 -0.568 . . . . 75.24 111.308 -177.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -63.41 -46.87 84.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.863 0.363 . . . . 75.44 110.359 178.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.512 ' HB3' HD13 ' A' ' 22' ' ' LEU . 40.6 mt -59.65 -45.05 93.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.988 -0.551 . . . . 74.13 110.511 175.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -60.67 -51.17 70.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.99 -0.55 . . . . 65.41 111.586 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.25 -31.72 71.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.988 0.423 . . . . 74.32 111.452 -178.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -76.14 -46.39 28.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.158 -0.474 . . . . 75.55 110.741 179.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.548 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 1.1 tm0? -72.58 -34.99 67.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.741 -0.209 . . . . 60.52 111.248 -176.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -60.46 -39.12 86.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.359 -0.382 . . . . 64.14 111.148 -177.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.397 -0.365 . . . . 64.52 111.198 -178.747 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.582 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 71.9 mt . . . . . 0 C--O 1.235 0.339 0 CA-C-O 120.594 0.235 . . . . 74.34 110.983 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.628 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 41.8 Cg_endo -69.2 139.88 43.33 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.222 1.948 . . . . 73.33 110.895 171.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.69 4.45 4.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.915 0.388 . . . . 54.53 111.888 -176.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -105.8 16.9 24.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.46 -0.336 . . . . 74.52 111.005 -177.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 23' ' ' PRO . 86.3 mt -53.38 -45.2 69.16 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.373 -0.376 . . . . 63.03 111.776 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -64.85 -26.83 68.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 70.22 111.433 -177.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -86.53 -32.17 20.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.108 -0.496 . . . . 74.0 111.538 -176.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 55.3 mtm -67.35 161.21 25.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.25 0.547 . . . . 74.03 111.741 -175.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.563 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 0.3 OUTLIER -81.61 162.75 22.98 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.371 -0.831 . . . . 74.51 110.381 -178.112 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.2 t -55.3 -40.73 58.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 73.45 111.045 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.49 -35.73 81.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 62.12 111.398 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.563 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 2.3 mm-40 -68.15 -41.54 81.43 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.354 -0.61 . . . . 64.13 109.354 -179.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.81 -44.24 97.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.324 -0.853 . . . . 64.52 110.62 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.555 ' HE2' ' O ' ' A' ' 45' ' ' VAL . 95.5 mttt -63.88 -29.53 70.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.05 -0.523 . . . . 73.15 110.974 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.445 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 12.1 mm100 -63.75 -41.66 97.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.481 -0.327 . . . . 74.41 110.756 176.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.561 ' HB3' ' NH1' ' A' ' 41' ' ' ARG . 27.1 mt-10 -73.96 -41.27 62.23 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.946 -0.302 . . . . 74.44 111.032 178.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.551 HD13 ' HA ' ' A' ' 45' ' ' VAL . 58.5 mt -54.07 -54.04 44.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 73.44 111.299 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -60.78 -30.75 70.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.462 -0.335 . . . . 71.01 111.406 -177.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 36' ' ' GLN . 92.6 mt -78.46 -27.07 46.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.521 -0.308 . . . . 71.15 110.955 -179.119 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.568 HH11 HD22 ' A' ' 56' ' ' LEU . 63.8 mtt180 -99.05 16.87 21.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.398 -0.365 . . . . 74.41 111.075 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.8 t 65.67 30.7 10.24 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.268 0.556 . . . . 70.41 111.012 175.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.426 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 20.9 mt -108.85 148.13 37.22 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.779 -0.646 . . . . 62.42 111.013 -178.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 43' ' ' LEU . 33.5 Cg_exo -62.31 141.65 88.29 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.849 2.366 . . . . 73.2 111.544 174.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.555 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 34.3 m -103.19 -19.94 5.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.204 -0.453 . . . . 72.24 111.427 -174.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.4 m -78.44 107.06 10.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.201 0.524 . . . . 73.11 111.582 -177.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 177.24 -172.89 45.77 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 111.247 -0.741 . . . . 52.04 111.247 178.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.65 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 71.7 p -90.5 159.14 16.66 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.917 -0.401 . . . . 71.31 109.917 177.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -50.21 -46.54 54.65 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 123.415 0.447 . . . . 74.21 111.637 -177.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.3 m -61.55 -50.1 74.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.604 -0.271 . . . . 75.31 111.171 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -61.54 -38.46 87.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.61 -0.268 . . . . 73.22 111.256 -177.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' A' ' 48' ' ' THR . 58.1 mt -61.15 -47.06 87.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.762 0.315 . . . . 51.22 110.539 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.459 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 84.9 mt -63.04 -49.04 85.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 72.42 110.691 178.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.25 -40.3 89.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.98 -0.555 . . . . 73.44 111.611 -179.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.8 ttt85 -66.31 -36.15 82.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.404 -0.362 . . . . 70.43 110.684 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.568 HD22 HH11 ' A' ' 41' ' ' ARG . 82.0 mt -61.52 -44.05 97.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.166 0.508 . . . . 61.13 110.373 175.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 68.6 mtp180 -66.13 -42.66 88.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.687 -0.688 . . . . 72.45 110.663 -178.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.55 -36.15 81.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 73.22 111.112 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 42.9 t80 -61.41 -54.69 40.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.047 -0.524 . . . . 73.44 110.624 178.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.582 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 10.1 mm100 -62.86 -35.77 81.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.296 -0.411 . . . . 71.42 111.901 -179.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -62.61 -43.49 98.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 63.22 111.775 -176.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 . . . . . 0 C--N 1.331 -0.233 0 CA-C-N 116.494 -0.321 . . . . 64.41 111.55 -176.07 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.517 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 97.3 mt . . . . . 0 CA--C 1.52 -0.177 0 N-CA-C 110.529 -0.174 . . . . 64.55 110.529 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.429 ' HG2' ' CD2' ' A' ' 26' ' ' LEU . 19.1 Cg_endo -62.22 141.16 87.0 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 121.996 1.797 . . . . 60.51 110.84 169.277 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.45 -35.71 80.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.259 -0.428 . . . . 72.33 111.552 -176.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -101.83 97.67 8.01 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.935 -0.575 . . . . 73.11 110.726 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.429 ' CD2' ' HG2' ' A' ' 23' ' ' PRO . 84.6 mt -97.09 -28.34 14.17 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.139 -0.482 . . . . 72.21 110.176 176.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -71.19 -19.64 62.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.843 -0.617 . . . . 62.21 110.587 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -86.8 -18.35 31.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.063 -0.517 . . . . 70.2 110.44 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 94.2 mmm -72.65 153.51 41.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.83 -0.623 . . . . 73.22 109.601 178.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.548 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 61.8 mttp -85.39 169.27 13.85 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 110.166 -0.309 . . . . 74.02 110.166 179.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.9 t -62.15 -42.16 94.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.156 0.503 . . . . 75.41 109.925 179.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.418 ' O ' ' HG2' ' A' ' 36' ' ' GLN . . . -64.74 -37.89 89.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.69 -0.686 . . . . 71.21 110.628 177.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.548 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 41.5 mm-40 -66.82 -38.54 86.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.043 -0.526 . . . . 70.01 110.806 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 79.2 mt -63.56 -42.96 98.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.999 -0.546 . . . . 72.33 109.838 176.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.524 ' HA ' HD12 ' A' ' 38' ' ' LEU . 97.3 mttt -67.15 -26.22 66.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.794 -0.639 . . . . 74.31 111.152 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 15.6 mm100 -60.61 -50.5 73.26 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.967 -0.382 . . . . 73.31 109.967 174.127 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -60.74 -44.08 97.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.234 -0.439 . . . . 70.4 110.461 176.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.591 HD13 ' HA ' ' A' ' 45' ' ' VAL . 91.1 mt -58.94 -49.02 79.42 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.157 -0.474 . . . . 51.22 111.731 -177.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -69.77 -25.65 63.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.813 0.34 . . . . 75.24 111.549 -176.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 36' ' ' GLN . 84.3 mt -86.78 -36.32 18.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.949 0.404 . . . . 75.24 111.73 -178.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 17.2 mtp180 -98.83 12.61 35.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.39 -0.368 . . . . 65.11 111.163 -174.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.6 m 64.39 72.61 0.45 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.529 0.68 . . . . 54.02 111.266 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.448 ' HB2' ' HA ' ' A' ' 38' ' ' LEU . 16.4 mt -146.14 143.43 19.28 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.281 -0.872 . . . . 74.11 110.187 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.508 ' HD2' ' HD3' ' A' ' 55' ' ' ARG . 27.0 Cg_exo -63.26 137.0 58.58 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.662 2.241 . . . . 71.42 112.142 177.172 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.591 ' HA ' HD13 ' A' ' 38' ' ' LEU . 33.3 m -94.43 5.63 7.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.213 -0.449 . . . . 75.32 111.058 -177.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.7 t -81.16 132.39 35.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.044 -0.525 . . . . 72.51 109.957 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 132.61 160.94 9.76 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 111.69 -0.564 . . . . 75.31 111.69 -178.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.499 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 32.1 p -78.14 170.35 16.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.561 0.181 . . . . 43.14 110.585 177.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.458 ' O ' HG13 ' A' ' 53' ' ' ILE . 87.6 tttt -48.35 -56.38 8.27 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.356 0.41 . . . . 63.11 112.001 -176.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.8 m -63.3 -33.59 75.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.589 0.233 . . . . 72.05 111.326 -177.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -69.34 -39.49 78.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.619 0.247 . . . . 63.21 110.56 178.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 48' ' ' THR . 83.3 mt -63.71 -42.73 97.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 73.23 109.898 176.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.528 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 76.9 mt -58.61 -49.13 83.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.86 -0.609 . . . . 64.24 110.533 175.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -63.4 -37.15 86.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.459 . . . . 72.24 111.388 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.508 ' HD3' ' HD2' ' A' ' 44' ' ' PRO . 45.6 ttm-85 -62.45 -40.97 98.33 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.839 -0.43 . . . . 61.15 109.839 178.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.455 ' O ' HD11 ' A' ' 22' ' ' LEU . 85.3 mt -64.32 -47.78 78.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.932 -0.576 . . . . 75.32 110.408 175.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.528 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 35.5 mtp180 -60.12 -43.1 95.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.929 -0.578 . . . . 72.22 110.999 -178.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.92 -36.59 83.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.955 0.407 . . . . 74.15 110.649 177.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.408 ' CD1' HD21 ' A' ' 43' ' ' LEU . 63.8 t80 -62.28 -39.73 93.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.776 -0.647 . . . . 73.43 110.647 179.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.517 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -81.43 -26.54 35.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.074 0.464 . . . . 72.41 110.141 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -60.29 -46.32 90.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.513 . . . . 74.5 110.733 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 72.45 111.302 179.909 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.554 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 94.5 mt . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 110.407 -0.219 . . . . 62.51 110.407 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -64.62 148.55 90.42 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.193 1.929 . . . . 74.24 110.927 174.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.21 -34.3 78.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.92 0.391 . . . . 74.11 111.096 -178.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.543 ' HB3' ' HB3' ' A' ' 28' ' ' ASP . 2.9 m-20 -85.75 79.18 9.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.168 -0.469 . . . . 72.35 110.341 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.3 mt -95.66 -45.44 7.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.093 -0.503 . . . . 73.43 110.289 177.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -73.11 -24.74 60.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.855 -0.611 . . . . 73.11 110.081 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.543 ' HB3' ' HB3' ' A' ' 25' ' ' ASN . 25.2 t70 -73.71 -23.06 59.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.429 -0.805 . . . . 71.52 111.003 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.533 ' HB3' ' HB2' ' A' ' 33' ' ' GLU . 48.3 mtm -83.6 146.04 28.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.741 0.305 . . . . 72.23 110.323 179.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.482 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 55.5 mttp -65.31 164.08 14.22 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.935 -0.575 . . . . 73.34 111.459 178.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.3 t -56.98 -38.48 60.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.619 -0.719 . . . . 74.31 109.978 175.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.31 -43.45 98.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.171 -0.922 . . . . 72.41 111.242 178.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.533 ' HB2' ' HB3' ' A' ' 29' ' ' MET . 8.2 mm-40 -66.29 -37.63 85.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.405 . . . . 72.53 110.744 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.89 -43.51 98.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.018 -0.537 . . . . 72.41 110.26 176.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.536 ' HA ' HD12 ' A' ' 38' ' ' LEU . 98.4 mttt -65.58 -26.43 67.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.908 -0.587 . . . . 74.31 111.504 -178.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -59.36 -48.76 80.4 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.953 0.406 . . . . 74.44 110.163 175.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -67.76 -44.97 76.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.946 -0.57 . . . . 72.53 111.012 178.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.559 HD13 ' HA ' ' A' ' 45' ' ' VAL . 80.7 mt -54.7 -53.29 56.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 73.35 111.46 -178.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -66.04 -27.41 68.08 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.51 -0.313 . . . . 71.3 111.621 -174.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 71.5 mt -84.8 -32.05 23.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.984 0.421 . . . . 63.44 111.43 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -105.72 35.23 2.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.309 -0.405 . . . . 73.04 111.254 -172.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.9 m 63.16 27.88 15.78 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.907 -0.588 . . . . 73.1 112.553 170.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.571 HD21 ' HB2' ' A' ' 59' ' ' TYR . 44.6 mt -111.32 144.31 30.22 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-O 121.013 0.435 . . . . 74.41 111.905 -176.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.456 ' HG2' ' HD3' ' A' ' 55' ' ' ARG . 38.1 Cg_endo -68.54 132.69 25.97 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.584 2.19 . . . . 64.32 111.831 175.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.559 ' HA ' HD13 ' A' ' 38' ' ' LEU . 26.8 m -89.36 7.26 3.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.044 -0.525 . . . . 75.23 111.08 -177.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.5 p -88.81 122.3 32.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.05 -0.523 . . . . 22.25 110.789 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 152.1 170.91 19.26 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.618 -0.801 . . . . 34.32 112.181 178.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.525 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 73.3 p -81.1 177.19 9.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.529 0.204 . . . . 74.21 110.559 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -54.18 -46.02 72.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.353 -0.385 . . . . 74.31 110.585 178.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.6 m -66.74 -44.09 82.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 74.41 110.996 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -58.63 -46.85 86.18 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-N 116.161 -0.472 . . . . 45.43 111.952 -178.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 48' ' ' THR . 53.4 mt -63.27 -37.95 89.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.728 0.299 . . . . 73.0 111.229 -176.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 77.8 mt -66.28 -44.67 91.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.948 0.404 . . . . 64.52 110.582 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -67.78 -32.24 72.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.302 -0.408 . . . . 72.11 110.355 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.456 ' HD3' ' HG2' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -61.07 -45.79 93.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.865 -0.607 . . . . 61.13 109.687 177.384 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.8 mt -60.43 -46.27 90.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.668 -0.696 . . . . 74.21 110.469 176.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -61.59 -40.97 96.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.796 -0.638 . . . . 72.33 111.325 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.42 -33.8 76.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.381 -0.372 . . . . 53.41 111.029 178.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.571 ' HB2' HD21 ' A' ' 43' ' ' LEU . 68.8 t80 -72.47 -41.99 65.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.433 -0.349 . . . . 73.42 110.525 178.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.554 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 19.0 tm0? -65.24 -34.38 78.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.106 0.479 . . . . 73.14 109.874 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -60.14 -43.51 95.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.922 -0.581 . . . . 64.42 110.756 177.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 . . . . . 0 C--N 1.327 -0.406 0 CA-C-N 116.027 -0.533 . . . . 64.11 111.774 -177.298 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.788 HD13 HD11 ' A' ' 26' ' ' LEU . 95.4 mt . . . . . 0 C--O 1.234 0.287 0 CA-C-O 120.546 0.212 . . . . 74.32 110.901 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.417 ' HD2' HD21 ' A' ' 26' ' ' LEU . 39.5 Cg_endo -69.58 -173.22 0.65 Allowed 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.531 2.154 . . . . 55.54 111.582 172.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.51 -49.07 9.61 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.889 0.376 . . . . 63.44 111.059 -176.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -104.51 89.61 3.27 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.096 0.474 . . . . 71.55 111.901 -176.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.788 HD11 HD13 ' A' ' 22' ' ' LEU . 95.9 mt -79.81 -21.95 43.64 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.447 0.642 . . . . 73.24 109.858 172.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.438 ' HA ' HD13 ' A' ' 53' ' ' ILE . 9.6 p-10 -80.21 -20.48 44.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.298 -0.865 . . . . 72.32 110.996 -176.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -80.65 -30.46 36.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.957 -0.565 . . . . 60.01 111.222 -175.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 66.0 mtm -70.2 163.46 26.35 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.032 0.444 . . . . 74.41 111.194 -177.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.559 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 65.2 mttt -73.11 168.14 19.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.782 -0.645 . . . . 72.34 110.256 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.414 ' O ' ' HG3' ' A' ' 35' ' ' LYS . 61.0 t -67.86 -35.18 71.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.119 0.485 . . . . 74.04 109.84 178.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.87 -36.81 85.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.704 -0.68 . . . . 53.24 110.915 178.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.559 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 15.8 mm-40 -66.49 -40.32 89.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.18 0.514 . . . . 72.52 109.961 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.53 -42.09 99.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.545 -0.752 . . . . 72.01 110.254 177.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.543 ' HA ' HD12 ' A' ' 38' ' ' LEU . 96.3 mttt -60.3 -34.46 73.81 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.027 -0.533 . . . . 64.05 111.162 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -62.14 -46.08 90.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.658 0.265 . . . . 71.1 110.719 178.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -65.58 -28.86 69.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.038 0.446 . . . . 72.22 110.942 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.559 HD13 ' HA ' ' A' ' 45' ' ' VAL . 49.2 mt -78.13 -50.94 11.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.809 -0.632 . . . . 34.24 111.239 -179.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -65.22 -25.64 67.78 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.453 -0.34 . . . . 64.31 111.517 -174.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 87.7 mt -79.98 -10.64 59.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.769 0.319 . . . . 75.55 111.138 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 58.2 mtt85 -125.34 17.65 8.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.57 -0.286 . . . . 62.52 111.327 -176.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.8 m 62.34 30.8 17.49 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.086 -0.506 . . . . 72.45 111.414 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.2 mt -96.63 149.56 35.96 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 116.107 -0.497 . . . . 75.15 110.756 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.548 ' HD2' ' HD3' ' A' ' 55' ' ' ARG . 25.7 Cg_exo -63.94 123.13 11.44 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.905 2.403 . . . . 52.53 112.182 175.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.559 ' HA ' HD13 ' A' ' 38' ' ' LEU . 33.1 m -94.25 -7.8 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 72.13 111.1 -178.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.1 t -87.71 157.45 19.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.998 -0.547 . . . . 74.42 110.056 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.96 -166.76 12.46 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.889 -0.672 . . . . 52.55 111.8 -178.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.475 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 36.3 p -83.91 166.62 17.7 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 110.389 -0.226 . . . . 73.04 110.389 178.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.419 ' O ' HG13 ' A' ' 53' ' ' ILE . 88.5 tttt -63.37 -38.2 90.24 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.775 -0.454 . . . . 65.44 109.775 177.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.6 m -56.63 -41.07 76.5 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.995 -0.548 . . . . 61.31 110.737 177.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -59.03 -53.66 55.92 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.982 -0.554 . . . . 65.32 110.807 176.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 48' ' ' THR . 23.2 mt -61.57 -46.63 89.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.795 -0.639 . . . . 74.23 111.476 -173.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.466 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 92.4 mt -56.14 -54.41 27.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 115.946 -0.57 . . . . 73.23 111.581 -178.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -77.52 -24.73 49.94 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.24 -0.437 . . . . 74.22 111.611 -173.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.548 ' HD3' ' HD2' ' A' ' 44' ' ' PRO . 26.8 ttm180 -64.28 -38.21 90.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.141 0.496 . . . . 64.31 109.855 175.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.79 -44.68 92.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.721 -0.672 . . . . 62.22 110.095 174.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 51.7 mtp180 -58.99 -50.78 72.8 Favored 'General case' 0 CA--C 1.522 -0.121 0 CA-C-N 115.92 -0.582 . . . . 74.2 110.283 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.22 -36.44 79.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.937 -0.574 . . . . 73.1 111.71 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -69.07 -43.17 75.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.299 -0.41 . . . . 74.34 110.529 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.528 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -74.21 -30.9 62.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.113 0.482 . . . . 65.01 110.189 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.18 -31.91 69.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.51 -0.768 . . . . 72.24 111.057 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 115.887 -0.597 . . . . 75.14 111.094 -178.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.7 mt . . . . . 0 C--O 1.235 0.314 0 N-CA-C 110.315 -0.254 . . . . 74.23 110.315 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.405 ' HG2' HD23 ' A' ' 26' ' ' LEU . 17.8 Cg_endo -61.79 149.72 88.87 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.439 2.093 . . . . 73.33 111.342 174.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.47 -27.29 58.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.189 0.518 . . . . 54.14 110.534 -177.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.611 ' HB3' ' HB2' ' A' ' 28' ' ' ASP . 18.8 m120 -100.11 78.06 2.04 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.577 -0.738 . . . . 42.33 110.337 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.405 HD23 ' HG2' ' A' ' 23' ' ' PRO . 75.0 mt -84.79 -39.52 18.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.001 0.429 . . . . 75.52 110.76 -179.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -73.26 -20.71 60.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.289 0.566 . . . . 61.04 110.398 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.611 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 12.1 m-20 -77.83 -18.11 56.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.842 -0.617 . . . . 45.21 110.163 177.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.441 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 68.4 mmm -77.81 146.67 35.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.807 -0.633 . . . . 70.14 110.018 178.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.504 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 24.8 mtpp -78.24 166.57 22.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.464 -0.335 . . . . 72.33 110.408 179.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.9 t -61.58 -38.81 81.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.103 0.478 . . . . 74.43 110.409 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.16 -23.78 65.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.804 -0.635 . . . . 65.13 110.882 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.504 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 9.6 mm-40 -78.95 -44.4 22.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.021 -0.536 . . . . 72.2 110.073 178.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.2 mt -59.43 -43.37 93.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.558 -0.746 . . . . 55.43 110.586 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.5 ' HA ' HD12 ' A' ' 38' ' ' LEU . 97.2 mttt -58.44 -34.1 70.45 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.995 -0.548 . . . . 72.33 111.528 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.404 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 15.6 mm100 -60.4 -51.84 67.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.464 -0.334 . . . . 73.14 111.01 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -71.86 -28.13 63.33 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.775 -0.37 . . . . 72.02 111.338 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 35' ' ' LYS . 78.2 mt -62.35 -56.56 17.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.608 0.242 . . . . 72.15 110.576 175.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.448 ' HE2' HG11 ' A' ' 45' ' ' VAL . 17.2 ptpt -64.87 -27.17 68.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.497 -0.319 . . . . 74.33 111.413 -175.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 36' ' ' GLN . 90.8 mt -80.6 -17.61 50.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.575 0.226 . . . . 62.52 111.325 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 74.6 mtt-85 -112.74 23.08 13.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.551 0.215 . . . . 73.42 111.048 -178.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.8 t 69.08 20.72 7.6 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.951 -0.568 . . . . 64.42 111.559 175.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.427 HD22 ' HG2' ' A' ' 55' ' ' ARG . 36.3 mt -99.82 145.3 29.91 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.373 -0.376 . . . . 74.12 110.981 -178.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -63.88 141.13 76.65 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.833 2.355 . . . . 74.12 111.689 174.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.448 HG11 ' HE2' ' A' ' 39' ' ' LYS . 32.5 m -99.12 -11.46 8.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.847 0.356 . . . . 72.21 111.638 -174.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.3 t -82.15 142.86 31.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.393 -0.367 . . . . 74.04 110.187 178.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 137.29 168.4 11.36 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.879 -0.676 . . . . 45.11 111.843 -179.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.603 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 23.5 p -73.99 162.18 29.31 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.573 0.187 . . . . 70.5 110.855 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.436 ' O ' HG13 ' A' ' 53' ' ' ILE . 75.5 tttt -54.28 -51.33 64.95 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.853 0.359 . . . . 73.52 111.098 -176.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.2 m -59.42 -40.75 87.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.913 -0.585 . . . . 72.3 110.895 -178.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -61.18 -45.04 96.22 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 115.933 -0.576 . . . . 73.52 110.775 178.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 48' ' ' THR . 55.0 mt -62.69 -42.44 99.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 71.14 110.653 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.496 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 81.9 mt -60.63 -51.94 67.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.174 -0.466 . . . . 72.34 110.887 178.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.48 ' HG2' ' NH2' ' A' ' 57' ' ' ARG . 33.4 mt-10 -67.31 -31.4 71.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.417 -0.356 . . . . 74.51 111.133 -178.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.427 ' HG2' HD22 ' A' ' 43' ' ' LEU . 33.8 ttm180 -59.85 -40.25 87.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.135 0.493 . . . . 74.0 109.877 177.37 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.4 mt -68.95 -44.57 72.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.634 -0.712 . . . . 74.51 110.506 175.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 25.9 mtm180 -66.31 -34.14 77.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.369 -0.378 . . . . 70.12 111.393 -176.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.24 -31.44 60.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.117 0.484 . . . . 65.13 110.505 177.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 92.9 t80 -68.89 -43.18 75.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.936 -0.575 . . . . 73.14 110.209 176.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.3 tm0? -73.74 -29.83 62.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.939 -0.573 . . . . 74.24 110.399 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -57.65 -44.3 85.55 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.248 -0.433 . . . . 74.03 111.304 178.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 74.35 111.131 -178.141 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.6 mt . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.827 0.346 . . . . 55.33 111.752 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -70.35 153.79 65.92 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.399 2.066 . . . . 71.13 110.444 169.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.31 1.77 43.39 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.85 0.357 . . . . 71.0 111.46 -176.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.511 ' O ' ' HG3' ' A' ' 29' ' ' MET . 0.9 OUTLIER -104.74 36.27 2.49 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.417 -0.356 . . . . 62.13 111.371 -178.388 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.5 mt -57.63 -40.63 79.67 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.943 0.349 . . . . 72.41 111.943 -176.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -82.24 -17.13 47.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.156 0.503 . . . . 72.11 110.421 -178.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.506 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 8.6 m-20 -84.48 -9.33 58.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.733 -0.667 . . . . 72.22 110.028 177.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . 0.511 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 89.9 mtp -94.92 147.08 23.76 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.843 -0.617 . . . . 50.51 110.583 -179.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.408 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 57.0 mttp -82.74 174.55 10.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.892 -0.595 . . . . 61.23 110.946 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.511 HG12 ' HE3' ' A' ' 35' ' ' LYS . 36.5 t -61.47 -46.3 96.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.81 -0.632 . . . . 65.44 110.02 179.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.91 -40.67 96.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.739 -0.664 . . . . 72.23 110.963 178.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -63.57 -43.61 96.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 74.34 110.997 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 95.7 mt -65.56 -39.0 91.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.38 -0.373 . . . . 73.43 111.213 -178.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.567 ' HA ' HD12 ' A' ' 38' ' ' LEU . 98.2 mttt -60.34 -32.93 71.72 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.397 -0.365 . . . . 74.13 111.422 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.406 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 15.9 mm100 -63.46 -49.3 74.19 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.883 -0.414 . . . . 75.34 109.883 176.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HG3' ' HE1' ' A' ' 29' ' ' MET . 50.3 mm-40 -63.93 -34.11 77.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.621 -0.718 . . . . 65.1 111.374 -179.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.567 HD12 ' HA ' ' A' ' 35' ' ' LYS . 59.5 mt -63.48 -61.1 2.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.002 -0.544 . . . . 72.53 111.388 179.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -66.88 -26.44 66.88 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.128 0.418 . . . . 60.51 112.128 -172.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 36' ' ' GLN . 69.2 mt -68.94 -22.74 64.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.003 0.43 . . . . 63.52 110.719 176.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -105.99 13.22 29.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.125 -0.489 . . . . 74.14 110.226 177.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.5 m 61.77 67.94 0.73 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.815 -0.629 . . . . 73.44 110.845 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 33.2 mt -136.63 145.61 51.99 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.789 -0.641 . . . . 51.33 110.37 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.53 ' HD2' ' HD3' ' A' ' 55' ' ' ARG . 36.3 Cg_exo -60.47 142.19 97.37 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.607 2.205 . . . . 60.01 111.465 175.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.53 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 35.5 m -107.57 1.23 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.911 0.386 . . . . 64.42 111.626 -175.09 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.9 m -73.39 159.75 32.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.257 -0.429 . . . . 73.23 110.808 178.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.2 -174.24 20.38 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.807 -0.711 . . . . 74.21 112.392 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.646 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 7.3 p -96.58 -178.22 4.19 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 122.302 0.241 . . . . 62.42 110.543 178.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.508 ' HB2' HG22 ' A' ' 31' ' ' VAL . 82.8 tttt -53.03 -54.27 37.8 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.811 0.338 . . . . 71.32 111.465 -179.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.9 m -62.99 -36.04 82.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.232 -0.44 . . . . 73.43 111.348 -175.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -59.14 -41.97 89.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.968 0.413 . . . . 54.32 110.167 177.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' A' ' 48' ' ' THR . 22.7 mt -67.67 -41.09 84.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.885 -0.598 . . . . 73.22 110.34 -179.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.556 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 74.2 mt -59.31 -51.56 71.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 116.093 -0.503 . . . . 73.14 110.585 178.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -64.09 -36.34 83.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 72.32 110.976 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.53 ' HD3' ' HD2' ' A' ' 44' ' ' PRO . 37.6 ttm180 -65.27 -41.53 94.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.892 -0.595 . . . . 70.43 110.621 178.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.63 -42.89 99.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 63.44 110.627 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.556 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 63.2 mtp180 -61.04 -41.08 95.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 72.43 110.608 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.76 -32.45 73.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.966 -0.561 . . . . 60.23 111.249 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -76.23 -40.52 51.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.519 -0.31 . . . . 75.1 110.752 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.7 tm0? -65.05 -39.53 93.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.964 0.412 . . . . 71.21 110.106 -178.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -59.42 -42.55 92.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.959 -0.564 . . . . 74.45 110.987 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.386 -0.37 . . . . 73.51 111.407 -176.896 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.5 tpp . . . . . 0 N--CA 1.482 1.134 0 CA-C-O 120.897 0.379 . . . . 75.21 110.689 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -90.96 -66.08 1.18 Allowed Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.657 -0.782 . . . . 51.52 111.997 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -86.96 88.38 7.69 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.107 0.479 . . . . 62.13 110.741 -178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -106.04 156.76 18.09 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.011 -0.737 . . . . 65.03 109.011 173.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -74.34 92.95 2.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.405 0.622 . . . . 63.12 110.747 -175.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -131.13 105.99 8.06 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.212 -0.904 . . . . 53.32 109.348 178.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -63.99 138.27 58.38 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.219 -0.66 . . . . 73.41 109.219 178.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.7 t-160 -59.43 105.0 0.31 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.14 -0.689 . . . . 65.35 109.14 179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.2 m -57.73 -57.31 13.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.869 -0.605 . . . . 72.41 111.179 -173.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.0 t60 -82.31 92.09 6.9 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.94 -0.763 . . . . 65.24 108.94 174.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 44.7 ttm -120.82 108.84 14.43 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.372 0.606 . . . . 73.04 111.751 -175.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.1 p -114.53 16.71 17.61 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 107.875 -1.157 . . . . 75.14 107.875 168.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.462 HG22 ' HD2' ' A' ' 14' ' ' PRO . 0.2 OUTLIER -88.92 144.58 33.12 Favored Pre-proline 0 N--CA 1.447 -0.582 0 CA-C-N 113.787 -1.551 . . . . 43.31 109.797 179.369 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.462 ' HD2' HG22 ' A' ' 13' ' ' THR . 37.4 Cg_exo -61.75 156.58 47.36 Favored 'Trans proline' 0 C--O 1.236 0.389 0 C-N-CA 122.344 2.029 . . . . 45.02 111.65 174.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 tt -82.14 82.31 7.74 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 108.743 -0.836 . . . . 64.32 108.743 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.5 m -149.51 148.96 30.02 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.526 -0.761 . . . . 71.12 109.399 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -120.41 -51.14 0.27 Allowed Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.664 -0.779 . . . . 40.42 112.156 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -140.51 89.06 10.68 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-O 120.487 0.184 . . . . 73.31 110.895 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -91.46 177.4 1.91 Allowed 'Trans proline' 0 N--CA 1.455 -0.75 0 C-N-CA 122.856 2.371 . . . . 74.21 112.051 175.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.83 23.34 17.32 Favored Glycine 0 N--CA 1.449 -0.447 0 N-CA-C 111.467 -0.653 . . . . 63.21 111.467 178.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.12 -161.39 0.94 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.574 -0.528 . . . . 64.13 109.574 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.627 HD13 HD11 ' A' ' 26' ' ' LEU . 79.2 mt -133.78 148.9 70.28 Favored Pre-proline 0 C--N 1.323 -0.547 0 O-C-N 123.186 0.304 . . . . 72.02 110.316 178.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.44 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 42.9 Cg_endo -71.63 144.28 44.13 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 121.938 1.759 . . . . 72.24 110.546 169.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -78.62 12.65 1.95 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.869 0.366 . . . . 74.04 111.256 -175.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -122.01 28.57 7.48 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.181 -0.463 . . . . 74.25 110.483 -173.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.627 HD11 HD13 ' A' ' 22' ' ' LEU . 96.3 mt -56.91 -46.69 81.8 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 116.032 -0.531 . . . . 74.21 111.904 -176.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -69.6 -27.19 64.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.169 -0.469 . . . . 75.21 111.231 -176.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -79.8 -13.05 59.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.793 0.33 . . . . 73.42 111.321 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 60.2 mtm -87.09 170.21 11.72 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.698 -0.482 . . . . 72.13 109.698 174.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.537 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -101.43 175.97 5.4 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.469 -0.332 . . . . 62.51 110.977 -175.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.6 t -58.89 -47.38 89.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.732 -0.667 . . . . 75.32 111.785 -176.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.45 -32.4 71.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.762 0.315 . . . . 40.35 110.883 -177.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.537 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 5.4 mm-40 -65.03 -45.13 86.71 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.68 -0.489 . . . . 73.2 109.68 178.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.6 -37.44 87.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.764 -0.653 . . . . 75.14 110.601 178.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.562 ' HA ' HD12 ' A' ' 38' ' ' LEU . 94.1 mttt -65.84 -25.37 67.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.033 -0.531 . . . . 75.34 111.145 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -59.76 -46.82 87.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.758 -0.201 . . . . 73.54 110.663 176.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -65.92 -45.94 80.07 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.748 -0.381 . . . . 71.31 110.513 176.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 35' ' ' LYS . 87.0 mt -54.2 -56.35 19.13 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.262 -0.426 . . . . 74.34 111.849 -177.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -65.84 -26.35 67.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.66 0.267 . . . . 74.33 111.523 -174.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.7 mt -87.05 -33.56 19.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.58 -0.282 . . . . 71.32 111.642 -179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 61.5 mtp180 -94.66 18.21 11.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.815 -0.175 . . . . 64.41 111.421 -176.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.0 m 65.68 52.34 1.33 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.323 0.582 . . . . 70.5 111.258 176.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.479 HD22 ' HG2' ' A' ' 55' ' ' ARG . 28.6 mt -128.88 133.16 24.89 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 115.947 -0.57 . . . . 63.4 110.89 179.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -65.91 128.97 20.87 Favored 'Trans proline' 0 N--CA 1.463 -0.271 0 C-N-CA 122.554 2.169 . . . . 75.34 111.928 177.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.3 m -89.4 12.94 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.123 -0.49 . . . . 71.25 111.582 -176.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 3.4 m -78.48 114.3 17.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.189 -0.46 . . . . 72.42 111.12 -177.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 143.23 -163.94 27.35 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.47 -0.871 . . . . 64.13 112.898 176.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.66 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 32.4 p -98.83 171.04 8.33 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 110.222 -0.288 . . . . 71.35 110.222 178.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -55.33 -35.67 65.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.005 0.431 . . . . 71.23 110.196 176.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 3.7 m -57.09 -47.62 80.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.53 -0.759 . . . . 74.04 110.534 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -65.76 -41.88 91.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.934 -0.575 . . . . 74.32 110.992 177.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.66 ' HG ' ' O ' ' A' ' 48' ' ' THR . 31.4 mt -57.62 -48.55 79.12 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.312 -0.403 . . . . 61.15 111.028 -176.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 70.7 mt -63.15 -47.2 93.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.431 -0.349 . . . . 73.44 110.957 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -63.51 -38.6 91.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.306 -0.406 . . . . 75.02 111.212 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.479 ' HG2' HD22 ' A' ' 43' ' ' LEU . 24.5 ttm180 -67.51 -39.86 85.14 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.01 -0.541 . . . . 75.33 110.216 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 70.9 mt -62.33 -43.18 99.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.985 -0.552 . . . . 75.31 110.136 173.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -59.47 -43.09 93.31 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 115.81 -0.632 . . . . 63.31 111.104 178.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.14 -38.38 88.0 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.939 0.4 . . . . 53.24 111.47 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -72.93 -21.9 60.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.435 0.636 . . . . 62.15 110.187 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.466 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 0.3 OUTLIER -85.41 -38.48 18.63 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.591 -0.731 . . . . 55.52 109.176 176.416 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.457 ' OD2' ' HG2' ' A' ' 71' ' ' LYS . 15.9 t70 -61.66 -32.83 73.02 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.507 -0.769 . . . . 74.44 111.902 -174.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -66.81 -11.82 56.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.151 0.5 . . . . 73.4 110.972 177.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.0 mt -99.29 -19.89 5.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.865 -0.607 . . . . 75.42 109.825 176.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.435 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 50.5 m -95.32 138.66 21.88 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.724 -0.671 . . . . 72.54 111.456 -175.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 64' ' ' SER . 2.0 Cg_endo -81.88 26.5 0.62 Allowed 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 123.419 2.746 . . . . 72.13 112.347 178.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 18.5 m -84.56 126.43 68.94 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-O 121.028 0.442 . . . . 53.12 110.759 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 66' ' ' VAL . 60.5 Cg_endo -94.68 -4.16 2.4 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 123.22 2.613 . . . . 55.21 114.09 -176.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -99.76 9.08 60.12 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.463 -0.875 . . . . 72.52 113.288 -174.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -124.05 158.71 59.56 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.86 0.33 . . . . 61.41 110.764 -178.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -70.06 112.38 3.12 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.815 2.343 . . . . 54.21 111.634 177.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.457 ' HG2' ' OD2' ' A' ' 61' ' ' ASP . 19.3 mtpp -92.96 142.96 26.72 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.333 -0.394 . . . . 51.11 110.089 -176.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -141.75 132.86 13.19 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.348 -0.387 . . . . 54.22 110.619 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 98.8 Cg_endo -79.57 -164.03 0.26 Allowed 'Trans proline' 0 C--O 1.235 0.355 0 C-N-CA 122.784 2.323 . . . . 72.54 112.004 177.155 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.77 164.9 24.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.851 0.358 . . . . 70.51 110.748 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.543 -0.742 . . . . 51.43 110.306 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 110.263 -0.273 . . . . 73.02 110.263 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 83.43 -84.99 1.54 Allowed Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.767 -0.73 . . . . 53.42 111.671 -177.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 12.0 t60 -169.05 144.25 3.21 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.489 -0.93 . . . . 70.35 108.489 179.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -80.5 117.73 21.48 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.888 0.375 . . . . 44.04 110.469 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -145.2 142.1 29.26 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.018 -0.537 . . . . 74.05 111.036 -178.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -128.44 153.61 46.93 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.678 -0.86 . . . . 65.51 108.678 170.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 7.1 p-80 -57.96 132.09 52.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.911 0.386 . . . . 74.11 111.017 -176.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.0 p-80 -165.66 148.85 7.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.97 -0.559 . . . . 74.31 109.958 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.5 m -66.44 121.5 15.44 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 110.112 -0.329 . . . . 75.03 110.112 177.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -73.88 83.21 1.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.347 0.594 . . . . 63.03 110.432 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 90.8 mtp -137.0 -60.01 0.69 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.592 -0.731 . . . . 74.44 109.728 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.0 m -77.42 99.88 5.77 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 115.55 -0.75 . . . . 73.41 110.785 179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.462 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 88.2 m -106.16 127.82 27.55 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.184 -0.462 . . . . 75.45 110.058 174.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 12.7 Cg_exo -69.41 96.18 0.55 Allowed 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.576 2.184 . . . . 74.23 111.564 176.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -80.36 -36.31 34.22 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.038 -1.097 . . . . 74.42 108.038 177.456 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 22.2 m -143.69 100.1 3.53 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 114.755 -1.112 . . . . 44.12 109.262 174.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.97 81.26 0.45 Allowed Glycine 0 N--CA 1.447 -0.569 0 CA-C-N 115.941 -0.572 . . . . 64.12 112.651 -179.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -86.88 124.79 68.44 Favored Pre-proline 0 C--N 1.324 -0.51 0 N-CA-C 109.934 -0.395 . . . . 73.4 109.934 177.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -68.75 174.89 7.94 Favored 'Trans proline' 0 C--O 1.236 0.396 0 C-N-CA 122.47 2.113 . . . . 41.11 111.96 178.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.45 53.24 4.65 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 121.039 -0.601 . . . . 74.22 111.998 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.99 164.89 29.74 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.109 -0.33 . . . . 70.2 110.109 -178.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.3 mt -120.85 147.98 47.4 Favored Pre-proline 0 C--N 1.32 -0.693 0 CA-C-N 116.119 -0.491 . . . . 75.03 110.834 -178.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.49 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 72.5 Cg_endo -77.88 151.94 28.17 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 122.39 2.06 . . . . 65.32 111.396 173.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -80.69 12.78 2.92 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.118 0.485 . . . . 65.23 111.094 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -104.35 16.12 26.82 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.923 -0.58 . . . . 70.3 110.916 -178.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 23' ' ' PRO . 92.3 mt -57.97 -35.31 71.0 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.916 0.389 . . . . 72.14 110.979 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -65.11 -28.29 69.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.952 -0.567 . . . . 54.34 111.369 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -85.78 -31.6 22.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.882 0.372 . . . . 65.21 110.273 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 89.4 mtp -62.15 140.99 58.4 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.787 -0.642 . . . . 74.21 110.495 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.615 ' HD2' ' N ' ' A' ' 30' ' ' LYS . 7.1 mptt -84.07 171.06 13.25 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.512 -0.767 . . . . 73.14 110.709 -174.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.507 HG12 ' HE3' ' A' ' 35' ' ' LYS . 60.6 t -56.41 -41.74 72.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 120.914 0.388 . . . . 73.34 109.992 177.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.453 ' O ' ' HG2' ' A' ' 36' ' ' GLN . . . -62.19 -43.95 97.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.724 -0.671 . . . . 64.41 110.773 177.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -62.94 -40.17 96.84 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.208 -0.451 . . . . 71.4 110.916 179.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 85.9 mt -65.61 -40.82 93.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.114 -0.493 . . . . 63.13 110.554 179.391 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.507 ' HE3' HG12 ' A' ' 31' ' ' VAL . 98.0 mttt -61.01 -33.21 72.9 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.124 -0.489 . . . . 64.55 111.257 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 17.2 mm100 -61.21 -46.39 90.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.4 -0.363 . . . . 73.43 110.587 178.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -69.11 -34.58 75.28 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.22 -0.445 . . . . 72.21 110.816 178.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.542 HD13 ' HA ' ' A' ' 45' ' ' VAL . 90.5 mt -65.3 -55.23 19.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.133 -0.485 . . . . 54.14 111.202 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -64.39 -34.49 78.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.709 0.29 . . . . 64.34 111.319 -174.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.7 mt -80.71 -10.28 59.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.529 -0.305 . . . . 72.21 111.766 -176.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 66.1 mtt180 -118.99 13.75 13.08 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.592 0.234 . . . . 75.15 110.776 178.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.8 m 62.71 69.36 0.6 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.749 -0.66 . . . . 45.44 110.852 178.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.2 mt -139.29 148.84 58.5 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 115.606 -0.724 . . . . 74.33 110.434 -178.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.645 ' HG2' ' HD3' ' A' ' 55' ' ' ARG . 20.4 Cg_endo -62.8 122.05 10.2 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.503 2.136 . . . . 63.33 111.834 176.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.542 ' HA ' HD13 ' A' ' 38' ' ' LEU . 27.7 m -92.91 6.21 6.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.831 -0.622 . . . . 62.43 111.949 -175.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 49.3 m -101.68 139.86 36.76 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.803 0.335 . . . . 73.44 110.688 178.534 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 140.29 -178.43 19.91 Favored Glycine 0 N--CA 1.447 -0.627 0 CA-C-N 115.926 -0.579 . . . . 75.21 112.005 178.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.563 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 22.2 p -83.0 161.63 21.68 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.995 -0.372 . . . . 65.54 109.995 177.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.423 ' HE2' HD11 ' A' ' 53' ' ' ILE . 86.6 tttt -59.23 -39.65 83.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.479 0.18 . . . . 65.23 111.13 -178.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 2.4 m -56.86 -48.18 78.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.016 0.436 . . . . 62.34 110.405 177.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -62.39 -46.27 89.36 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.732 -0.667 . . . . 72.21 110.983 177.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 48' ' ' THR . 85.4 mt -62.05 -46.1 90.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 62.21 111.611 -176.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.523 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 69.0 mt -61.33 -50.49 80.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 CA-C-O 120.702 0.287 . . . . 74.14 110.812 179.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -67.81 -25.82 65.76 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.492 -0.322 . . . . 74.14 110.798 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.645 ' HD3' ' HG2' ' A' ' 44' ' ' PRO . 37.9 ttm180 -65.84 -41.79 91.3 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.184 -0.462 . . . . 72.41 110.203 176.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 77.1 mt -66.09 -43.98 85.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.859 -0.61 . . . . 62.51 110.281 175.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.523 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 53.6 mtp180 -62.58 -40.09 95.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.495 . . . . 74.42 110.298 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.14 -34.81 79.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 74.04 110.932 177.439 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.42 ' O ' HG13 ' A' ' 63' ' ' ILE . 57.0 t80 -66.39 -40.9 89.93 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.106 -0.497 . . . . 74.44 110.37 179.442 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.22 -36.32 66.44 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.338 -0.392 . . . . 71.13 110.058 178.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.401 ' OD1' ' HA ' ' A' ' 65' ' ' PRO . 36.4 t70 -71.6 -22.3 61.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.811 -0.631 . . . . 65.25 111.835 -177.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -90.89 -10.4 42.74 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 121.896 -0.503 . . . . 72.33 110.651 176.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 59' ' ' TYR . 76.4 mt -88.81 -45.26 15.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 109.223 -0.658 . . . . 61.32 109.223 173.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.7 m -150.79 97.74 3.23 Favored Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 115.342 -0.845 . . . . 71.41 109.373 174.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.401 ' HA ' ' OD1' ' A' ' 61' ' ' ASP . 42.9 Cg_endo -67.96 158.33 57.86 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.832 2.354 . . . . 71.04 112.635 -176.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.459 ' HB ' ' HB3' ' A' ' 69' ' ' ALA . 6.4 m -60.84 112.49 5.76 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.191 0.519 . . . . 74.51 111.249 177.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 66' ' ' VAL . 5.2 Cg_exo -77.77 118.4 4.48 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 123.057 2.505 . . . . 65.04 112.298 -177.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 60.7 39.16 96.26 Favored Glycine 0 N--CA 1.452 -0.263 0 CA-C-N 115.905 -0.589 . . . . 24.01 112.852 178.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.459 ' HB3' ' HB ' ' A' ' 66' ' ' VAL . . . -147.61 146.71 25.4 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 110.521 -0.178 . . . . 75.24 110.521 -178.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 69' ' ' ALA . 23.4 Cg_exo -65.5 161.28 38.98 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.687 2.258 . . . . 54.42 111.757 175.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -86.65 -0.65 56.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.601 0.715 . . . . 74.32 109.836 -178.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -103.43 151.69 38.67 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.534 -0.757 . . . . 72.43 109.747 175.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.29 142.63 78.69 Favored 'Trans proline' 0 C--O 1.235 0.373 0 C-N-CA 122.903 2.402 . . . . 74.24 112.529 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.91 139.47 58.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.764 -0.653 . . . . 75.11 112.13 -176.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.924 0 CA-C-O 118.659 -0.686 . . . . 62.1 109.699 178.078 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 109.759 -0.46 . . . . 61.23 109.759 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -121.27 -97.4 1.52 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.589 -0.815 . . . . 61.43 111.334 177.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 44.4 m80 -139.68 167.74 21.41 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.592 -0.522 . . . . 74.11 109.592 176.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.1 p-80 -61.51 133.78 56.11 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 110.179 -0.304 . . . . 65.03 110.179 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 22.5 p80 -82.78 166.51 18.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.418 -0.356 . . . . 54.34 110.662 -177.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 41.4 m80 -75.33 146.28 41.06 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.655 -0.498 . . . . 53.43 109.655 174.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.4 p80 -100.56 133.76 44.52 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.218 0.532 . . . . 73.34 111.669 -174.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.3 p-80 -130.94 -178.4 4.8 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.335 -0.848 . . . . 71.11 109.419 173.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.1 m -58.77 117.85 5.05 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.996 0.427 . . . . 63.43 111.706 -175.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -151.63 143.18 23.56 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.173 -0.677 . . . . 72.01 109.173 177.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 63.4 mtm -91.65 178.31 5.96 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 110.464 -0.199 . . . . 71.54 110.464 -179.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 36.9 m -63.77 139.29 58.75 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.39 -0.368 . . . . 71.03 111.155 -179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.403 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 1.7 m -98.19 113.42 63.94 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 116.266 -0.424 . . . . 72.15 110.529 179.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 5.6 Cg_exo -76.81 91.44 1.16 Allowed 'Trans proline' 0 N--CA 1.457 -0.66 0 C-N-CA 122.786 2.324 . . . . 65.34 110.788 174.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 pp -79.1 145.68 33.63 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.08 -0.509 . . . . 63.31 111.146 -173.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.0 p -82.3 -20.24 37.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.059 -0.519 . . . . 72.54 111.319 -178.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.46 ' O ' ' HD3' ' A' ' 19' ' ' PRO . . . 84.04 -98.16 2.12 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.814 -0.708 . . . . 62.04 112.82 175.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -98.46 107.67 43.51 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-O 120.584 0.231 . . . . 60.33 111.51 -177.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.46 ' HD3' ' O ' ' A' ' 17' ' ' GLY . 4.0 Cg_exo -80.97 143.28 14.31 Favored 'Trans proline' 0 N--CA 1.459 -0.549 0 C-N-CA 123.366 2.711 . . . . 55.31 111.468 175.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -109.93 -48.89 0.76 Allowed Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.853 -0.689 . . . . 51.54 112.091 179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -150.29 170.8 18.14 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.701 0.286 . . . . 25.32 110.768 -178.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.494 HD13 ' HB3' ' A' ' 56' ' ' LEU . 97.6 mt -123.74 151.84 64.8 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.175 -0.466 . . . . 73.05 110.168 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -60.53 126.61 20.36 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 122.397 2.065 . . . . 74.21 110.984 173.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -55.05 -45.78 75.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.157 -0.474 . . . . 64.42 111.798 -176.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -86.19 67.6 10.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.991 0.424 . . . . 61.3 111.538 -178.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.9 mt -68.5 -19.84 64.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.264 0.554 . . . . 71.11 109.633 173.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -67.73 -33.25 74.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.276 -0.875 . . . . 62.43 110.712 177.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.13 -15.76 54.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.232 -0.44 . . . . 74.23 110.874 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 94.5 mmm -73.37 146.51 45.13 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.129 -0.487 . . . . 72.44 110.848 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.516 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 63.4 mttp -66.34 157.73 31.0 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.087 -0.506 . . . . 54.55 111.064 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.1 -46.97 92.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.628 -0.714 . . . . 75.55 110.438 -179.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' A' ' 36' ' ' GLN . . . -66.23 -31.22 71.91 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.063 -0.517 . . . . 63.54 110.979 179.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.516 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 67.9 mm-40 -72.9 -34.36 66.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.317 -0.401 . . . . 75.43 110.743 -179.463 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 97.2 mt -62.2 -41.14 98.07 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.55 -0.537 . . . . 73.41 109.55 173.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.554 ' HA ' HD12 ' A' ' 38' ' ' LEU . 99.5 mttt -63.11 -35.43 80.25 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.376 -0.829 . . . . 73.31 110.67 177.352 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 16.3 mm100 -60.94 -46.61 90.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.424 . . . . 75.22 110.673 177.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.458 ' HB3' HH12 ' A' ' 41' ' ' ARG . 39.5 mm-40 -70.14 -22.69 62.97 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.829 -0.623 . . . . 75.22 111.174 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 35' ' ' LYS . 82.4 mt -77.21 -53.86 7.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 61.54 110.725 176.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.0 ptmm? -63.87 -24.34 67.71 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.34 -0.391 . . . . 65.33 111.885 -174.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 37.8 mt -75.12 -23.92 57.97 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.766 0.317 . . . . 65.44 111.251 178.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.458 HH12 ' HB3' ' A' ' 37' ' ' GLU . 73.2 mtt85 -115.2 21.63 14.0 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.166 -0.47 . . . . 75.21 110.977 -174.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.0 m 63.68 32.09 14.01 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.472 -0.786 . . . . 62.11 111.668 175.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.41 ' HB3' HD22 ' A' ' 38' ' ' LEU . 47.9 mt -100.17 140.7 21.68 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.041 -0.527 . . . . 65.22 110.973 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -65.04 127.55 18.72 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.656 2.237 . . . . 64.43 112.14 177.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.498 HG12 ' HB2' ' A' ' 38' ' ' LEU . 32.0 m -95.75 7.93 6.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.12 -0.491 . . . . 63.04 111.353 -177.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.3 p -91.19 99.69 12.65 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.038 -0.528 . . . . 65.21 111.307 -176.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 169.05 -174.53 43.56 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.995 -0.622 . . . . 64.1 111.94 179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.656 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 41.6 p -78.75 168.95 18.98 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.242 -0.281 . . . . 72.13 110.242 177.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -58.18 -38.03 75.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.015 0.436 . . . . 74.54 109.927 178.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.408 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 5.7 m -58.25 -47.94 82.0 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.628 -0.715 . . . . 74.1 110.326 177.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 55' ' ' ARG . 73.8 mm-40 -64.86 -37.7 88.5 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.848 -0.615 . . . . 62.12 111.31 -179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.656 ' HG ' ' O ' ' A' ' 48' ' ' THR . 54.7 mt -61.31 -46.09 91.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.927 0.394 . . . . 61.11 110.351 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.523 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 81.3 mt -62.39 -53.1 51.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.809 -0.632 . . . . 74.43 111.042 178.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 50' ' ' THR . 28.3 mm-40 -64.63 -27.11 68.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 54.21 110.961 -176.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.505 ' HB2' ' O ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -65.66 -49.16 69.64 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 73.23 109.977 178.337 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.494 ' HB3' HD13 ' A' ' 22' ' ' LEU . 78.6 mt -59.72 -45.81 91.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.537 -0.756 . . . . 73.11 110.591 177.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.523 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 81.8 mtp180 -56.78 -48.31 78.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.74 -0.664 . . . . 71.12 110.794 -179.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.52 -27.84 67.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 63.44 111.702 -177.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.567 ' O ' HG13 ' A' ' 63' ' ' ILE . 66.5 t80 -72.47 -52.02 17.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.498 -0.319 . . . . 73.02 110.277 179.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.506 ' HA ' HD12 ' A' ' 63' ' ' ILE . 24.1 tm0? -65.53 -33.05 75.02 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.162 0.506 . . . . 74.35 110.069 179.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -57.92 -40.11 79.62 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.531 -0.759 . . . . 75.14 111.267 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.576 ' HB2' ' HD2' ' A' ' 71' ' ' LYS . 10.2 pt20 -90.29 -3.17 57.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.774 0.321 . . . . 63.21 111.231 -178.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.567 HG13 ' O ' ' A' ' 59' ' ' TYR . 70.7 mt -78.83 -25.67 13.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 108.752 -0.833 . . . . 73.12 108.752 170.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.5 m -83.31 147.7 53.98 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.064 -0.971 . . . . 70.31 109.578 175.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -53.97 115.37 2.31 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 123.135 2.556 . . . . 64.33 113.183 -175.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.442 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 6.0 m -117.97 110.74 39.6 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.693 -0.685 . . . . 62.14 110.302 176.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 66' ' ' VAL . 23.1 Cg_exo -64.6 -60.86 0.12 Allowed 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.781 2.321 . . . . 60.23 112.232 -176.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -140.1 103.0 0.35 Allowed Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.938 -0.648 . . . . 73.35 111.798 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -145.14 141.77 17.59 Favored Pre-proline 0 C--N 1.322 -0.613 0 N-CA-C 110.374 -0.232 . . . . 61.22 110.374 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -71.42 88.86 0.72 Allowed 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.468 2.112 . . . . 65.02 111.326 175.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.576 ' HD2' ' HB2' ' A' ' 62' ' ' GLN . 19.3 ttpp -109.76 31.84 5.51 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.506 -0.77 . . . . 74.04 110.128 -173.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.436 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . . . -57.4 124.97 70.01 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.329 -0.851 . . . . 40.31 111.104 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 72' ' ' ALA . 7.0 Cg_exo -72.64 79.3 1.91 Allowed 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.747 2.298 . . . . 63.55 111.584 178.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.62 10.5 13.12 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.962 -0.563 . . . . 72.34 111.203 -178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.911 0 CA-C-O 118.384 -0.817 . . . . 70.41 109.862 178.575 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.48 1.026 0 CA-C-O 120.701 0.286 . . . . 74.32 110.632 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -107.29 -162.0 21.66 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.701 -0.762 . . . . 72.35 112.344 -178.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 65.6 m80 -72.67 134.3 45.02 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.932 0.396 . . . . 74.34 110.895 179.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 49.9 m80 -87.61 -28.93 21.59 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.431 -0.951 . . . . 63.22 108.431 174.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -103.82 105.68 15.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.16 -0.927 . . . . 74.42 109.702 172.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -74.51 -40.1 62.0 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.617 -0.512 . . . . 75.4 109.617 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 64.6 m-70 -110.37 138.89 46.14 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.019 -0.734 . . . . 74.04 109.019 171.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -108.78 84.0 1.86 Allowed 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 120.896 -0.322 . . . . 65.33 110.436 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.0 t -164.46 113.57 1.15 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.216 -0.447 . . . . 54.01 109.911 -179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.6 p-80 -104.95 133.22 50.11 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.238 -0.437 . . . . 74.12 110.182 179.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.5 tpt -119.9 128.96 54.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.098 -0.501 . . . . 70.05 110.147 178.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.1 p -66.93 134.04 51.2 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.914 -0.584 . . . . 40.3 110.525 -179.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.5 p -62.65 115.81 19.3 Favored Pre-proline 0 C--N 1.327 -0.405 0 O-C-N 123.449 0.468 . . . . 74.31 111.044 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -87.22 168.13 7.69 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 123.025 2.483 . . . . 73.32 113.016 -177.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.508 HD13 ' N ' ' A' ' 16' ' ' THR . 1.4 tm? -82.17 141.38 33.1 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.958 -0.756 . . . . 70.54 108.958 177.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.508 ' N ' HD13 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -75.19 35.45 0.11 Allowed 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.173 0.511 . . . . 73.22 111.899 -176.745 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -144.15 80.47 0.23 Allowed Glycine 0 N--CA 1.446 -0.687 0 N-CA-C 111.515 -0.634 . . . . 74.13 111.515 -178.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -90.57 119.28 69.09 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 110.107 -0.331 . . . . 73.41 110.107 -179.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.05 110.86 0.74 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 123.065 2.51 . . . . 55.24 113.029 -177.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.98 25.78 9.46 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.094 -0.574 . . . . 75.32 111.738 176.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.3 154.72 44.57 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.439 -0.578 . . . . 73.34 109.439 177.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.43 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 86.9 mt -123.18 149.81 58.31 Favored Pre-proline 0 C--N 1.323 -0.572 0 O-C-N 123.101 0.251 . . . . 74.13 110.859 -176.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.552 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 58.7 Cg_endo -74.63 147.64 35.93 Favored 'Trans proline' 0 N--CA 1.46 -0.457 0 C-N-CA 122.573 2.182 . . . . 64.44 111.156 172.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.09 -6.25 52.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.118 0.485 . . . . 52.11 111.115 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.427 ' O ' ' HG3' ' A' ' 29' ' ' MET . 14.2 m120 -96.96 33.86 1.82 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.065 -0.516 . . . . 71.5 110.572 -176.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.552 ' HG ' ' O ' ' A' ' 23' ' ' PRO . 96.6 mt -58.25 -32.44 68.36 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 112.27 0.47 . . . . 73.25 112.27 -177.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -82.26 -26.72 32.94 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.808 -0.357 . . . . 71.42 110.739 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.4 ' HB3' ' HB3' ' A' ' 25' ' ' ASN . 18.7 t70 -71.13 -31.18 67.42 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-O 121.418 0.628 . . . . 75.55 109.637 174.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.488 ' O ' ' HE3' ' A' ' 49' ' ' LYS . 87.8 mtp -64.73 145.02 56.82 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.101 -0.954 . . . . 73.42 110.192 176.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.441 ' HB2' ' OE1' ' A' ' 33' ' ' GLU . 38.1 mttp -85.09 178.53 7.51 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.162 -0.472 . . . . 73.43 110.019 -178.164 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.6 t -64.27 -29.32 47.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.17 -0.468 . . . . 75.24 110.399 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.0 -59.38 3.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.976 -0.556 . . . . 63.5 111.636 -178.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.441 ' OE1' ' HB2' ' A' ' 30' ' ' LYS . 1.2 pm0 -61.95 -32.06 72.45 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.883 0.327 . . . . 74.15 111.883 -179.575 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 73.2 mt -62.03 -43.33 99.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.899 0.38 . . . . 63.32 110.379 175.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.412 ' HE2' ' O ' ' A' ' 45' ' ' VAL . 98.2 mttt -67.89 -34.99 77.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 75.54 110.503 177.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -59.0 -47.73 84.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.769 0.318 . . . . 70.4 110.385 175.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.6 mm-40 -59.23 -31.06 68.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.007 -0.542 . . . . 72.51 111.358 178.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.519 HD22 ' HD2' ' A' ' 55' ' ' ARG . 88.4 mt -77.68 -55.16 5.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.325 -0.398 . . . . 71.32 111.271 179.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -64.57 -28.87 69.93 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.059 0.392 . . . . 65.34 112.059 -173.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 80.8 mt -76.93 -10.49 59.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.893 0.378 . . . . 75.32 111.076 179.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 77.3 mtt85 -116.92 14.58 15.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.325 -0.398 . . . . 73.55 110.839 179.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.6 m 64.29 37.88 8.31 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.856 -0.611 . . . . 72.41 111.287 179.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.424 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 29.4 mt -107.27 150.1 39.55 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.743 -0.662 . . . . 73.12 110.148 177.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 43' ' ' LEU . 23.6 Cg_exo -65.17 128.74 21.18 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.699 2.266 . . . . 72.32 111.577 175.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.412 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 33.1 m -93.87 7.75 5.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.964 0.411 . . . . 64.23 111.598 -174.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 25.0 m -84.74 140.32 31.35 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.379 -0.373 . . . . 74.43 110.673 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 136.83 174.08 13.17 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.915 -0.659 . . . . 52.25 112.261 -179.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.635 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 36.9 p -90.4 -175.97 4.64 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 122.199 0.2 . . . . 71.23 111.212 178.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.533 ' HE2' HD11 ' A' ' 53' ' ' ILE . 23.7 tptm -52.82 -61.39 2.32 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 122.588 0.355 . . . . 72.43 111.823 -175.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 21.5 m -60.49 -37.22 80.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.534 -0.303 . . . . 55.53 111.66 -177.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -64.39 -42.63 96.01 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.664 -0.244 . . . . 64.35 111.305 -177.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.635 ' HG ' ' O ' ' A' ' 48' ' ' THR . 64.7 mt -62.42 -44.26 96.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.144 0.497 . . . . 75.53 110.082 178.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.533 HD11 ' HE2' ' A' ' 49' ' ' LYS . 67.3 mt -60.44 -49.26 85.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.451 -0.795 . . . . 72.13 110.713 177.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -65.64 -40.06 92.1 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.562 -0.744 . . . . 75.42 111.465 -174.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.519 ' HD2' HD22 ' A' ' 38' ' ' LEU . 41.3 ttm-85 -61.38 -41.1 96.54 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.773 0.32 . . . . 60.45 110.153 178.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 77.3 mt -59.09 -47.06 86.64 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.071 -0.513 . . . . 74.24 110.404 175.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.9 mtp85 -60.14 -44.28 95.06 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.699 -0.682 . . . . 74.42 111.376 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.63 -33.29 75.33 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.057 0.456 . . . . 73.15 111.247 179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 90.9 t80 -70.92 -43.55 68.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.123 -0.49 . . . . 73.23 110.532 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.43 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 17.7 tm0? -69.29 -35.97 76.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.154 0.502 . . . . 61.12 110.013 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -63.44 -43.27 97.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.461 -0.79 . . . . 70.43 111.269 -177.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -74.54 -14.7 60.83 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.343 -0.39 . . . . 60.34 111.61 -176.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 75.7 mt -86.72 -43.24 15.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.026 0.441 . . . . 73.43 110.237 177.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.413 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 20.4 m -70.32 145.25 93.05 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.837 -0.62 . . . . 61.25 110.907 -178.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 64' ' ' SER . 17.4 Cg_exo -67.55 103.5 0.82 Allowed 'Trans proline' 0 N--CA 1.461 -0.393 0 C-N-CA 122.46 2.107 . . . . 73.55 111.015 174.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.7 m -133.18 154.55 81.21 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.04 -0.527 . . . . 73.52 110.209 -177.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -61.72 113.51 1.86 Allowed 'Trans proline' 0 C--O 1.233 0.257 0 C-N-CA 122.631 2.221 . . . . 64.11 111.824 178.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.0 -73.52 1.14 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.914 -0.66 . . . . 75.13 112.048 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 70.88 149.25 0.12 Allowed Pre-proline 0 N--CA 1.468 0.461 0 C-N-CA 123.428 0.691 . . . . 60.43 111.512 -179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -59.55 118.63 5.54 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.568 2.179 . . . . 65.43 111.315 176.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 24.0 ttmm -87.8 93.35 9.43 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.771 0.319 . . . . 73.31 110.825 -175.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 55.12 79.35 0.34 Allowed Pre-proline 0 C--O 1.232 0.176 0 CA-C-N 115.388 -0.824 . . . . 70.53 111.818 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 8.6 Cg_exo -72.25 98.55 0.93 Allowed 'Trans proline' 0 N--CA 1.461 -0.435 0 C-N-CA 122.644 2.229 . . . . 41.33 111.885 179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -166.16 157.04 13.04 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.161 -0.472 . . . . 62.24 109.903 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.68 -0.676 . . . . 73.31 110.596 -178.727 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.6 mtp . . . . . 0 N--CA 1.481 1.107 0 N-CA-C 110.033 -0.358 . . . . 75.02 110.033 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -168.88 117.98 0.75 Allowed Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.674 -0.774 . . . . 75.45 112.959 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.7 t-80 -100.48 -4.05 29.57 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.712 -0.847 . . . . 65.12 108.712 173.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -54.37 136.83 43.22 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 114.387 -1.278 . . . . 71.31 111.706 178.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.4 p-80 -152.55 125.2 8.33 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.782 -0.644 . . . . 64.43 110.598 -177.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -88.98 121.97 31.87 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.824 -0.435 . . . . 75.43 109.824 174.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -152.57 129.57 11.06 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.824 -0.436 . . . . 65.01 109.824 -179.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -75.87 -165.06 0.41 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.183 -0.462 . . . . 61.42 110.6 178.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.4 t -58.68 120.73 9.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.062 0.458 . . . . 75.0 109.97 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -85.15 155.08 21.61 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.876 -0.602 . . . . 73.32 110.64 -176.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 22.2 ptp -77.39 143.07 38.95 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.372 -0.603 . . . . 72.41 109.372 175.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.2 t -72.04 142.94 49.27 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.164 0.507 . . . . 74.4 111.264 -175.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.7 m -126.55 119.49 23.03 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.544 -0.753 . . . . 63.31 109.834 175.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -60.97 109.68 0.73 Allowed 'Trans proline' 0 N--CA 1.465 -0.199 0 C-N-CA 122.916 2.41 . . . . 71.12 111.657 179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 tt -91.86 95.03 9.61 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.145 0.498 . . . . 50.43 109.82 -177.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 t -134.47 116.33 15.0 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.735 -0.666 . . . . 73.43 109.39 176.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 88.47 -173.65 42.46 Favored Glycine 0 N--CA 1.444 -0.771 0 C-N-CA 120.688 -0.768 . . . . 75.15 112.087 -178.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 ptpt -165.87 102.98 0.72 Allowed Pre-proline 0 C--N 1.324 -0.519 0 N-CA-C 109.627 -0.509 . . . . 73.23 109.627 177.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -55.17 134.1 61.87 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 122.721 2.281 . . . . 63.04 112.412 -177.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.421 ' O ' ' HG2' ' A' ' 60' ' ' GLN . . . -103.5 -50.02 1.07 Allowed Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.719 -0.753 . . . . 24.04 111.867 179.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.32 172.25 13.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.789 0.328 . . . . 64.22 110.95 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 97.3 mt -114.95 137.38 22.84 Favored Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 116.337 -0.392 . . . . 75.51 110.507 -178.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.523 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 58.4 Cg_endo -73.9 164.81 33.67 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.306 2.004 . . . . 74.31 111.632 175.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.94 -8.25 59.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.296 0.57 . . . . 71.43 111.037 -178.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -95.88 23.28 6.46 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.089 -0.505 . . . . 74.45 111.829 -176.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 23' ' ' PRO . 77.1 mt -51.0 -47.07 61.63 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.395 0.517 . . . . 72.0 112.395 -176.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -83.59 -26.14 30.27 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.987 0.422 . . . . 71.32 111.015 -177.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -78.08 -34.48 50.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.62 -0.718 . . . . 72.11 111.271 -176.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 76.2 mtp -61.51 154.2 25.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.887 -0.597 . . . . 74.23 110.72 179.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.53 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 9.4 mptt -80.78 167.68 19.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.975 -0.557 . . . . 53.01 110.828 -175.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.532 HG22 ' HD3' ' A' ' 49' ' ' LYS . 59.4 t -53.9 -45.84 63.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.911 -0.586 . . . . 62.01 110.711 177.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' A' ' 36' ' ' GLN . . . -62.64 -43.07 99.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.887 -0.597 . . . . 63.14 111.042 179.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.53 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 11.5 mm-40 -61.01 -38.87 87.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.316 -0.402 . . . . 72.44 111.129 -178.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 93.0 mt -70.8 -36.47 73.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.097 -0.501 . . . . 72.5 110.719 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -72.84 -25.28 61.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.361 -0.381 . . . . 63.44 110.71 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 15.0 mm100 -63.03 -38.78 92.57 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.771 -0.455 . . . . 71.41 109.771 172.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -64.56 -48.38 75.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.795 -0.639 . . . . 54.01 110.329 175.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.489 HD11 HD22 ' A' ' 52' ' ' LEU . 96.0 mt -56.67 -50.3 72.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.94 -0.573 . . . . 61.35 111.515 -177.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -64.22 -26.04 68.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.462 -0.336 . . . . 51.21 111.402 -176.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.5 mt -86.83 -26.78 23.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.801 0.334 . . . . 60.05 111.321 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 41' ' ' ARG . 48.9 mtt180 -98.94 15.08 26.8 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.354 -0.384 . . . . 70.54 111.239 -175.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.5 m 65.5 31.36 10.2 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.317 0.579 . . . . 60.04 111.231 177.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 32.7 mt -105.94 149.48 38.1 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 115.614 -0.721 . . . . 53.44 110.528 -178.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_endo -64.9 131.72 29.95 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.41 2.073 . . . . 61.35 111.767 176.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.1 m -89.24 4.5 5.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.885 0.374 . . . . 54.12 111.551 -177.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.4 m -81.57 120.66 25.33 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.218 -0.446 . . . . 70.44 110.247 176.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 156.33 164.64 13.6 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.488 -0.863 . . . . 52.51 112.597 178.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.718 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 25.7 p -91.34 173.71 7.77 Favored 'General case' 0 C--N 1.323 -0.565 0 C-N-CA 122.257 0.223 . . . . 61.55 111.103 178.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.532 ' HD3' HG22 ' A' ' 31' ' ' VAL . 29.0 tptp -51.78 -46.29 64.1 Favored 'General case' 0 N--CA 1.467 0.376 0 C-N-CA 123.04 0.536 . . . . 64.32 111.898 -174.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 15.2 m -65.7 -42.01 91.69 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.134 -0.485 . . . . 73.24 111.334 -178.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.51 -35.58 79.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 60.21 111.146 -175.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.718 ' HG ' ' O ' ' A' ' 48' ' ' THR . 55.7 mt -59.78 -42.63 93.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.001 -0.545 . . . . 73.23 110.359 -179.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 63.3 mt -67.14 -45.37 86.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.887 -0.597 . . . . 74.23 110.898 -178.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.48 -38.09 89.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 74.44 110.62 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.4 ttm180 -63.96 -41.68 97.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.907 -0.588 . . . . 74.51 110.849 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 92.3 mt -64.25 -41.27 97.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.382 -0.372 . . . . 64.25 110.538 177.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -61.6 -52.7 63.32 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.918 -0.583 . . . . 53.24 110.932 178.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.86 -26.26 68.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.099 0.476 . . . . 75.22 111.443 -179.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.42 ' O ' HG13 ' A' ' 63' ' ' ILE . 73.7 t80 -71.23 -52.63 17.98 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.713 -0.676 . . . . 72.32 110.671 178.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -62.55 -40.41 96.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.389 0.614 . . . . 64.21 109.391 179.125 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -54.65 -47.49 73.46 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.156 -0.929 . . . . 74.44 111.994 -178.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -74.49 -16.58 60.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.622 0.249 . . . . 63.22 110.914 -176.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 59' ' ' TYR . 73.5 mt -83.7 -73.53 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.923 -0.399 . . . . 73.23 109.923 176.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.469 ' HA ' ' HD2' ' A' ' 65' ' ' PRO . 65.1 m 61.8 111.17 0.03 OUTLIER Pre-proline 0 CA--C 1.536 0.405 0 O-C-N 124.08 0.862 . . . . 61.13 111.622 -178.053 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.469 ' HD2' ' HA ' ' A' ' 64' ' ' SER . 11.6 Cg_endo -55.35 130.78 42.45 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.784 2.323 . . . . 64.35 112.327 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.742 HG23 ' HA ' ' A' ' 69' ' ' ALA . 12.1 m -68.21 134.32 91.41 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 115.963 -0.562 . . . . 74.04 111.478 -177.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.479 ' HD3' ' HA ' ' A' ' 66' ' ' VAL . 30.4 Cg_exo -61.93 110.57 1.01 Allowed 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.06 2.507 . . . . 73.12 112.703 -177.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.5 -1.55 88.73 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 121.029 -0.605 . . . . 72.25 112.762 177.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.742 ' HA ' HG23 ' A' ' 66' ' ' VAL . . . 63.88 171.23 0.09 OUTLIER Pre-proline 0 CA--C 1.536 0.411 0 C-N-CA 122.698 0.399 . . . . 42.11 111.099 -178.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.559 ' HD2' ' HB1' ' A' ' 69' ' ' ALA . 11.2 Cg_endo -57.06 111.55 0.84 Allowed 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 121.885 1.723 . . . . 70.34 110.7 169.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -143.35 150.81 39.67 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.281 -0.418 . . . . 71.15 110.336 -173.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.625 ' HB3' ' HB3' ' A' ' 75' ' ' ALA . . . -100.39 152.9 37.96 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 116.163 -0.471 . . . . 74.43 110.628 -177.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -58.49 121.8 10.59 Favored 'Trans proline' 0 C--O 1.234 0.307 0 C-N-CA 122.761 2.307 . . . . 45.31 111.844 178.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 64.21 20.34 12.14 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.769 -0.65 . . . . 54.53 111.886 178.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.625 ' HB3' ' HB3' ' A' ' 72' ' ' ALA . . . . . . . . 0 C--O 1.247 0.956 0 CA-C-O 118.157 -0.925 . . . . 36.43 110.118 177.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.8 ptp . . . . . 0 N--CA 1.483 1.177 0 CA-C-O 120.789 0.328 . . . . 52.54 110.721 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.18 -14.61 68.68 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.971 -0.633 . . . . 55.13 112.973 -175.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.2 p-80 -132.5 141.72 48.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.923 0.362 . . . . 72.31 110.642 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -99.9 -69.67 0.76 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.487 -0.324 . . . . 74.03 111.451 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.6 p80 -155.11 110.56 3.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.696 0.76 . . . . 74.42 112.226 -179.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -137.75 105.17 5.51 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.076 -1.083 . . . . 65.12 108.076 169.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -114.92 144.33 43.73 Favored 'General case' 0 C--N 1.319 -0.718 0 C-N-CA 120.792 -0.363 . . . . 73.02 111.057 -172.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.8 m170 -83.16 155.45 23.76 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.013 -0.54 . . . . 75.25 109.58 175.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 13.3 p -70.28 -29.49 66.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.353 0.597 . . . . 74.45 110.075 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.7 m80 -122.79 107.73 12.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.625 -0.716 . . . . 75.14 109.818 174.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 52.4 ttm -81.27 -56.88 3.77 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.264 -0.426 . . . . 72.01 109.98 -179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.0 p -116.33 100.23 7.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.038 -0.528 . . . . 14.53 110.431 179.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.461 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 3.5 m -101.58 117.99 60.69 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.1 -0.5 . . . . 73.42 110.158 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 4.3 Cg_exo -75.46 111.02 3.21 Favored 'Trans proline' 0 N--CA 1.461 -0.412 0 C-N-CA 122.865 2.377 . . . . 73.33 112.162 179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.86 -33.3 75.38 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.434 0.635 . . . . 63.24 109.878 176.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.9 t -139.46 132.43 29.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.555 -0.748 . . . . 62.1 109.144 174.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.29 122.04 5.73 Favored Glycine 0 N--CA 1.445 -0.761 0 C-N-CA 120.644 -0.788 . . . . 52.44 112.694 -175.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.412 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 4.2 mptp? -69.82 140.73 89.19 Favored Pre-proline 0 C--N 1.326 -0.43 0 N-CA-C 109.555 -0.535 . . . . 72.04 109.555 175.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 18' ' ' LYS . 34.9 Cg_exo -62.23 176.34 1.58 Allowed 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.881 2.388 . . . . 71.1 112.501 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.73 54.32 1.67 Allowed Glycine 0 CA--C 1.519 0.3 0 CA-C-N 116.278 -0.419 . . . . 61.14 112.988 -179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -149.13 179.09 8.16 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.311 -0.626 . . . . 70.24 109.311 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.478 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 80.8 mt -120.72 152.26 55.59 Favored Pre-proline 0 C--N 1.318 -0.764 0 CA-C-N 116.579 -0.282 . . . . 75.25 110.311 -178.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -63.04 131.81 34.19 Favored 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.167 1.911 . . . . 75.04 110.808 171.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -74.42 9.23 1.8 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.899 0.38 . . . . 71.13 112.005 -176.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.438 ' HB3' ' HB2' ' A' ' 28' ' ' ASP . 17.6 m120 -125.48 46.41 2.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.455 -0.339 . . . . 72.1 110.876 -179.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 95.7 mt -63.91 -31.32 72.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.165 0.507 . . . . 54.02 109.885 177.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -66.43 -30.36 70.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.598 -0.728 . . . . 75.44 110.928 178.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.438 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 4.0 m-20 -79.39 -17.59 54.08 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.854 -0.612 . . . . 72.33 111.079 -179.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 86.6 mtp -83.73 160.13 21.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.074 -0.512 . . . . 75.24 110.788 -176.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.501 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 43.1 mttp -78.1 174.57 11.0 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.003 0.43 . . . . 72.53 110.316 178.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.497 HG12 ' HE3' ' A' ' 35' ' ' LYS . 61.3 t -65.88 -45.22 91.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.923 -0.581 . . . . 75.41 109.772 174.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.92 -36.92 84.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.918 -0.583 . . . . 50.23 111.114 178.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.501 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 81.0 mm-40 -60.24 -42.17 94.69 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.285 -0.416 . . . . 62.44 110.593 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.425 HD13 ' HB2' ' A' ' 52' ' ' LEU . 94.0 mt -67.14 -38.78 86.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.85 -0.614 . . . . 65.11 110.238 179.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.533 ' HA ' HD12 ' A' ' 38' ' ' LEU . 99.5 mttt -62.75 -35.6 80.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 71.31 110.698 177.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -63.36 -41.33 98.82 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.332 -0.394 . . . . 70.24 110.483 175.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -65.75 -32.46 74.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.068 -0.515 . . . . 71.21 110.944 176.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.533 HD12 ' HA ' ' A' ' 35' ' ' LYS . 72.8 mt -73.44 -52.11 14.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.952 -0.567 . . . . 72.45 111.502 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -63.13 -24.84 68.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.453 -0.34 . . . . 72.51 111.84 -174.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.4 mt -78.82 -14.75 59.09 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.758 0.313 . . . . 74.14 111.147 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 71.4 mtt85 -120.75 18.4 11.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.37 -0.377 . . . . 70.43 111.035 -177.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 33.1 t 65.79 26.07 11.29 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.787 -0.642 . . . . 73.12 111.432 176.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.439 ' HB3' HD22 ' A' ' 38' ' ' LEU . 40.5 mt -96.71 143.62 26.44 Favored Pre-proline 0 C--N 1.321 -0.653 0 CA-C-N 116.091 -0.504 . . . . 74.44 110.545 179.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -60.6 122.84 11.89 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.895 2.397 . . . . 71.11 112.272 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.0 m -85.72 21.51 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.78 -0.646 . . . . 70.45 111.833 -175.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 16.6 t -112.55 132.97 54.85 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.897 0.379 . . . . 72.32 110.184 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.08 178.18 23.89 Favored Glycine 0 N--CA 1.445 -0.716 0 CA-C-N 115.853 -0.612 . . . . 34.31 111.628 -179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.658 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 33.7 p -87.27 171.93 10.26 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.423 0.154 . . . . 73.1 110.673 178.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.541 ' HE2' HD11 ' A' ' 53' ' ' ILE . 24.0 tptm -49.65 -48.42 49.34 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.273 -0.421 . . . . 45.23 110.657 175.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 1.1 p -64.89 -43.98 91.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.841 -0.618 . . . . 73.05 111.473 179.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -58.24 -47.64 82.9 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.807 0.299 . . . . 73.54 111.807 179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' ' 48' ' ' THR . 36.1 mt -62.62 -42.72 99.74 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.604 -0.271 . . . . 74.24 110.769 -176.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.541 HD11 ' HE2' ' A' ' 49' ' ' LYS . 77.0 mt -62.3 -50.83 78.36 Favored 'Isoleucine or valine' 0 C--O 1.235 0.3 0 CA-C-N 116.305 -0.407 . . . . 73.33 110.811 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.41 ' HA ' ' OE1' ' A' ' 54' ' ' GLU . 7.3 mm-40 -66.51 -35.27 79.83 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.942 -0.572 . . . . 73.13 111.296 -177.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.8 ttm-85 -66.89 -39.68 87.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.927 0.394 . . . . 72.45 110.429 -179.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.4 ' HB3' HD13 ' A' ' 22' ' ' LEU . 58.1 mt -64.65 -50.86 65.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.966 -0.561 . . . . 62.23 110.217 173.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.429 ' HD3' HG22 ' A' ' 53' ' ' ILE . 4.5 mtp85 -59.65 -44.51 93.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.744 -0.662 . . . . 65.15 111.848 -177.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.62 -33.88 76.93 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.848 0.356 . . . . 64.23 111.292 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.451 ' O ' HG13 ' A' ' 63' ' ' ILE . 71.6 t80 -70.99 -43.22 68.46 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.378 -0.374 . . . . 74.22 110.238 178.566 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.478 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 17.2 tm0? -70.73 -31.76 68.71 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.034 0.445 . . . . 74.43 110.042 -179.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -60.68 -46.63 89.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.864 -0.607 . . . . 73.23 111.509 179.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -75.83 -18.43 59.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.831 0.348 . . . . 61.42 111.302 -177.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 59' ' ' TYR . 81.2 mt -71.15 -38.39 70.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.528 0.68 . . . . 65.32 109.487 172.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.408 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 19.5 m -71.79 146.82 91.21 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.147 -0.933 . . . . 65.11 110.454 -179.251 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 64' ' ' SER . 34.4 Cg_exo -61.22 115.09 2.51 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.675 2.25 . . . . 62.01 111.596 177.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 35.3 m -84.98 134.18 41.78 Favored Pre-proline 0 C--N 1.321 -0.67 0 CA-C-N 116.159 -0.473 . . . . 74.33 110.245 -178.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.36 42.62 1.05 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 123.11 2.54 . . . . 72.34 112.672 -179.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 84.97 98.4 0.68 Allowed Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.264 -0.735 . . . . 54.22 111.264 -176.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.421 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . . . -152.69 144.58 16.59 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-O 120.374 0.131 . . . . 64.44 110.763 -176.117 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 69' ' ' ALA . 32.2 Cg_exo -59.49 118.49 5.39 Favored 'Trans proline' 0 C--O 1.236 0.418 0 C-N-CA 122.697 2.265 . . . . 71.24 111.502 176.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 57.1 tttm -74.56 91.01 2.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.399 0.619 . . . . 71.21 110.719 -176.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -149.57 87.69 5.13 Favored Pre-proline 0 C--N 1.321 -0.652 0 CA-C-N 115.221 -0.9 . . . . 62.03 109.644 176.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 4.2 Cg_exo -74.64 140.05 26.07 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 123.013 2.475 . . . . 64.53 112.446 -177.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.22 127.02 36.02 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.998 -0.547 . . . . 72.03 110.469 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.968 0 CA-C-O 118.533 -0.746 . . . . 65.31 110.222 -178.494 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.479 0.994 0 CA-C-O 120.77 0.319 . . . . 53.01 110.457 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 120.99 78.48 0.51 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.72 -0.753 . . . . 71.34 112.302 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -86.86 -6.89 58.65 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.959 0.409 . . . . 73.33 110.76 -178.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 79.3 m-70 -101.87 35.37 2.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.904 0.383 . . . . 74.23 110.908 -178.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -58.62 -44.36 89.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.636 -0.711 . . . . 63.12 111.026 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -105.61 28.84 7.07 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 116.023 -0.535 . . . . 75.41 110.206 -177.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.444 ' O ' ' HB2' ' A' ' 8' ' ' HIS . 20.3 t-80 -147.34 48.16 1.12 Allowed 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.594 -0.443 . . . . 73.23 110.598 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.444 ' HB2' ' O ' ' A' ' 7' ' ' HIS . 27.1 t-80 174.88 -29.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.87 -0.604 . . . . 54.24 110.114 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.6 m -80.33 73.17 7.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.922 -0.581 . . . . 73.43 111.888 -174.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -132.24 110.74 10.84 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.319 -0.401 . . . . 74.43 110.084 173.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 53.7 ttm -149.62 118.07 6.5 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.035 -0.53 . . . . 63.45 110.044 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.8 m -72.55 115.75 12.19 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.017 -0.538 . . . . 74.4 110.687 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.4 ' CB ' ' HD2' ' A' ' 14' ' ' PRO . 0.4 OUTLIER -75.4 164.23 62.35 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 115.939 -0.573 . . . . 71.25 110.724 178.148 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.4 ' HD2' ' CB ' ' A' ' 13' ' ' THR . 9.2 Cg_endo -52.42 129.84 33.5 Favored 'Trans proline' 0 C--N 1.351 0.666 0 C-N-CA 123.086 2.524 . . . . 71.34 113.117 -176.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.522 HD22 HD22 ' A' ' 40' ' ' LEU . 54.7 tp -96.71 92.0 5.98 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.355 -0.839 . . . . 74.41 109.931 177.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.5 p -119.66 150.12 40.87 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.035 -0.529 . . . . 62.21 111.333 -177.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 84.73 55.0 2.78 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.056 -0.592 . . . . 50.52 113.013 175.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -158.57 152.59 19.79 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.744 0.272 . . . . 75.1 110.878 176.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -84.21 -166.69 0.38 Allowed 'Trans proline' 0 N--CA 1.461 -0.429 0 C-N-CA 122.748 2.299 . . . . 63.12 112.045 174.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.42 -21.62 8.26 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.418 -0.896 . . . . 75.05 112.163 178.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.592 ' HA ' ' OE1' ' A' ' 60' ' ' GLN . . . -65.39 170.94 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.688 0.625 . . . . 64.52 112.688 -175.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.438 ' CD1' ' HB3' ' A' ' 56' ' ' LEU . 73.3 mt -112.15 146.99 36.0 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.546 -0.752 . . . . 52.44 110.601 -179.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -71.65 157.04 56.64 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.372 2.048 . . . . 60.31 111.351 172.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.68 14.54 4.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.106 0.479 . . . . 43.34 111.332 -177.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.412 ' O ' ' HG3' ' A' ' 29' ' ' MET . 17.2 m120 -117.51 42.08 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.192 -0.458 . . . . 74.53 110.864 -179.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 97.3 mt -65.8 -29.4 69.88 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.045 -0.525 . . . . 61.3 111.297 -177.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -79.69 -23.46 42.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 72.23 110.845 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -80.49 -20.99 42.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.411 . . . . 75.23 110.794 177.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.412 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 86.7 mtp -72.32 152.26 42.21 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.088 -0.506 . . . . 63.43 110.082 178.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.564 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 8.7 mptt -82.41 163.28 21.76 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.888 -0.412 . . . . 71.34 109.888 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.512 HG22 ' HB2' ' A' ' 49' ' ' LYS . 81.1 t -55.19 -45.52 77.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.845 0.355 . . . . 74.45 111.062 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.7 -36.85 85.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.42 . . . . 63.32 111.227 179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.564 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 6.2 mm-40 -66.88 -38.12 85.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.902 0.382 . . . . 72.33 110.373 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 87.9 mt -63.55 -40.95 98.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.009 -0.542 . . . . 74.32 110.306 177.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.444 ' HA ' HD12 ' A' ' 38' ' ' LEU . 99.0 mttt -63.31 -31.34 72.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.978 -0.555 . . . . 74.35 110.681 177.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.4 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 16.6 mm100 -64.31 -45.16 89.14 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.397 -0.365 . . . . 71.23 110.418 177.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.582 ' CD ' HH12 ' A' ' 41' ' ' ARG . 4.9 mm-40 -65.29 -31.02 71.95 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.449 -0.341 . . . . 73.51 111.003 178.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 35' ' ' LYS . 89.6 mt -70.6 -56.15 7.16 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.136 -0.484 . . . . 73.42 111.056 176.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -60.7 -26.91 67.48 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.398 -0.365 . . . . 73.21 111.788 -174.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.522 HD22 HD22 ' A' ' 15' ' ' LEU . 97.2 mt -83.52 -16.87 43.87 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.834 0.35 . . . . 74.04 111.616 -178.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.582 HH12 ' CD ' ' A' ' 37' ' ' GLU . 77.5 mtt85 -110.53 20.69 17.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.677 -0.238 . . . . 72.1 111.039 -179.43 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.2 m 65.29 28.35 11.92 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.995 -0.548 . . . . 63.45 111.544 178.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.464 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 46.1 mt -102.31 141.36 22.37 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.924 -0.58 . . . . 72.34 110.597 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 43' ' ' LEU . 25.6 Cg_exo -63.98 138.64 63.6 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.882 2.388 . . . . 74.11 111.709 175.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 35.8 m -98.18 17.25 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.04 -0.527 . . . . 54.31 111.343 -176.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.2 p -89.39 121.93 32.11 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.237 -0.438 . . . . 73.41 111.314 -177.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 142.05 172.85 13.76 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.83 -0.7 . . . . 63.42 112.685 177.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.681 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 21.7 p -80.21 176.81 9.43 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 110.39 -0.226 . . . . 74.03 110.39 176.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.512 ' HB2' HG22 ' A' ' 31' ' ' VAL . 80.8 tttt -54.61 -51.69 64.56 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.465 0.174 . . . . 71.32 111.466 -176.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.0 m -59.15 -39.45 82.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 74.3 110.829 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -62.98 -40.34 97.45 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.01 -0.541 . . . . 73.03 110.932 178.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.681 ' HG ' ' O ' ' A' ' 48' ' ' THR . 44.7 mt -65.02 -45.67 84.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.039 -0.528 . . . . 63.34 110.052 179.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.48 ' O ' ' HD3' ' A' ' 57' ' ' ARG . 69.7 mt -60.59 -47.55 92.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.847 -0.615 . . . . 72.42 110.65 178.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -61.01 -40.04 92.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 71.35 111.487 179.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.441 ' HD3' ' HD2' ' A' ' 44' ' ' PRO . 36.5 ttm-85 -67.37 -37.87 83.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.864 0.364 . . . . 75.2 110.252 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.438 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . 66.1 mt -61.34 -46.79 88.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.005 -0.543 . . . . 75.13 110.493 174.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.48 ' HD3' ' O ' ' A' ' 53' ' ' ILE . 0.6 OUTLIER -63.23 -37.76 88.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.29 -0.414 . . . . 74.32 111.464 179.23 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.27 -33.69 76.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.071 0.462 . . . . 72.24 110.778 177.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.537 ' O ' HG12 ' A' ' 63' ' ' ILE . 75.2 t80 -78.66 -46.08 19.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.123 -0.49 . . . . 73.3 110.572 178.8 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.592 ' OE1' ' HA ' ' A' ' 21' ' ' ALA . 48.9 tp60 -65.04 -33.06 75.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.292 -0.413 . . . . 73.34 111.672 -178.142 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -64.88 -42.82 94.51 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.67 0.271 . . . . 63.01 111.182 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.529 ' HG2' ' O ' ' A' ' 59' ' ' TYR . 11.4 pt20 -76.09 -11.45 59.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.332 -0.394 . . . . 71.13 110.868 -177.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.537 HG12 ' O ' ' A' ' 59' ' ' TYR . 46.2 mm -64.31 -36.33 76.81 Favored 'Isoleucine or valine' 0 C--O 1.232 0.175 0 N-CA-C 109.508 -0.552 . . . . 73.11 109.508 174.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.2 t -87.0 141.29 33.1 Favored Pre-proline 0 C--N 1.324 -0.517 0 CA-C-N 115.501 -0.772 . . . . 71.11 109.188 175.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -51.63 115.13 1.91 Allowed 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 123.141 2.561 . . . . 73.21 112.52 179.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.401 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 11.0 m -116.09 151.56 46.76 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.873 -0.603 . . . . 71.44 110.436 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 66' ' ' VAL . 11.4 Cg_exo -71.92 -24.62 20.74 Favored 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 123.091 2.527 . . . . 62.3 112.994 -178.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -92.41 -67.94 1.12 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.844 -0.693 . . . . 55.42 112.16 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.472 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . . . 74.44 145.65 0.11 Allowed Pre-proline 0 N--CA 1.467 0.382 0 C-N-CA 123.757 0.823 . . . . 70.41 111.5 178.402 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 69' ' ' ALA . 26.4 Cg_exo -64.02 -179.76 0.88 Allowed 'Trans proline' 0 C--O 1.237 0.447 0 C-N-CA 123.119 2.546 . . . . 74.45 112.761 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.92 37.08 21.73 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 115.803 -0.635 . . . . 71.44 110.552 -176.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -94.82 157.18 37.23 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 115.558 -0.747 . . . . 61.44 109.962 177.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 11.5 Cg_endo -55.47 150.26 43.37 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.787 2.325 . . . . 64.34 112.288 178.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -87.73 7.74 28.85 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.096 -0.502 . . . . 51.11 111.497 -176.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.156 0 CA-C-O 118.283 -0.865 . . . . 39.03 110.412 -179.546 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 75.0 mtp . . . . . 0 N--CA 1.478 0.936 0 CA-C-O 120.935 0.398 . . . . 71.34 110.33 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 94.41 173.14 38.46 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.773 -0.727 . . . . 74.11 112.978 177.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -157.47 130.64 7.72 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.135 -0.691 . . . . 64.14 109.135 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -136.73 96.81 3.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.895 0.378 . . . . 72.31 110.95 -176.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.8 m-70 -135.28 109.3 8.2 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.106 -0.497 . . . . 75.24 111.055 177.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -108.85 107.79 18.33 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.694 -0.684 . . . . 73.21 109.567 175.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -72.32 86.43 1.11 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.084 -0.507 . . . . 64.35 110.25 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -94.51 -34.15 12.8 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.372 -0.603 . . . . 64.15 109.372 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.8 m -76.07 107.29 8.19 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.633 -0.877 . . . . 42.04 108.633 173.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.8 t-160 -59.02 -52.19 66.81 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.114 -0.493 . . . . 74.45 111.661 -171.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 45.4 ttm -173.99 108.82 0.14 Allowed 'General case' 0 C--N 1.327 -0.392 0 O-C-N 123.192 0.308 . . . . 74.12 110.409 -175.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.7 p -76.57 103.81 6.76 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.258 0.551 . . . . 61.14 110.235 176.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.0 m -99.24 125.99 39.47 Favored Pre-proline 0 C--N 1.323 -0.557 0 CA-C-N 115.981 -0.554 . . . . 74.21 111.279 -174.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -83.35 158.7 14.89 Favored 'Trans proline' 0 N--CA 1.456 -0.681 0 C-N-CA 122.764 2.309 . . . . 75.1 112.5 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -133.63 120.4 20.63 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.55 -0.537 . . . . 54.25 109.55 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 8.9 t -164.05 149.54 10.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.195 -0.457 . . . . 54.05 110.181 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 143.09 164.68 10.33 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 121.079 -0.582 . . . . 41.2 112.027 178.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.538 ' HE2' ' HB3' ' A' ' 40' ' ' LEU . 99.6 mttt 68.99 98.51 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.342 0 C-N-CA 123.077 0.551 . . . . 75.33 111.128 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_exo -76.71 154.89 34.92 Favored 'Trans proline' 0 N--CA 1.461 -0.427 0 C-N-CA 122.977 2.451 . . . . 75.2 112.012 177.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.82 -40.66 25.5 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.587 -0.816 . . . . 65.12 111.326 176.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.47 -159.79 0.71 Allowed 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.784 -0.45 . . . . 71.51 109.784 177.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.547 HD13 ' HB3' ' A' ' 56' ' ' LEU . 89.8 mt -121.93 150.56 56.3 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.885 -0.413 . . . . 62.12 109.885 176.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -74.72 157.22 44.11 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.271 1.98 . . . . 71.21 111.292 173.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -73.32 -14.96 61.4 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.67 0.747 . . . . 64.31 110.169 177.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.897 ' HB3' ' HB3' ' A' ' 28' ' ' ASP . 4.2 m-20 -93.44 41.34 1.08 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.352 -0.84 . . . . 74.34 111.646 -175.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 57.3 mt -63.56 -35.21 79.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.787 0.327 . . . . 73.25 111.013 178.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -81.66 -21.14 38.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.228 0.537 . . . . 71.1 110.386 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.897 ' HB3' ' HB3' ' A' ' 25' ' ' ASN . 35.2 t70 -76.73 -24.54 53.04 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.65 -0.705 . . . . 73.55 109.433 177.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 85.8 mtp -79.24 153.86 29.63 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.515 -0.766 . . . . 71.51 109.835 173.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.464 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 44.9 mttp -86.55 176.69 7.69 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.883 0.373 . . . . 73.33 110.684 -178.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.443 HG13 HD11 ' A' ' 52' ' ' LEU . 69.1 t -62.5 -36.09 73.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.768 -0.651 . . . . 64.11 110.453 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.99 -59.11 4.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.865 -0.607 . . . . 54.24 111.855 -177.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.405 ' OE1' ' HB2' ' A' ' 30' ' ' LYS . 1.0 OUTLIER -61.71 -29.31 70.02 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 112.002 0.371 . . . . 61.35 112.002 -179.257 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 65.3 mt -64.8 -41.02 96.14 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.77 -0.372 . . . . 75.3 110.328 175.306 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.514 ' HA ' HD12 ' A' ' 38' ' ' LEU . 98.4 mttt -70.31 -28.95 65.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.421 . . . . 71.23 110.852 177.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -60.15 -44.46 94.95 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.494 -0.321 . . . . 73.52 110.401 177.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -60.33 -48.84 80.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.027 0.441 . . . . 74.21 110.409 174.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.548 ' HA ' ' HB2' ' A' ' 43' ' ' LEU . 76.1 mt -57.51 -51.77 68.1 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.84 -0.618 . . . . 54.04 111.746 -177.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.483 ' HB3' HG11 ' A' ' 45' ' ' VAL . 18.0 ptmt -70.97 -19.26 62.57 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.796 0.331 . . . . 72.24 111.768 -173.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.538 ' HB3' ' HE2' ' A' ' 18' ' ' LYS . 64.9 mt -87.01 -32.28 20.11 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.824 0.345 . . . . 70.21 111.187 176.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.4 mtp180 -103.87 24.92 10.53 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.319 -0.4 . . . . 60.5 111.573 -172.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.1 t 63.62 39.0 9.14 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 121.562 0.696 . . . . 61.34 111.174 173.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.548 ' HB2' ' HA ' ' A' ' 38' ' ' LEU . 40.9 mt -116.51 146.22 37.01 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 115.814 -0.63 . . . . 74.12 110.605 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.551 ' HD2' ' HD3' ' A' ' 55' ' ' ARG . 30.7 Cg_exo -62.62 120.86 8.57 Favored 'Trans proline' 0 C--O 1.235 0.346 0 C-N-CA 122.704 2.269 . . . . 65.01 111.984 175.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.543 HG12 ' HB2' ' A' ' 38' ' ' LEU . 33.4 m -83.66 -13.7 11.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.309 -0.405 . . . . 55.54 111.446 -178.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.6 p -71.68 130.56 41.46 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.21 -0.45 . . . . 42.03 110.768 -178.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 142.5 167.36 11.38 Favored Glycine 0 N--CA 1.444 -0.768 0 C-N-CA 120.984 -0.627 . . . . 73.12 112.027 -179.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.686 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 12.7 p -87.38 -178.12 6.09 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 122.175 0.19 . . . . 64.3 110.989 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.523 ' HE2' HD11 ' A' ' 53' ' ' ILE . 24.3 tptm -53.63 -47.38 70.33 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.508 -0.315 . . . . 61.42 110.968 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.4 m -60.91 -44.55 97.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.062 -0.517 . . . . 75.1 110.864 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -59.51 -47.91 83.68 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.076 -0.511 . . . . 60.11 110.971 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.686 ' HG ' ' O ' ' A' ' 48' ' ' THR . 49.7 mt -58.4 -47.32 84.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.876 -0.602 . . . . 70.33 110.712 -177.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.523 HD11 ' HE2' ' A' ' 49' ' ' LYS . 81.7 mt -60.3 -51.56 71.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.978 -0.555 . . . . 65.41 111.104 -179.219 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -65.38 -40.4 93.48 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.76 0.281 . . . . 74.34 111.76 -177.025 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.551 ' HD3' ' HD2' ' A' ' 44' ' ' PRO . 36.0 ttm180 -62.69 -40.74 98.06 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.852 0.358 . . . . 72.24 110.554 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.547 ' HB3' HD13 ' A' ' 22' ' ' LEU . 65.2 mt -64.52 -45.24 88.08 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.106 -0.497 . . . . 65.11 110.702 175.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.8 mtp180 -58.18 -44.34 87.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 73.2 111.275 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.89 -37.56 81.89 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.357 -0.383 . . . . 62.15 110.972 179.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.411 ' CD2' HD11 ' A' ' 43' ' ' LEU . 48.3 t80 -67.95 -50.42 56.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 62.33 111.588 -179.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.5 -29.1 68.44 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 121.046 -0.262 . . . . 71.51 110.931 -176.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -55.14 -41.15 71.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.997 0.427 . . . . 62.44 110.881 178.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -67.03 -28.3 68.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.676 -0.693 . . . . 64.31 110.665 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 57.3 mt -81.76 -60.95 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.867 -0.606 . . . . 73.33 110.092 178.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 72.6 m -142.1 139.88 18.64 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 115.836 -0.62 . . . . 74.4 110.354 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -68.43 170.52 14.72 Favored 'Trans proline' 0 C--O 1.237 0.429 0 C-N-CA 122.401 2.067 . . . . 73.13 112.289 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 30.4 m -61.48 148.39 86.2 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.012 -0.54 . . . . 54.32 111.172 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.79 -59.35 0.21 Allowed 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.894 2.396 . . . . 64.12 112.606 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -143.17 87.16 0.18 Allowed Glycine 0 N--CA 1.446 -0.646 0 N-CA-C 111.392 -0.683 . . . . 75.42 111.392 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.472 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . . . 71.56 141.57 0.08 OUTLIER Pre-proline 0 N--CA 1.463 0.224 0 C-N-CA 123.392 0.677 . . . . 50.5 111.076 -176.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 69' ' ' ALA . 14.7 Cg_exo -68.84 109.8 2.21 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 122.616 2.21 . . . . 75.31 111.333 176.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -69.42 94.0 0.7 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.969 0.414 . . . . 61.43 110.821 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.523 ' N ' ' HD3' ' A' ' 73' ' ' PRO . . . -154.84 59.73 2.45 Favored Pre-proline 0 C--N 1.326 -0.45 0 CA-C-N 115.771 -0.65 . . . . 52.42 111.15 176.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.523 ' HD3' ' N ' ' A' ' 72' ' ' ALA . 37.1 Cg_endo -96.55 83.44 0.09 OUTLIER 'Trans proline' 0 N--CA 1.446 -1.292 0 C-N-CA 123.1 2.534 . . . . 73.42 111.061 176.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 55.69 66.79 1.13 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.34 0.591 . . . . 73.53 110.349 -173.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.077 0 CA-C-N 115.706 -0.679 . . . . 38.29 110.112 -177.131 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? . . . . . 0 N--CA 1.48 1.037 0 CA-C-O 120.8 0.333 . . . . 74.35 110.396 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 171.13 128.68 1.05 Allowed Glycine 0 N--CA 1.446 -0.665 0 C-N-CA 121.093 -0.575 . . . . 51.31 111.741 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -99.67 84.63 2.97 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 110.024 -0.361 . . . . 74.52 110.024 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 81.6 t60 -174.43 106.73 0.11 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.631 -0.713 . . . . 73.44 110.388 -176.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.4 p-80 -141.72 105.09 4.65 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.23 0.538 . . . . 72.44 109.62 173.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -71.51 92.14 1.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.843 -0.617 . . . . 72.53 110.684 -176.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.6 t-160 -167.71 94.64 0.42 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.578 -0.737 . . . . 53.32 109.099 178.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 36.4 t60 -78.98 105.48 10.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.902 -0.59 . . . . 63.12 110.31 -175.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.1 p -108.16 -47.78 3.48 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.253 -0.43 . . . . 74.31 111.542 -178.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 62.37 27.8 16.55 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-O 121.969 0.89 . . . . 74.5 109.065 -174.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 49.7 ttm -91.17 -4.12 56.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.044 -0.98 . . . . 61.11 110.752 -175.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 32.9 t -104.17 124.7 49.58 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.804 -0.443 . . . . 45.33 109.804 177.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.7 p -99.86 138.99 20.46 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 116.512 -0.313 . . . . 70.14 111.164 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -64.59 126.17 16.31 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.705 2.27 . . . . 73.21 111.009 173.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.3 tp -135.92 130.69 34.15 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.481 -0.327 . . . . 72.22 110.669 -175.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 31.3 m -71.41 -44.56 64.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.269 -0.423 . . . . 75.45 110.048 175.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.58 28.41 4.01 Favored Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 120.456 -0.878 . . . . 60.41 112.89 174.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.425 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 27.3 mmtp -80.14 147.4 65.08 Favored Pre-proline 0 C--N 1.323 -0.574 0 C-N-CA 120.732 -0.387 . . . . 74.44 110.417 177.661 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 18' ' ' LYS . 25.5 Cg_exo -62.48 147.34 95.01 Favored 'Trans proline' 0 C--O 1.237 0.46 0 C-N-CA 122.924 2.416 . . . . 64.11 112.622 -178.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.15 47.29 3.49 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.798 -0.637 . . . . 51.04 111.615 175.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.1 159.8 42.01 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.056 -0.35 . . . . 74.32 110.056 -178.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 89.3 mt -121.84 142.72 36.78 Favored Pre-proline 0 C--N 1.323 -0.56 0 CA-C-O 120.707 0.289 . . . . 75.02 111.167 -176.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.464 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 60.7 Cg_endo -75.88 151.3 35.52 Favored 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.568 2.178 . . . . 64.35 111.304 172.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -82.55 18.72 1.43 Allowed 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.094 0.473 . . . . 70.33 111.146 -178.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.441 ' HB3' ' HB2' ' A' ' 28' ' ' ASP . 20.7 m120 -123.07 33.6 5.35 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.214 -0.448 . . . . 72.24 110.339 178.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 23' ' ' PRO . 90.9 mt -61.47 -28.93 69.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 60.05 111.279 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -81.69 -24.71 36.06 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.982 0.42 . . . . 65.4 110.38 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.441 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 6.6 m-20 -69.48 -28.2 65.86 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.504 -0.554 . . . . 75.34 109.504 173.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 88.1 mtp -73.78 155.76 38.52 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.475 -0.784 . . . . 73.21 110.261 177.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.483 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 50.5 mttp -78.52 168.81 19.23 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.236 -0.438 . . . . 72.44 111.179 -178.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 86.5 t -64.71 -43.27 96.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.015 -0.539 . . . . 72.32 110.36 177.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.73 -38.08 86.6 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.985 -0.552 . . . . 74.4 110.594 177.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.483 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 9.2 mm-40 -56.76 -50.2 72.97 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.763 -0.653 . . . . 63.52 110.741 176.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 89.3 mt -60.97 -43.9 98.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.686 -0.688 . . . . 71.23 110.589 179.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.512 ' HE2' ' O ' ' A' ' 45' ' ' VAL . 93.3 mttt -61.43 -40.92 96.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.113 -0.494 . . . . 72.02 111.479 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -60.43 -46.81 88.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.724 0.297 . . . . 65.03 110.322 177.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -63.58 -33.51 75.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.185 -0.461 . . . . 73.34 111.255 179.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.435 ' HB2' HG12 ' A' ' 45' ' ' VAL . 71.2 mt -68.4 -58.19 4.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.48 . . . . 71.14 111.063 177.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.47 ' HE2' HG11 ' A' ' 45' ' ' VAL . 18.3 ptpt -64.46 -26.09 68.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.496 -0.32 . . . . 75.52 111.697 -173.258 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.7 mt -80.85 -10.76 59.69 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.71 0.29 . . . . 60.22 111.176 178.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 75.0 mtt85 -115.23 18.34 16.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.32 -0.4 . . . . 71.24 110.825 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.2 t 71.41 16.83 5.94 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 123.689 0.618 . . . . 71.2 111.549 176.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 38.9 mt -94.74 144.85 28.56 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.231 -0.44 . . . . 62.01 110.967 -178.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.542 ' HG2' ' HD3' ' A' ' 55' ' ' ARG . 28.8 Cg_endo -64.59 140.07 66.92 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.404 2.07 . . . . 64.2 111.558 174.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.512 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 23.4 m -101.27 0.25 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 112.011 0.374 . . . . 61.34 112.011 -175.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.1 m -82.41 128.44 34.25 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.899 0.38 . . . . 54.14 111.134 -178.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 149.08 172.57 18.93 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.017 -0.611 . . . . 72.35 111.695 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.578 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 28.8 p -85.75 179.98 6.96 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 117.017 0.408 . . . . 74.05 111.065 178.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.0 tptm -53.15 -55.03 27.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 71.14 111.776 -176.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 17.0 m -65.36 -37.87 88.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.542 -0.299 . . . . 65.14 111.284 -177.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -63.98 -41.68 97.46 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.488 -0.324 . . . . 75.34 111.35 -178.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.578 ' HG ' ' O ' ' A' ' 48' ' ' THR . 73.1 mt -63.8 -41.67 97.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.96 0.409 . . . . 73.52 110.5 179.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.435 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 75.9 mt -61.37 -48.48 88.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.848 -0.614 . . . . 74.21 110.315 176.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.43 ' OE1' ' HD3' ' A' ' 57' ' ' ARG . 2.0 tp10 -62.07 -40.5 96.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.732 -0.667 . . . . 73.34 111.082 -177.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.542 ' HD3' ' HG2' ' A' ' 44' ' ' PRO . 37.8 ttm180 -62.68 -41.91 99.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.814 -0.63 . . . . 74.25 110.616 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 55.9 mt -61.79 -44.16 97.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.073 -0.512 . . . . 71.41 110.337 174.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.435 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 84.0 mtp180 -60.21 -45.1 94.34 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.968 -0.56 . . . . 70.14 111.146 -179.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.84 -47.14 86.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.835 0.35 . . . . 41.43 110.775 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.418 ' O ' HG13 ' A' ' 63' ' ' ILE . 73.4 t80 -61.39 -43.77 98.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.854 -0.612 . . . . 52.3 111.018 -179.051 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -71.48 -41.85 68.82 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.978 -0.556 . . . . 61.42 111.323 -178.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -65.48 -39.9 92.49 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.267 -0.424 . . . . 54.41 111.758 -174.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -79.61 3.04 20.21 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 111.743 0.275 . . . . 71.41 111.743 -175.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 59' ' ' TYR . 69.3 mt -71.58 -37.06 62.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 N-CA-C 109.895 -0.409 . . . . 65.04 109.895 175.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.7 t -85.28 122.28 73.77 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.964 -0.562 . . . . 51.2 109.835 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.01 174.06 11.87 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.651 2.234 . . . . 61.32 112.419 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.414 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 16.4 m -86.62 136.95 34.29 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 116.361 -0.382 . . . . 74.41 111.136 -178.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 66' ' ' VAL . 39.7 Cg_exo -61.14 -44.05 26.1 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.253 2.636 . . . . 74.12 112.792 -177.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -72.27 -52.9 9.71 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.602 -0.809 . . . . 70.04 111.947 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.403 ' HA ' ' HD3' ' A' ' 70' ' ' PRO . . . 65.59 119.88 0.02 OUTLIER Pre-proline 0 N--CA 1.466 0.33 0 C-N-CA 123.397 0.679 . . . . 61.22 112.759 175.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 69' ' ' ALA . 13.2 Cg_exo -68.78 153.59 72.72 Favored 'Trans proline' 0 N--CA 1.46 -0.474 0 C-N-CA 122.409 2.072 . . . . 73.03 110.493 172.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.2 tmtt? -73.52 85.0 1.54 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.166 0.508 . . . . 74.21 109.87 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -156.81 151.45 20.57 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 115.443 -0.799 . . . . 71.23 109.204 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_exo -56.62 100.72 0.09 OUTLIER 'Trans proline' 0 C--O 1.235 0.328 0 C-N-CA 122.727 2.285 . . . . 71.22 112.692 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -105.11 79.35 1.48 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-O 121.361 0.6 . . . . 55.22 110.492 179.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.888 0 CA-C-O 118.281 -0.866 . . . . 71.45 109.696 178.94 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.4 mtm . . . . . 0 N--CA 1.483 1.209 0 CA-C-O 120.632 0.254 . . . . 74.33 110.438 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -143.46 -95.64 0.21 Allowed Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.908 -0.663 . . . . 51.41 111.868 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -90.31 112.61 24.23 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.907 0.384 . . . . 63.11 110.245 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 68.8 m-70 -94.32 -42.31 8.98 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.967 -0.56 . . . . 72.51 110.244 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.4 t-80 -84.75 86.88 7.29 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.787 -0.642 . . . . 64.33 110.054 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 17.8 t-80 -84.61 -62.89 1.44 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.867 -0.606 . . . . 74.21 110.751 -179.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 39.0 p-80 -75.38 142.86 43.04 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.562 -0.455 . . . . 73.13 109.847 -178.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 37.4 m80 -111.08 164.19 13.09 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.264 -0.425 . . . . 61.3 110.123 -177.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 m -121.16 24.73 9.93 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.376 0.607 . . . . 55.22 110.032 178.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.7 t-80 -121.17 100.25 6.95 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.65 -0.705 . . . . 74.22 110.552 -176.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 91.7 mmm 53.0 28.54 6.78 Favored 'General case' 0 N--CA 1.471 0.609 0 O-C-N 123.585 0.553 . . . . 62.41 111.181 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 17.4 m -95.72 90.65 5.75 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 121.171 0.51 . . . . 65.54 111.499 -171.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 2.8 p -118.9 122.5 29.68 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.853 -0.612 . . . . 63.33 110.082 174.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 14.4 Cg_exo -67.95 92.03 0.38 Allowed 'Trans proline' 0 N--CA 1.462 -0.33 0 C-N-CA 122.657 2.238 . . . . 60.53 112.097 -178.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -112.73 103.58 11.61 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.108 -0.701 . . . . 63.33 109.108 176.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.1 p -94.73 95.09 8.5 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.178 0.514 . . . . 73.13 110.855 179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -133.72 117.23 1.83 Allowed Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.581 -0.736 . . . . 75.35 111.29 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -99.13 120.59 57.91 Favored Pre-proline 0 C--N 1.32 -0.684 0 CA-C-O 120.684 0.278 . . . . 64.31 110.549 -178.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -83.64 141.89 10.04 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 122.618 2.212 . . . . 65.21 112.224 179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.15 -24.87 58.68 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.7 -0.762 . . . . 71.42 111.67 178.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.26 -159.73 0.97 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.55 -0.537 . . . . 74.43 109.55 178.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 90.6 mt -122.34 146.0 45.95 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 109.848 -0.427 . . . . 72.41 109.848 175.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.87 164.5 16.28 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.473 2.116 . . . . 71.23 111.889 174.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -94.23 4.64 53.61 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.217 0.532 . . . . 72.53 110.551 -179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 23.1 m120 -120.61 42.38 3.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.813 -0.63 . . . . 71.13 110.993 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.8 mt -67.43 -29.15 68.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.4 0.619 . . . . 71.55 109.422 176.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -65.47 -29.69 70.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.154 -0.93 . . . . 72.43 110.445 178.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -77.38 -26.92 52.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.619 -0.719 . . . . 63.42 110.909 -178.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 88.2 mtp -74.46 160.26 31.19 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.886 -0.597 . . . . 74.31 110.963 -176.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.53 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 37.7 mttp -95.38 177.18 5.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.097 -0.501 . . . . 73.13 110.576 -178.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.434 HG13 HD11 ' A' ' 52' ' ' LEU . 84.5 t -63.05 -46.0 97.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.858 -0.61 . . . . 63.44 110.517 177.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.17 -37.88 86.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.875 -0.602 . . . . 73.01 111.194 -179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.53 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 5.0 mm-40 -66.61 -44.9 80.83 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 52.24 109.976 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 96.9 mt -66.17 -29.65 69.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.767 -0.652 . . . . 64.44 111.243 -177.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.548 ' HG2' ' HB ' ' A' ' 45' ' ' VAL . 93.0 mttt -58.91 -33.53 70.65 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.527 -0.306 . . . . 71.23 111.507 179.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -66.91 -42.77 84.84 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.649 -0.25 . . . . 72.12 110.938 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -67.56 -32.05 72.55 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.032 0.444 . . . . 74.34 110.61 178.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.514 HD13 ' HA ' ' A' ' 45' ' ' VAL . 78.9 mt -71.51 -52.79 16.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.941 -0.572 . . . . 74.04 111.094 179.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -60.76 -32.34 71.65 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.656 0.265 . . . . 72.22 111.706 -175.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.3 mt -76.07 -12.96 60.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.859 0.361 . . . . 62.42 111.378 -178.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 54.3 mtt-85 -117.57 15.35 14.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.264 -0.425 . . . . 73.02 110.682 -178.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.1 t 65.34 26.16 12.07 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.608 -0.723 . . . . 74.25 110.882 178.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.421 HD22 ' HG2' ' A' ' 55' ' ' ARG . 47.0 mt -93.8 145.58 30.14 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.022 -0.535 . . . . 73.54 111.287 -178.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -64.44 128.86 22.32 Favored 'Trans proline' 0 C--N 1.344 0.291 0 C-N-CA 122.826 2.351 . . . . 72.43 112.067 176.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.548 ' HB ' ' HG2' ' A' ' 35' ' ' LYS . 27.2 m -93.17 1.35 9.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.908 -0.587 . . . . 73.13 111.242 -176.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.5 p -96.71 136.35 37.36 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.958 -0.564 . . . . 53.42 110.986 179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 138.63 177.84 15.71 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 116.003 -0.544 . . . . 74.54 111.965 178.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.565 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 51.7 p -73.34 160.63 31.53 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.543 0.171 . . . . 73.14 110.616 178.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.537 ' HE2' HD11 ' A' ' 53' ' ' ILE . 87.3 tttt -56.67 -38.83 72.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.778 0.323 . . . . 72.3 110.387 178.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 33.2 m -56.22 -48.84 75.67 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.873 -0.603 . . . . 54.43 110.328 176.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -58.58 -48.65 80.24 Favored 'General case' 0 C--O 1.22 -0.458 0 CA-C-N 115.851 -0.613 . . . . 72.42 110.727 177.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 48' ' ' THR . 49.8 mt -56.72 -51.69 67.85 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.348 -0.387 . . . . 75.11 111.375 -176.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.537 HD11 ' HE2' ' A' ' 49' ' ' LYS . 71.1 mt -62.69 -51.1 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.016 0.436 . . . . 74.14 110.991 -178.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -66.64 -33.08 74.85 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.112 -0.495 . . . . 74.5 111.656 -176.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.421 ' HG2' HD22 ' A' ' 43' ' ' LEU . 38.3 ttm180 -67.57 -40.07 84.87 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.293 -0.412 . . . . 64.14 110.16 178.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.3 mt -64.0 -46.73 83.21 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.942 -0.572 . . . . 51.42 110.5 174.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -55.67 -55.61 30.19 Favored 'General case' 0 C--O 1.222 -0.365 0 CA-C-N 115.923 -0.58 . . . . 71.32 110.546 178.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.62 -35.68 74.82 Favored 'General case' 0 C--N 1.332 -0.186 0 O-C-N 123.349 0.406 . . . . 63.22 111.674 -177.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -68.05 -46.23 71.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.482 -0.326 . . . . 71.23 110.908 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.416 ' HA ' HD12 ' A' ' 63' ' ' ILE . 18.1 tm0? -79.49 -29.35 41.57 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.424 -0.353 . . . . 74.33 110.809 -176.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -61.18 -46.64 89.66 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.119 -0.491 . . . . 74.41 111.116 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -73.84 -5.42 40.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.095 -0.502 . . . . 72.45 112.028 -176.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 60' ' ' GLN . 70.4 mt -72.59 -27.83 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.283 0.563 . . . . 74.42 109.884 176.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 46.0 t -96.18 147.07 32.4 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.765 -0.652 . . . . 73.05 109.426 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -59.79 107.74 0.42 Allowed 'Trans proline' 0 C--O 1.233 0.272 0 C-N-CA 122.48 2.12 . . . . 72.14 111.368 175.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.413 HG23 ' HA ' ' A' ' 69' ' ' ALA . 19.4 m -113.92 148.23 39.47 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-N 115.988 -0.551 . . . . 75.44 110.872 -178.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 66' ' ' VAL . 41.4 Cg_exo -56.58 118.18 4.97 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.101 2.534 . . . . 65.53 112.02 179.235 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.75 -43.16 2.75 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.124 -0.56 . . . . 72.22 112.244 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.413 ' HA ' HG23 ' A' ' 66' ' ' VAL . . . 58.2 92.92 0.06 OUTLIER Pre-proline 0 N--CA 1.465 0.305 0 C-N-CA 122.982 0.513 . . . . 74.45 111.174 -177.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_exo -57.09 112.65 1.17 Allowed 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.878 2.385 . . . . 43.44 112.995 -176.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -69.15 144.38 53.84 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 108.859 -0.793 . . . . 71.11 108.859 173.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.426 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . . . -48.66 112.26 2.28 Favored Pre-proline 0 N--CA 1.466 0.367 0 O-C-N 123.548 0.53 . . . . 74.25 111.732 -175.14 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 72' ' ' ALA . 16.7 Cg_endo -92.03 131.64 1.19 Allowed 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 123.252 2.635 . . . . 64.2 112.774 -178.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -102.94 143.66 32.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.828 -0.624 . . . . 75.44 110.238 175.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.592 -0.718 . . . . 37.74 110.216 -179.223 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.2 ttp . . . . . 0 N--CA 1.479 1.009 0 CA-C-O 120.719 0.295 . . . . 71.11 110.471 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.41 155.25 31.74 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.725 -0.75 . . . . 52.44 112.537 176.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -121.02 113.14 19.64 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.823 -0.806 . . . . 71.54 108.823 178.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.4 t-160 -82.33 144.0 30.88 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.657 -0.247 . . . . 72.21 110.419 -174.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.0 t-80 -51.06 -47.32 61.81 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 123.55 0.531 . . . . 65.25 112.359 -177.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.6 t-160 -87.41 123.11 32.0 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.94 0.4 . . . . 60.3 111.056 -178.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 -144.76 117.96 8.94 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.815 -0.809 . . . . 62.4 108.815 175.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -85.54 73.11 10.53 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.539 0.685 . . . . 55.32 111.483 -178.221 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.4 m -78.49 116.16 18.69 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.343 -0.844 . . . . 64.34 110.808 179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -149.45 147.44 28.24 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.05 -0.523 . . . . 65.12 109.67 178.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.427 ' O ' ' HG3' ' A' ' 11' ' ' MET . 13.7 ptp -116.95 99.79 7.32 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.46 0.647 . . . . 72.31 111.037 178.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 5.9 p -101.68 -4.99 25.57 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.759 -0.655 . . . . 74.41 109.792 176.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.424 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 6.1 p -129.58 143.16 47.87 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.046 -0.979 . . . . 71.01 110.108 177.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 15.8 Cg_exo -68.44 146.42 68.29 Favored 'Trans proline' 0 C--O 1.234 0.315 0 C-N-CA 122.725 2.283 . . . . 51.34 111.804 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.4 tp -79.02 154.16 29.69 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.03 -0.532 . . . . 72.04 110.087 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 15.3 t -76.49 165.82 24.28 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.078 -0.51 . . . . 41.53 110.283 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -92.91 -139.95 9.57 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.732 -0.747 . . . . 75.12 112.825 -177.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.404 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 12.2 mptt 63.87 78.9 0.27 Allowed Pre-proline 0 N--CA 1.464 0.244 0 CA-C-O 121.079 0.466 . . . . 72.43 110.534 -177.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -71.4 -4.12 14.35 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 123.009 2.473 . . . . 64.11 113.084 -174.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -71.81 -10.46 72.2 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.985 -0.626 . . . . 72.15 112.111 178.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.24 -174.12 3.66 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 110.291 -0.263 . . . . 60.44 110.291 178.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.569 HD13 ' HB3' ' A' ' 56' ' ' LEU . 73.8 mt -128.31 152.08 77.45 Favored Pre-proline 0 C--N 1.326 -0.456 0 N-CA-C 109.809 -0.441 . . . . 72.45 109.809 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.465 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 30.3 Cg_endo -64.88 136.48 49.09 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.365 2.043 . . . . 72.2 111.464 174.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.56 -24.73 66.85 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.962 0.411 . . . . 75.12 111.69 -179.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.555 ' HB3' ' HB2' ' A' ' 28' ' ' ASP . 18.8 m120 -83.68 53.51 2.57 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.362 -0.381 . . . . 74.13 111.547 -177.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 23' ' ' PRO . 79.9 mt -74.14 -20.43 60.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.351 -0.386 . . . . 74.4 111.666 -178.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -88.77 -27.5 21.1 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.406 -0.518 . . . . 61.41 110.104 178.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.555 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 11.6 m-20 -69.72 -25.44 63.85 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.486 -0.561 . . . . 72.31 109.486 173.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.409 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 86.8 mmm -69.19 141.75 54.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.472 -0.785 . . . . 71.1 109.932 172.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.544 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 73.7 mttt -76.95 167.49 21.74 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.159 -0.473 . . . . 62.42 110.332 -177.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 31.6 t -62.8 -47.62 92.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.932 0.396 . . . . 74.31 110.545 -178.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.36 -35.7 81.75 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.899 -0.591 . . . . 62.45 111.079 179.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.544 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 5.0 mm-40 -69.13 -38.01 78.62 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.019 -0.537 . . . . 62.42 110.601 -178.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 96.7 mt -63.61 -41.46 98.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.154 0.502 . . . . 75.03 110.069 175.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.567 ' HA ' HD12 ' A' ' 38' ' ' LEU . 99.4 mttt -68.6 -22.29 64.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.723 -0.672 . . . . 62.34 111.398 -179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -68.72 -40.03 80.12 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.836 0.351 . . . . 65.33 110.279 175.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -74.13 -36.54 64.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.293 -0.412 . . . . 64.1 110.096 178.125 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.567 HD12 ' HA ' ' A' ' 35' ' ' LYS . 91.5 mt -58.7 -54.26 49.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.799 -0.637 . . . . 62.55 111.202 178.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.498 ' HG2' ' O ' ' A' ' 35' ' ' LYS . 12.5 ptpt -60.16 -33.91 72.84 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.746 0.308 . . . . 71.42 111.743 -176.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.9 mt -77.05 -24.52 51.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.593 -0.276 . . . . 70.04 111.392 -176.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.4 mtp180 -108.4 22.97 15.21 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.598 -0.274 . . . . 71.24 111.298 -176.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.9 m 64.28 33.27 11.68 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 116.026 -0.534 . . . . 53.01 111.716 175.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.412 ' HB3' HD22 ' A' ' 38' ' ' LEU . 46.1 mt -109.92 142.58 26.16 Favored Pre-proline 0 C--N 1.322 -0.613 0 CA-C-N 116.113 -0.494 . . . . 73.15 110.663 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.425 ' HD2' ' HD3' ' A' ' 55' ' ' ARG . 17.1 Cg_exo -68.02 152.49 76.66 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 123.004 2.469 . . . . 73.12 111.93 177.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.537 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 35.3 m -106.93 2.21 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.083 -0.508 . . . . 72.44 111.48 -175.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.8 t -83.64 146.09 28.45 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.32 -0.4 . . . . 73.12 110.699 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 124.1 175.42 14.38 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 116.057 -0.519 . . . . 60.24 111.807 -178.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.572 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 26.9 p -81.27 167.92 19.03 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.169 -0.308 . . . . 71.42 110.169 176.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.467 ' O ' HG13 ' A' ' 53' ' ' ILE . 64.5 tttm -58.05 -43.86 87.1 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.749 0.309 . . . . 73.32 110.656 -178.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.7 m -58.41 -45.02 89.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.117 -0.492 . . . . 74.12 110.906 179.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -65.57 -40.14 92.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 74.4 111.1 -178.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.572 ' HG ' ' O ' ' A' ' 48' ' ' THR . 81.0 mt -60.09 -42.6 94.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.932 0.396 . . . . 71.55 110.05 177.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 49' ' ' LYS . 87.4 mt -61.71 -50.08 81.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.64 -0.709 . . . . 74.13 110.757 178.205 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 57' ' ' ARG . 42.6 mt-10 -70.18 -30.33 67.43 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.337 -0.392 . . . . 65.23 111.478 -177.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.425 ' HD3' ' HD2' ' A' ' 44' ' ' PRO . 48.6 ttm-85 -61.6 -46.36 90.17 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.423 -0.584 . . . . 73.12 109.423 175.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.569 ' HB3' HD13 ' A' ' 22' ' ' LEU . 68.4 mt -58.49 -48.77 79.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.756 -0.656 . . . . 75.2 110.732 175.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.418 ' HD3' ' HA ' ' A' ' 54' ' ' GLU . 79.1 mtp180 -55.84 -51.8 66.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.724 -0.671 . . . . 73.04 111.293 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.93 -44.16 93.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.961 -0.563 . . . . 44.55 111.409 -177.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.458 ' O ' HG12 ' A' ' 63' ' ' ILE . 86.5 t80 -65.72 -43.04 90.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.394 -0.366 . . . . 75.52 111.269 -177.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.546 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 23.4 tm0? -68.46 -37.87 80.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.832 0.349 . . . . 75.02 110.722 -178.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -68.16 -29.05 67.84 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.462 -0.336 . . . . 65.11 110.887 -175.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -89.89 -0.36 57.52 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.686 0.279 . . . . 73.44 111.209 178.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 59' ' ' TYR . 39.2 mm -64.63 -36.99 78.93 Favored 'Isoleucine or valine' 0 C--O 1.232 0.179 0 N-CA-C 109.18 -0.674 . . . . 72.05 109.18 173.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.2 m -96.74 121.0 60.79 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.302 -0.863 . . . . 72.12 110.13 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_exo -61.45 111.89 1.27 Allowed 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.559 2.173 . . . . 63.43 111.281 177.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.444 HG21 ' HB3' ' A' ' 69' ' ' ALA . 15.3 m -64.1 146.16 97.62 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-N 116.129 -0.487 . . . . 72.32 111.077 -178.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -52.79 -64.51 0.18 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.125 2.55 . . . . 54.34 112.92 -177.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -143.39 66.8 0.45 Allowed Glycine 0 N--CA 1.445 -0.763 0 C-N-CA 120.515 -0.85 . . . . 64.33 111.99 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.444 ' HB3' HG21 ' A' ' 66' ' ' VAL . . . -140.87 145.48 39.81 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 110.295 -0.261 . . . . 74.44 110.295 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 69' ' ' ALA . 5.2 Cg_exo -79.54 137.01 12.71 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.971 2.448 . . . . 74.13 111.93 177.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -87.19 63.81 8.02 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.21 0.529 . . . . 72.32 109.788 178.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -151.7 81.13 5.98 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.872 -0.604 . . . . 64.2 110.884 179.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -83.5 -168.48 0.57 Allowed 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.998 2.465 . . . . 51.34 112.023 178.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 60.63 80.23 0.22 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.663 -0.699 . . . . 74.43 111.291 -179.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.894 0 CA-C-O 118.765 -0.636 . . . . 51.01 110.028 177.793 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtm . . . . . 0 N--CA 1.478 0.933 0 CA-C-O 120.599 0.238 . . . . 73.32 110.372 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -79.93 134.81 14.05 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.772 -0.728 . . . . 42.13 111.553 176.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 53.0 t-80 -72.31 -31.67 65.89 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.839 0.352 . . . . 72.23 110.981 -176.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -71.89 -10.79 60.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.222 -0.445 . . . . 72.45 110.995 179.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -82.67 87.25 6.74 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.214 -0.662 . . . . 71.01 109.214 175.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -137.33 119.63 15.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.94 -0.573 . . . . 65.51 110.159 -178.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 52.0 t-80 -76.11 126.81 31.69 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.921 -0.581 . . . . 73.22 110.014 177.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 48.5 p-80 -102.76 127.94 49.7 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.491 -0.559 . . . . 71.33 109.491 177.036 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.6 m -104.34 -31.13 9.69 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.236 -0.438 . . . . 71.31 110.963 -177.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -134.49 174.91 10.02 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.471 -0.331 . . . . 73.35 111.073 -178.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 16.8 tmm? -91.02 125.72 35.9 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.862 -0.608 . . . . 73.22 109.999 -177.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 51.0 m -115.64 -57.24 2.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.241 -0.436 . . . . 63.11 111.24 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.439 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 15.2 p -138.84 138.43 21.47 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.609 -0.269 . . . . 75.42 110.791 -179.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 13.0 Cg_exo -70.51 105.22 1.57 Allowed 'Trans proline' 0 N--CA 1.464 -0.21 0 C-N-CA 122.661 2.241 . . . . 75.44 111.037 173.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -92.02 -59.74 2.03 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.058 0.456 . . . . 71.22 109.782 -175.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.4 p -88.82 90.02 8.23 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.991 -0.55 . . . . 62.3 110.638 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 163.77 43.69 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.776 -0.647 . . . . 70.24 111.781 -179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -97.65 117.73 64.98 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-O 120.763 0.316 . . . . 64.23 110.838 -178.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -75.89 126.53 9.46 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 123.008 2.472 . . . . 63.44 111.693 176.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.69 -13.48 22.03 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.903 -0.665 . . . . 75.21 111.693 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -119.49 -176.04 3.07 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.708 0.29 . . . . 62.55 110.929 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.548 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 67.8 mt -112.64 160.44 30.53 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-N 116.106 -0.497 . . . . 71.32 110.28 -178.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -71.54 150.27 57.1 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.399 2.066 . . . . 75.24 110.91 168.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.72 13.85 9.71 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.878 0.37 . . . . 54.23 111.528 -175.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.44 ' HB3' ' HB3' ' A' ' 28' ' ' ASP . 14.9 m120 -124.19 42.37 3.26 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.289 -0.414 . . . . 74.54 110.528 -176.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.9 mt -58.63 -35.29 72.25 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.383 0.512 . . . . 75.11 112.383 -175.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -82.31 -18.94 40.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.002 0.429 . . . . 61.11 110.923 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.44 ' HB3' ' HB3' ' A' ' 25' ' ' ASN . 11.7 t70 -80.98 -14.42 57.97 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.688 0.756 . . . . 72.52 109.349 177.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 81.0 mtp -84.94 166.28 16.92 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.778 -1.101 . . . . 62.11 109.737 175.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.567 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 58.2 mttp -83.37 172.43 12.5 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.845 0.355 . . . . 75.12 110.557 -177.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.508 HG12 ' HE3' ' A' ' 35' ' ' LYS . 45.5 t -69.06 -38.47 78.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.075 0.464 . . . . 70.35 110.045 179.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.85 -36.8 85.12 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.755 -0.657 . . . . 73.24 110.523 177.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.567 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 56.5 mm-40 -60.25 -49.8 76.18 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.934 -0.575 . . . . 63.54 110.464 178.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 97.7 mt -59.95 -41.54 92.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.997 -0.547 . . . . 61.23 111.259 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.508 ' HE3' HG12 ' A' ' 31' ' ' VAL . 95.7 mttt -60.01 -41.0 91.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 72.52 110.683 178.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -64.03 -47.14 81.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 74.14 110.72 176.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.413 ' HA ' ' OE1' ' A' ' 37' ' ' GLU . 6.7 mm-40 -57.52 -36.05 71.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 52.15 110.962 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.436 ' CD1' HD22 ' A' ' 52' ' ' LEU . 81.6 mt -69.44 -58.67 3.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.052 -0.522 . . . . 54.3 111.469 178.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.1 ptmt -66.76 -26.91 67.2 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.152 0.427 . . . . 74.01 112.152 -172.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.3 mt -71.72 -12.32 61.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.819 0.342 . . . . 43.33 110.702 177.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 80.1 mtt85 -122.56 22.91 9.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 74.51 110.848 -178.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.8 m 61.81 38.57 14.69 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.735 -0.666 . . . . 71.14 111.72 176.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.439 HD21 ' HB2' ' A' ' 59' ' ' TYR . 43.6 mt -111.78 145.63 33.08 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.168 -0.469 . . . . 74.54 110.993 178.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.3 142.2 49.31 Favored 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.785 2.323 . . . . 74.11 111.914 176.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 34.1 m -101.81 9.7 8.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.252 -0.431 . . . . 70.14 111.199 -176.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 20.0 m -81.7 108.26 15.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.194 -0.457 . . . . 73.44 110.944 -179.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 165.91 -172.53 41.34 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.831 -0.7 . . . . 55.12 112.453 178.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.68 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 27.9 p -97.49 -176.55 3.53 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 110.171 -0.307 . . . . 72.14 110.171 176.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.437 ' O ' HG13 ' A' ' 53' ' ' ILE . 23.5 tptm -54.6 -46.96 73.9 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-O 120.97 0.414 . . . . 72.12 110.335 179.492 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.8 m -70.29 -40.81 74.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.825 -0.625 . . . . 71.33 111.431 -177.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -59.61 -43.06 93.89 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.61 -0.268 . . . . 75.33 111.091 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.68 ' HG ' ' O ' ' A' ' 48' ' ' THR . 52.1 mt -65.4 -41.68 93.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 63.33 110.866 -177.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 49' ' ' LYS . 89.1 mt -60.17 -53.51 47.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.062 -0.517 . . . . 73.41 110.764 179.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.476 ' OE1' ' HD3' ' A' ' 57' ' ' ARG . 6.8 mm-40 -68.36 -28.42 67.11 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.752 -0.658 . . . . 71.04 111.335 -176.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.423 ' NE ' ' HA ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -61.55 -43.94 97.95 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.122 0.487 . . . . 63.02 109.968 177.667 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.459 ' HB3' ' CD1' ' A' ' 22' ' ' LEU . 65.6 mt -61.73 -46.42 89.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.539 -0.755 . . . . 70.4 110.874 177.585 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.476 ' HD3' ' OE1' ' A' ' 54' ' ' GLU . 69.7 mtp180 -68.34 -31.75 71.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.706 -0.679 . . . . 73.4 111.213 -175.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.11 -40.8 74.69 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.847 0.356 . . . . 62.15 110.783 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.544 ' O ' HG13 ' A' ' 63' ' ' ILE . 54.6 t80 -69.91 -51.06 36.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.066 -0.516 . . . . 73.02 111.021 179.829 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.548 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 10.7 mm100 -57.92 -34.55 69.98 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.374 0.509 . . . . 62.15 112.374 -176.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -68.18 -44.81 75.06 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.816 0.341 . . . . 73.35 111.279 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -79.51 -3.14 45.42 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.956 0.354 . . . . 45.33 111.956 -174.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 59' ' ' TYR . 70.1 mt -69.02 -29.9 44.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.286 0.565 . . . . 74.21 109.544 173.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.442 ' N ' ' HD3' ' A' ' 65' ' ' PRO . 25.0 m 59.83 63.92 3.04 Favored Pre-proline 0 C--O 1.235 0.33 0 CA-C-N 114.996 -1.002 . . . . 64.12 111.353 -177.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.442 ' HD3' ' N ' ' A' ' 64' ' ' SER . 97.1 Cg_endo -95.67 -149.54 0.03 OUTLIER 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 123.396 2.731 . . . . 71.15 110.434 176.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.436 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 8.0 m -92.63 105.65 15.42 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-O 121.07 0.462 . . . . 70.11 110.078 172.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 66' ' ' VAL . 5.3 Cg_exo -78.09 -74.07 0.01 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 123.083 2.522 . . . . 74.34 112.072 -175.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -96.21 58.2 1.43 Allowed Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.956 -0.64 . . . . 71.31 111.645 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.435 ' HB3' ' HB ' ' A' ' 66' ' ' VAL . . . -152.68 106.27 2.71 Favored Pre-proline 0 C--N 1.322 -0.588 0 N-CA-C 110.286 -0.264 . . . . 65.34 110.286 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -75.94 177.92 8.11 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.698 2.265 . . . . 73.11 112.099 179.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -75.14 116.11 15.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.241 -0.436 . . . . 73.44 110.229 178.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -113.41 96.77 41.09 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-O 120.706 0.288 . . . . 62.23 110.95 -179.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -84.2 81.34 2.12 Favored 'Trans proline' 0 N--CA 1.456 -0.691 0 C-N-CA 123.097 2.531 . . . . 74.43 111.863 177.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -158.84 163.99 36.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.082 -0.508 . . . . 75.4 110.573 -179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.363 -0.827 . . . . 43.14 110.051 178.067 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.0 ptp . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 120.766 0.317 . . . . 51.14 111.108 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.85 -170.5 30.7 Favored Glycine 0 N--CA 1.443 -0.856 0 N-CA-C 111.012 -0.835 . . . . 22.12 111.012 -174.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 70.0 m80 -139.49 -174.26 3.84 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.949 -0.389 . . . . 74.31 109.949 -179.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -76.56 107.93 9.19 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.981 -0.378 . . . . 72.35 109.981 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -82.68 -26.05 32.45 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.845 -0.616 . . . . 63.34 109.35 177.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -107.09 137.92 44.24 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.32 -0.854 . . . . 73.2 110.338 179.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 66.2 t60 -60.47 127.65 32.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.857 -0.61 . . . . 73.11 110.197 176.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.6 p80 -69.58 128.88 38.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.998 0.428 . . . . 73.25 110.287 -178.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 59.3 m -70.56 127.5 32.92 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.862 -0.608 . . . . 70.22 111.449 -175.52 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -105.64 103.63 13.18 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.776 -0.647 . . . . 73.11 110.256 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 53.8 ttp -139.66 91.22 2.46 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.025 -0.534 . . . . 65.13 109.843 177.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 23.1 t -126.43 82.33 2.07 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.406 -0.59 . . . . 64.5 109.406 179.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.7 p -145.88 159.64 46.2 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.83 -0.623 . . . . 74.43 110.666 -175.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -61.58 115.05 2.52 Favored 'Trans proline' 0 C--O 1.234 0.314 0 C-N-CA 122.402 2.068 . . . . 73.42 111.224 172.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.5 tt -80.67 107.42 13.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.12 -0.491 . . . . 74.34 109.748 -178.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.3 p -119.87 111.99 18.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.832 -0.622 . . . . 72.22 111.295 -178.156 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -106.32 91.79 0.75 Allowed Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.849 -0.691 . . . . 61.52 111.933 178.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.401 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 5.6 ttpm? -106.12 114.26 62.67 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-O 120.539 0.209 . . . . 74.33 110.74 -179.231 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 18' ' ' LYS . 4.8 Cg_exo -77.81 116.23 3.97 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.918 2.412 . . . . 70.34 112.153 179.036 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -89.34 65.75 3.07 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.58 -0.819 . . . . 64.11 111.59 177.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.533 ' HA ' ' NE2' ' A' ' 60' ' ' GLN . . . -147.45 -168.92 3.19 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.701 0.286 . . . . 70.32 110.907 -177.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 96.5 mt -111.46 154.35 43.82 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.098 -0.501 . . . . 72.11 110.488 178.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.15 169.8 21.61 Favored 'Trans proline' 0 N--CA 1.459 -0.513 0 C-N-CA 122.372 2.048 . . . . 54.21 111.332 172.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -89.21 -17.46 29.03 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.898 0.38 . . . . 75.23 111.096 -177.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.476 ' HB3' ' HB3' ' A' ' 28' ' ' ASP . 3.2 m-20 -90.93 33.46 0.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.132 -0.486 . . . . 73.33 111.645 -173.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.5 mt -59.03 -36.54 75.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.841 0.353 . . . . 70.24 111.766 -177.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -84.83 -15.93 43.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.809 0.338 . . . . 74.55 110.922 -177.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.476 ' HB3' ' HB3' ' A' ' 25' ' ' ASN . 13.5 t70 -84.14 -35.75 23.41 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.965 -0.561 . . . . 73.11 110.307 178.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.411 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 81.9 mtp -62.42 157.46 19.99 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.434 -0.803 . . . . 71.14 110.906 179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.52 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 38.6 mttp -72.49 178.73 3.86 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.137 0.494 . . . . 72.33 110.757 179.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 47.0 t -70.17 -44.54 77.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.802 -0.635 . . . . 74.03 109.599 176.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.577 ' O ' ' HG2' ' A' ' 36' ' ' GLN . . . -64.07 -34.65 78.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.866 -0.606 . . . . 71.14 110.974 178.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.52 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 69.6 mm-40 -61.88 -41.66 98.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.867 0.365 . . . . 62.2 110.707 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 83.3 mt -67.35 -38.57 85.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 63.15 110.173 178.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.595 ' HE2' ' O ' ' A' ' 45' ' ' VAL . 97.8 mttt -63.06 -30.34 71.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.844 -0.616 . . . . 61.24 110.972 177.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.577 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 17.8 mm100 -60.89 -48.05 83.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.359 -0.382 . . . . 75.44 110.112 177.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -62.96 -43.5 98.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 64.11 110.548 178.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.536 HD12 ' HA ' ' A' ' 35' ' ' LYS . 89.3 mt -57.12 -57.07 14.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.658 -0.701 . . . . 65.1 111.476 -179.281 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -65.3 -32.87 74.75 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 111.622 0.23 . . . . 73.22 111.622 -174.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 36' ' ' GLN . 85.6 mt -71.93 -28.34 63.41 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.625 0.25 . . . . 74.1 111.156 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -103.84 14.27 31.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.604 -0.271 . . . . 72.04 110.82 -178.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 18.1 m 63.56 73.07 0.46 Allowed 'General case' 0 C--O 1.235 0.314 0 CA-C-O 121.32 0.581 . . . . 65.1 111.429 179.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.454 HD13 HD23 ' A' ' 38' ' ' LEU . 22.5 mt -143.05 156.61 61.73 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 115.59 -0.732 . . . . 74.21 110.197 -178.388 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_exo -66.57 128.8 19.81 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.575 2.183 . . . . 42.23 111.69 175.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.595 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 29.0 m -99.47 -7.22 9.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.439 -0.346 . . . . 61.44 111.316 -175.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.3 t -76.57 129.62 36.7 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.806 0.336 . . . . 72.52 110.261 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 150.95 -163.94 29.86 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.873 -0.679 . . . . 60.54 112.41 178.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.664 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 19.5 p -115.45 174.98 5.72 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 122.2 0.2 . . . . 65.15 110.519 179.694 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.523 ' HE2' HD11 ' A' ' 53' ' ' ILE . 24.1 tptm -48.66 -56.36 8.71 Favored 'General case' 0 C--N 1.331 -0.237 0 O-C-N 123.459 0.474 . . . . 72.24 111.242 178.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 6.9 m -62.73 -38.5 90.74 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.194 -0.457 . . . . 72.23 111.373 -177.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.463 ' HB2' ' H ' ' A' ' 48' ' ' THR . 1.0 OUTLIER -59.55 -47.18 86.56 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.353 -0.385 . . . . 50.31 110.714 178.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.664 ' HG ' ' O ' ' A' ' 48' ' ' THR . 34.2 mt -69.22 -38.35 78.49 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.958 -0.564 . . . . 53.12 111.31 -175.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.523 HD11 ' HE2' ' A' ' 49' ' ' LYS . 81.9 mt -57.76 -52.77 53.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-O 120.859 0.361 . . . . 75.4 110.735 179.002 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -63.63 -36.73 84.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.936 -0.574 . . . . 71.52 110.835 -179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 45.9 ttm-85 -65.51 -40.5 93.06 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.032 -0.531 . . . . 74.41 110.907 -178.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 67.6 mt -64.44 -41.96 96.26 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.762 0.315 . . . . 54.14 110.658 176.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.426 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 83.5 mtp180 -59.96 -46.5 89.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.51 . . . . 64.34 110.636 179.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.87 -41.28 95.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.102 -0.499 . . . . 74.21 110.829 179.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.548 ' O ' HG12 ' A' ' 63' ' ' ILE . 34.7 t80 -61.78 -51.59 67.69 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.835 -0.62 . . . . 74.43 111.528 -179.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.533 ' NE2' ' HA ' ' A' ' 21' ' ' ALA . 58.4 tp60 -65.64 -30.74 71.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.999 0.428 . . . . 72.44 111.055 -176.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -71.54 -43.64 66.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.352 -0.386 . . . . 52.12 111.106 178.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 59' ' ' TYR . 13.6 pt20 -68.74 -20.36 64.37 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-O 120.783 0.325 . . . . 73.01 110.507 -179.174 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.548 HG12 ' O ' ' A' ' 59' ' ' TYR . 44.1 mm -63.36 -55.05 25.42 Favored 'Isoleucine or valine' 0 C--O 1.233 0.214 0 N-CA-C 109.201 -0.666 . . . . 62.4 109.201 170.276 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 49.4 m 67.03 162.35 0.13 Allowed Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 115.142 -0.935 . . . . 74.21 111.672 178.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_exo -66.75 108.27 1.42 Allowed 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 122.179 1.919 . . . . 64.32 110.557 171.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.534 ' HB ' ' HD3' ' A' ' 70' ' ' PRO . 8.4 m -60.91 117.05 21.79 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 120.879 0.371 . . . . 54.34 111.188 -178.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 66' ' ' VAL . 22.3 Cg_exo -63.46 101.56 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.998 2.465 . . . . 72.31 112.061 -174.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.9 -8.3 37.64 Favored Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 115.744 -0.662 . . . . 33.11 112.62 -178.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 65.68 123.01 0.02 OUTLIER Pre-proline 0 N--CA 1.464 0.255 0 C-N-CA 123.356 0.662 . . . . 71.21 111.068 -174.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.534 ' HD3' ' HB ' ' A' ' 66' ' ' VAL . 53.2 Cg_exo -51.66 117.03 3.12 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.678 2.252 . . . . 75.31 111.567 178.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.486 ' HB3' ' NZ ' ' A' ' 71' ' ' LYS . 0.0 OUTLIER -97.79 86.27 3.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.422 0.63 . . . . 74.43 111.146 -174.351 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.423 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . . . -97.68 103.92 18.8 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 115.233 -0.894 . . . . 52.44 109.599 175.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 72' ' ' ALA . 2.1 Cg_endo -81.15 -179.46 5.06 Favored 'Trans proline' 0 N--CA 1.457 -0.653 0 C-N-CA 123.253 2.636 . . . . 72.51 112.052 -177.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -110.76 21.94 15.95 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.469 0.652 . . . . 72.21 109.964 179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.041 0 CA-C-N 115.191 -0.913 . . . . 70.44 110.037 179.838 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.3 mtt . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 110.057 -0.349 . . . . 72.43 110.057 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 143.67 -163.23 27.63 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.935 -0.65 . . . . 61.21 111.943 -179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.4 p-80 -147.79 111.32 4.98 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.156 0.503 . . . . 73.3 110.27 177.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -113.17 134.88 54.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.856 -0.611 . . . . 72.13 110.117 -175.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -69.08 130.89 44.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.1 0.476 . . . . 73.11 110.879 177.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 67.6 m80 -114.55 -15.1 12.05 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 108.865 -0.791 . . . . 62.32 108.865 173.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 45.6 m-70 -126.26 146.04 50.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 114.852 -1.067 . . . . 70.14 108.659 174.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.6 p80 -84.62 132.24 34.51 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.447 -0.501 . . . . 71.23 110.502 -177.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 t -97.09 -30.12 13.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.595 -0.73 . . . . 60.23 109.111 -179.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.2 t60 -74.22 128.92 36.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.506 -0.77 . . . . 70.21 109.02 173.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 25.3 ttt 60.79 88.05 0.09 Allowed 'General case' 0 N--CA 1.463 0.195 0 O-C-N 123.69 0.619 . . . . 73.54 110.765 -177.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.5 t -161.6 -170.48 2.61 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.427 -0.583 . . . . 75.12 109.427 -178.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.422 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 6.2 p -94.67 111.04 52.61 Favored Pre-proline 0 C--N 1.32 -0.702 0 CA-C-O 120.706 0.289 . . . . 55.43 110.379 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 38.8 Cg_exo -59.97 126.92 21.63 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 123.009 2.472 . . . . 74.32 112.809 -175.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.468 HD12 ' HE3' ' A' ' 18' ' ' LYS . 45.8 tp -92.86 -5.42 51.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.485 0.66 . . . . 53.54 109.727 177.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.3 m -86.41 101.79 13.46 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.371 -0.831 . . . . 71.12 110.791 -178.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 18' ' ' LYS . . . 103.83 -84.89 0.46 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.496 -0.859 . . . . 60.15 112.7 176.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.468 ' HE3' HD12 ' A' ' 15' ' ' LEU . 86.1 mttt 69.48 145.77 0.11 Allowed Pre-proline 0 N--CA 1.468 0.442 0 C-N-CA 123.414 0.686 . . . . 73.52 112.227 -178.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -67.6 113.56 2.99 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 122.67 2.247 . . . . 45.35 111.22 173.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.42 82.64 1.03 Allowed Glycine 0 N--CA 1.448 -0.536 0 CA-C-N 116.016 -0.538 . . . . 74.2 112.312 -178.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.11 136.49 52.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.904 0.383 . . . . 71.12 110.707 179.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.548 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 82.1 mt -94.38 150.79 38.75 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 115.975 -0.557 . . . . 73.11 109.904 178.151 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.476 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 37.8 Cg_endo -68.64 126.93 14.72 Favored 'Trans proline' 0 N--CA 1.458 -0.599 0 C-N-CA 121.865 1.71 . . . . 70.34 110.608 173.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.59 -23.9 63.32 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.91 0.386 . . . . 54.34 111.618 -176.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.454 ' HB3' ' HB2' ' A' ' 28' ' ' ASP . 16.4 m120 -84.24 45.45 1.11 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.948 -0.569 . . . . 75.14 111.62 -179.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.563 ' HB2' HG23 ' A' ' 53' ' ' ILE . 95.4 mt -64.21 -25.63 68.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.433 0.635 . . . . 70.35 110.192 176.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -75.71 -25.34 56.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.57 -0.741 . . . . 73.14 110.548 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.454 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 4.7 m-20 -83.96 -7.57 59.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.178 0.513 . . . . 74.14 110.303 177.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 86.6 mtp -92.01 172.66 8.3 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.708 -0.678 . . . . 73.21 110.159 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.565 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 15.0 mtpp -93.48 155.46 17.33 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.399 -0.364 . . . . 54.55 110.517 -177.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.8 t -58.12 -44.24 87.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 53.44 111.163 -178.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.38 -36.35 83.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.439 -0.346 . . . . 74.42 111.046 179.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.565 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 7.4 mm-40 -65.63 -39.99 92.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 53.31 110.497 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.8 mt -64.32 -43.27 95.19 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.716 -0.674 . . . . 71.05 109.86 176.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.573 ' HA ' HD12 ' A' ' 38' ' ' LEU . 92.0 mttt -66.01 -23.09 66.5 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.55 -0.75 . . . . 74.51 111.71 -178.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.414 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 10.0 mm100 -60.37 -57.33 13.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.484 0.183 . . . . 34.34 110.537 176.063 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -66.28 -28.85 69.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.387 -0.369 . . . . 63.34 110.591 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.573 HD12 ' HA ' ' A' ' 35' ' ' LYS . 75.7 mt -64.47 -59.42 4.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.025 -0.534 . . . . 74.31 110.945 175.364 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -63.23 -32.47 73.89 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.663 -0.244 . . . . 70.23 111.479 -174.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 36' ' ' GLN . 89.5 mt -66.16 -30.81 71.36 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.846 0.355 . . . . 75.3 110.872 178.418 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 81.9 mtt-85 -100.42 11.13 40.13 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.356 -0.384 . . . . 75.45 110.541 179.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 51.3 m 62.02 26.19 15.78 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.386 0.612 . . . . 74.23 111.321 179.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.452 HD13 HD23 ' A' ' 38' ' ' LEU . 30.2 mt -79.09 155.04 77.51 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.543 -0.753 . . . . 73.32 110.566 179.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -69.98 112.86 3.23 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.612 2.208 . . . . 71.12 112.213 178.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 31.1 m -85.25 -3.64 8.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.981 -0.554 . . . . 64.52 110.173 176.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.0 m -70.75 135.59 48.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.434 -0.803 . . . . 42.43 110.772 -179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.5 -170.58 15.25 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.647 -0.787 . . . . 63.31 111.941 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.534 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 65.2 p -94.23 169.39 10.27 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.617 0.246 . . . . 61.25 110.963 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.427 ' O ' HG13 ' A' ' 53' ' ' ILE . 87.2 tttt -54.81 -41.79 71.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.003 -0.544 . . . . 63.32 110.935 178.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.8 m -57.94 -40.92 81.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.089 0.471 . . . . 62.43 110.782 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -67.8 -46.21 72.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.949 -0.569 . . . . 45.22 111.015 178.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' A' ' 48' ' ' THR . 58.5 mt -58.46 -42.01 86.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.0 -0.545 . . . . 51.24 111.106 -176.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.563 HG23 ' HB2' ' A' ' 26' ' ' LEU . 84.4 mt -61.01 -53.98 41.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.072 -0.513 . . . . 73.31 110.81 179.037 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -67.04 -34.06 76.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.95 -0.568 . . . . 75.24 111.308 -177.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -63.41 -46.87 84.39 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.863 0.363 . . . . 75.44 110.359 178.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.512 ' HB3' HD13 ' A' ' 22' ' ' LEU . 40.6 mt -59.65 -45.05 93.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.988 -0.551 . . . . 74.13 110.511 175.596 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -60.67 -51.17 70.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.99 -0.55 . . . . 65.41 111.586 179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.25 -31.72 71.52 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.988 0.423 . . . . 74.32 111.452 -178.128 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.469 ' O ' HG13 ' A' ' 63' ' ' ILE . 86.2 t80 -76.14 -46.39 28.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.158 -0.474 . . . . 75.55 110.741 179.001 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.548 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 1.1 tm0? -72.58 -34.99 67.82 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.741 -0.209 . . . . 60.52 111.248 -176.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -60.46 -39.12 86.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.359 -0.382 . . . . 64.14 111.148 -177.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -79.7 -13.43 59.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.397 -0.365 . . . . 64.52 111.198 -178.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.531 HD12 ' HA ' ' A' ' 60' ' ' GLN . 79.8 mt -70.69 -32.75 50.37 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 N-CA-C 109.327 -0.619 . . . . 54.25 109.327 174.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 12.2 t -72.97 141.56 81.82 Favored Pre-proline 0 N--CA 1.449 -0.512 0 N-CA-C 108.628 -0.879 . . . . 64.42 108.628 174.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.97 106.62 0.19 Allowed 'Trans proline' 0 C--O 1.236 0.42 0 C-N-CA 122.427 2.085 . . . . 75.41 112.069 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.403 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 22.5 m -83.61 126.82 70.17 Favored Pre-proline 0 N--CA 1.452 -0.364 0 CA-C-O 121.013 0.435 . . . . 72.04 110.363 178.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 66' ' ' VAL . 94.4 Cg_endo -95.3 16.3 0.94 Allowed 'Trans proline' 0 N--CA 1.451 -1.008 0 C-N-CA 123.192 2.595 . . . . 73.53 112.612 -178.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -148.21 -58.45 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.843 -0.694 . . . . 64.41 112.403 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 71.63 110.27 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.427 0 C-N-CA 123.345 0.658 . . . . 71.25 111.658 178.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -72.02 157.86 53.61 Favored 'Trans proline' 0 C--O 1.237 0.432 0 C-N-CA 122.596 2.197 . . . . 64.55 112.221 178.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -90.62 158.98 16.66 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.095 0.474 . . . . 52.3 111.023 -178.267 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.403 ' HB1' ' HD2' ' A' ' 73' ' ' PRO . . . -142.46 161.19 51.24 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.587 -0.733 . . . . 41.54 110.048 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.403 ' HD2' ' HB1' ' A' ' 72' ' ' ALA . 44.6 Cg_endo -68.93 136.09 34.26 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.337 2.025 . . . . 72.34 112.036 175.268 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -100.8 -85.93 0.41 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.557 -0.292 . . . . 42.43 110.607 -179.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.465 -0.779 . . . . 42.31 110.028 179.803 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.4 ptt? . . . . . 0 N--CA 1.479 0.996 0 CA-C-O 121.675 0.75 . . . . 70.24 110.693 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -135.02 -124.4 2.43 Favored Glycine 0 N--CA 1.44 -1.075 0 CA-C-N 115.6 -0.727 . . . . 62.32 111.51 -179.108 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.5 m170 60.73 26.89 16.66 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.504 0.668 . . . . 71.43 109.604 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -89.15 14.06 11.71 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.104 -0.953 . . . . 64.31 110.39 -173.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 39.2 t-80 -63.56 134.31 55.31 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.733 -0.667 . . . . 73.42 109.948 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 32.4 m170 -62.84 109.05 1.32 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.13 -0.486 . . . . 75.21 111.53 -175.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -73.83 -20.58 60.4 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.626 -0.716 . . . . 74.41 110.417 177.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -131.81 163.11 28.96 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.287 -0.634 . . . . 75.15 109.287 175.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.7 t -80.78 128.01 33.17 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.508 -0.553 . . . . 70.31 109.508 179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -64.9 -22.08 66.93 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.139 -0.482 . . . . 74.42 110.773 -177.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 53.1 ttm -105.12 89.34 3.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.282 0.563 . . . . 60.34 109.961 175.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.6 p -141.78 149.05 39.92 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.601 -0.727 . . . . 52.03 109.942 178.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.05 106.79 30.96 Favored Pre-proline 0 C--N 1.323 -0.553 0 N-CA-C 111.885 0.328 . . . . 64.43 111.885 -175.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -81.04 107.59 1.93 Allowed 'Trans proline' 0 N--CA 1.459 -0.547 0 C-N-CA 123.072 2.515 . . . . 71.01 111.351 174.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.618 HD11 ' HA ' ' A' ' 19' ' ' PRO . 45.8 tp -153.64 115.61 4.3 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.432 -0.349 . . . . 71.33 110.144 -179.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.559 ' OG1' ' HA ' ' A' ' 23' ' ' PRO . 35.3 m -99.17 106.62 18.81 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.034 0.445 . . . . 70.31 111.217 -179.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.38 -83.95 1.47 Allowed Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.97 -0.559 . . . . 60.24 113.402 175.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 34.3 mmtp -128.98 146.02 58.97 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 120.402 0.144 . . . . 65.22 110.984 -172.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.618 ' HA ' HD11 ' A' ' 15' ' ' LEU . 31.9 Cg_exo -59.96 111.94 1.14 Allowed 'Trans proline' 0 C--O 1.235 0.36 0 C-N-CA 122.81 2.34 . . . . 74.31 111.653 176.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 130.17 -35.4 2.52 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 111.098 -0.801 . . . . 62.2 111.098 -175.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -75.3 156.19 35.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.834 0.349 . . . . 72.34 110.744 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.582 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 71.9 mt -85.84 131.05 48.32 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 115.962 -0.563 . . . . 74.34 110.983 -177.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.628 ' O ' ' HG ' ' A' ' 26' ' ' LEU . 41.8 Cg_endo -69.2 139.88 43.33 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 122.222 1.948 . . . . 73.33 110.895 171.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -72.69 4.45 4.0 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.915 0.388 . . . . 54.53 111.888 -176.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -105.8 16.9 24.54 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.46 -0.336 . . . . 74.52 111.005 -177.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.628 ' HG ' ' O ' ' A' ' 23' ' ' PRO . 86.3 mt -53.38 -45.2 69.16 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.373 -0.376 . . . . 63.03 111.776 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -64.85 -26.83 68.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.143 -0.48 . . . . 70.22 111.433 -177.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -86.53 -32.17 20.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.108 -0.496 . . . . 74.0 111.538 -176.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 55.3 mtm -67.35 161.21 25.63 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.25 0.547 . . . . 74.03 111.741 -175.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.563 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 0.3 OUTLIER -81.61 162.75 22.98 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.371 -0.831 . . . . 74.51 110.381 -178.112 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.2 t -55.3 -40.73 58.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 73.45 111.045 179.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.49 -35.73 81.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 62.12 111.398 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.563 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 2.3 mm-40 -68.15 -41.54 81.43 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.354 -0.61 . . . . 64.13 109.354 -179.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 80.3 mt -61.81 -44.24 97.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.324 -0.853 . . . . 64.52 110.62 179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.555 ' HE2' ' O ' ' A' ' 45' ' ' VAL . 95.5 mttt -63.88 -29.53 70.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.05 -0.523 . . . . 73.15 110.974 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.445 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 12.1 mm100 -63.75 -41.66 97.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.481 -0.327 . . . . 74.41 110.756 176.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.561 ' HB3' ' NH1' ' A' ' 41' ' ' ARG . 27.1 mt-10 -73.96 -41.27 62.23 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.946 -0.302 . . . . 74.44 111.032 178.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.551 HD13 ' HA ' ' A' ' 45' ' ' VAL . 58.5 mt -54.07 -54.04 44.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 73.44 111.299 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -60.78 -30.75 70.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.462 -0.335 . . . . 71.01 111.406 -177.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 36' ' ' GLN . 92.6 mt -78.46 -27.07 46.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.521 -0.308 . . . . 71.15 110.955 -179.119 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.568 HH11 HD22 ' A' ' 56' ' ' LEU . 63.8 mtt180 -99.05 16.87 21.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.398 -0.365 . . . . 74.41 111.075 -179.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.8 t 65.67 30.7 10.24 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.268 0.556 . . . . 70.41 111.012 175.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.426 ' HA ' ' HD3' ' A' ' 44' ' ' PRO . 20.9 mt -108.85 148.13 37.22 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.779 -0.646 . . . . 62.42 111.013 -178.7 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 43' ' ' LEU . 33.5 Cg_exo -62.31 141.65 88.29 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.849 2.366 . . . . 73.2 111.544 174.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.555 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 34.3 m -103.19 -19.94 5.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.204 -0.453 . . . . 72.24 111.427 -174.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 40.4 m -78.44 107.06 10.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.201 0.524 . . . . 73.11 111.582 -177.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 177.24 -172.89 45.77 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 111.247 -0.741 . . . . 52.04 111.247 178.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.65 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 71.7 p -90.5 159.14 16.66 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.917 -0.401 . . . . 71.31 109.917 177.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -50.21 -46.54 54.65 Favored 'General case' 0 C--N 1.331 -0.21 0 O-C-N 123.415 0.447 . . . . 74.21 111.637 -177.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 39.3 m -61.55 -50.1 74.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.604 -0.271 . . . . 75.31 111.171 -179.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -61.54 -38.46 87.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.61 -0.268 . . . . 73.22 111.256 -177.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.65 ' HG ' ' O ' ' A' ' 48' ' ' THR . 58.1 mt -61.15 -47.06 87.94 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.762 0.315 . . . . 51.22 110.539 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.459 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 84.9 mt -63.04 -49.04 85.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.083 -0.508 . . . . 72.42 110.691 178.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.25 -40.3 89.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.98 -0.555 . . . . 73.44 111.611 -179.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 34.8 ttt85 -66.31 -36.15 82.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.404 -0.362 . . . . 70.43 110.684 -178.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.568 HD22 HH11 ' A' ' 41' ' ' ARG . 82.0 mt -61.52 -44.05 97.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.166 0.508 . . . . 61.13 110.373 175.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 68.6 mtp180 -66.13 -42.66 88.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.687 -0.688 . . . . 72.45 110.663 -178.246 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.55 -36.15 81.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 73.22 111.112 179.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.544 ' O ' HG13 ' A' ' 63' ' ' ILE . 42.9 t80 -61.41 -54.69 40.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.047 -0.524 . . . . 73.44 110.624 178.135 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.582 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 10.1 mm100 -62.86 -35.77 81.09 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.296 -0.411 . . . . 71.42 111.901 -179.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -62.61 -43.49 98.68 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 63.22 111.775 -176.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -80.12 -14.43 58.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.494 -0.321 . . . . 64.41 111.55 -176.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 59' ' ' TYR . 65.4 mt -74.05 -59.54 3.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 110.136 -0.32 . . . . 74.44 110.136 177.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 28.7 m 66.68 161.98 0.13 Allowed Pre-proline 0 CA--C 1.536 0.412 0 O-C-N 123.849 0.718 . . . . 74.25 111.264 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.71 110.6 1.48 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.125 1.883 . . . . 71.42 111.2 174.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.451 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 13.6 m -130.63 108.57 15.8 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-O 121.505 0.669 . . . . 73.3 111.927 -176.26 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' ' 66' ' ' VAL . 4.8 Cg_exo -79.03 -28.81 3.63 Favored 'Trans proline' 0 N--CA 1.462 -0.342 0 C-N-CA 123.661 2.908 . . . . 74.34 112.105 177.124 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -110.96 -25.0 5.29 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.892 -0.671 . . . . 53.31 112.18 178.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.411 ' HA ' ' HB ' ' A' ' 66' ' ' VAL . . . 68.72 123.08 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.355 0 C-N-CA 123.449 0.7 . . . . 74.24 111.754 177.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.84 157.88 57.08 Favored 'Trans proline' 0 C--O 1.233 0.263 0 C-N-CA 122.58 2.186 . . . . 74.54 111.962 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -76.47 103.02 6.25 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.055 0.455 . . . . 75.24 109.787 178.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.448 ' HA ' ' HD3' ' A' ' 73' ' ' PRO . . . -145.02 139.88 15.59 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.907 -0.588 . . . . 41.51 110.756 -176.03 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 72' ' ' ALA . 12.8 Cg_exo -71.0 -167.52 0.28 Allowed 'Trans proline' 0 CA--C 1.533 0.445 0 C-N-CA 123.076 2.518 . . . . 74.53 112.692 -179.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.76 172.28 12.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.292 -0.413 . . . . 62.22 111.104 -178.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.62 -0.705 . . . . 40.12 110.631 -179.654 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 80.8 mtp . . . . . 0 N--CA 1.481 1.121 0 CA-C-O 120.676 0.274 . . . . 70.32 110.856 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 85.39 106.95 0.69 Allowed Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.943 -0.646 . . . . 34.43 113.476 173.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -84.18 78.04 9.85 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.974 -0.75 . . . . 54.24 108.974 171.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 22.2 p-80 -83.52 138.2 33.52 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.832 -0.622 . . . . 74.05 111.909 -172.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -154.24 108.67 3.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.249 -0.887 . . . . 74.03 109.471 173.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.0 m80 -136.68 156.32 48.69 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.079 -0.51 . . . . 44.34 110.148 178.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 74.4 m-70 -76.19 -42.59 45.82 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.104 -0.498 . . . . 73.5 109.814 -179.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 25.9 m-70 -88.08 47.42 1.5 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.256 -0.429 . . . . 72.1 111.604 179.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.7 m -77.08 80.65 3.6 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.195 0.522 . . . . 71.22 109.726 175.027 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.9 p-80 -71.13 167.01 20.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.435 -0.802 . . . . 63.24 111.308 -177.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 48.4 mtt -82.97 108.99 16.69 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.756 -0.656 . . . . 64.31 110.31 -177.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.9 m -77.46 92.13 3.97 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.323 0.582 . . . . 70.25 110.169 176.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 31.0 m -136.3 138.31 26.74 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.495 -0.775 . . . . 50.53 109.392 -178.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -50.06 133.2 34.6 Favored 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.828 2.352 . . . . 60.43 112.211 177.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.1 tp -111.96 123.05 49.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.376 -0.374 . . . . 74.55 110.506 -176.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 t -115.2 149.64 37.37 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.101 -0.5 . . . . 72.01 110.629 179.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -106.85 8.46 39.43 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 111.304 -0.718 . . . . 62.41 111.304 176.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 19' ' ' PRO . 30.1 mmtp -102.24 114.41 65.47 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 109.967 -0.382 . . . . 74.04 109.967 -179.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.46 ' HG2' ' HG2' ' A' ' 41' ' ' ARG . 18.6 Cg_endo -60.28 140.42 91.87 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.556 2.171 . . . . 65.41 111.64 176.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.42 -51.97 2.09 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.701 -0.761 . . . . 62.2 112.506 -176.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.05 167.15 15.26 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.047 0.451 . . . . 73.43 111.954 -174.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.517 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 97.3 mt -113.42 154.74 45.37 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.832 -0.622 . . . . 64.55 110.529 178.456 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.429 ' HG2' ' CD2' ' A' ' 26' ' ' LEU . 19.1 Cg_endo -62.22 141.16 87.0 Favored 'Trans proline' 0 N--CA 1.46 -0.498 0 C-N-CA 121.996 1.797 . . . . 60.51 110.84 169.277 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.45 -35.71 80.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.259 -0.428 . . . . 72.33 111.552 -176.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -101.83 97.67 8.01 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.935 -0.575 . . . . 73.11 110.726 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.429 ' CD2' ' HG2' ' A' ' 23' ' ' PRO . 84.6 mt -97.09 -28.34 14.17 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.139 -0.482 . . . . 72.21 110.176 176.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -71.19 -19.64 62.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.843 -0.617 . . . . 62.21 110.587 178.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -86.8 -18.35 31.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.063 -0.517 . . . . 70.2 110.44 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 94.2 mmm -72.65 153.51 41.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.83 -0.623 . . . . 73.22 109.601 178.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.548 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 61.8 mttp -85.39 169.27 13.85 Favored 'General case' 0 C--N 1.318 -0.763 0 N-CA-C 110.166 -0.309 . . . . 74.02 110.166 179.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 60.9 t -62.15 -42.16 94.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.156 0.503 . . . . 75.41 109.925 179.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.418 ' O ' ' HG2' ' A' ' 36' ' ' GLN . . . -64.74 -37.89 89.14 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.69 -0.686 . . . . 71.21 110.628 177.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.548 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 41.5 mm-40 -66.82 -38.54 86.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.043 -0.526 . . . . 70.01 110.806 -179.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 79.2 mt -63.56 -42.96 98.31 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.999 -0.546 . . . . 72.33 109.838 176.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.524 ' HA ' HD12 ' A' ' 38' ' ' LEU . 97.3 mttt -67.15 -26.22 66.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.794 -0.639 . . . . 74.31 111.152 179.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.418 ' HG2' ' O ' ' A' ' 32' ' ' ALA . 15.6 mm100 -60.61 -50.5 73.26 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.967 -0.382 . . . . 73.31 109.967 174.127 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -60.74 -44.08 97.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.234 -0.439 . . . . 70.4 110.461 176.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.591 HD13 ' HA ' ' A' ' 45' ' ' VAL . 91.1 mt -58.94 -49.02 79.42 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.157 -0.474 . . . . 51.22 111.731 -177.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -69.77 -25.65 63.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.813 0.34 . . . . 75.24 111.549 -176.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 36' ' ' GLN . 84.3 mt -86.78 -36.32 18.64 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.949 0.404 . . . . 75.24 111.73 -178.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.46 ' HG2' ' HG2' ' A' ' 19' ' ' PRO . 17.2 mtp180 -98.83 12.61 35.17 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.39 -0.368 . . . . 65.11 111.163 -174.069 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.6 m 64.39 72.61 0.45 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.529 0.68 . . . . 54.02 111.266 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.448 ' HB2' ' HA ' ' A' ' 38' ' ' LEU . 16.4 mt -146.14 143.43 19.28 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.281 -0.872 . . . . 74.11 110.187 -179.173 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.508 ' HD2' ' HD3' ' A' ' 55' ' ' ARG . 27.0 Cg_exo -63.26 137.0 58.58 Favored 'Trans proline' 0 CA--C 1.53 0.281 0 C-N-CA 122.662 2.241 . . . . 71.42 112.142 177.172 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.591 ' HA ' HD13 ' A' ' 38' ' ' LEU . 33.3 m -94.43 5.63 7.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.213 -0.449 . . . . 75.32 111.058 -177.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 19.7 t -81.16 132.39 35.35 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.044 -0.525 . . . . 72.51 109.957 179.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 132.61 160.94 9.76 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 111.69 -0.564 . . . . 75.31 111.69 -178.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.499 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 32.1 p -78.14 170.35 16.77 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.561 0.181 . . . . 43.14 110.585 177.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.458 ' O ' HG13 ' A' ' 53' ' ' ILE . 87.6 tttt -48.35 -56.38 8.27 Favored 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.356 0.41 . . . . 63.11 112.001 -176.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 51.8 m -63.3 -33.59 75.85 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.589 0.233 . . . . 72.05 111.326 -177.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -69.34 -39.49 78.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.619 0.247 . . . . 63.21 110.56 178.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 48' ' ' THR . 83.3 mt -63.71 -42.73 97.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 73.23 109.898 176.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.528 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 76.9 mt -58.61 -49.13 83.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.86 -0.609 . . . . 64.24 110.533 175.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -63.4 -37.15 86.16 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.189 -0.459 . . . . 72.24 111.388 179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.508 ' HD3' ' HD2' ' A' ' 44' ' ' PRO . 45.6 ttm-85 -62.45 -40.97 98.33 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.839 -0.43 . . . . 61.15 109.839 178.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.455 ' O ' HD11 ' A' ' 22' ' ' LEU . 85.3 mt -64.32 -47.78 78.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.932 -0.576 . . . . 75.32 110.408 175.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.528 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 35.5 mtp180 -60.12 -43.1 95.91 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.929 -0.578 . . . . 72.22 110.999 -178.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.92 -36.59 83.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.955 0.407 . . . . 74.15 110.649 177.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.524 ' O ' HG12 ' A' ' 63' ' ' ILE . 63.8 t80 -62.28 -39.73 93.9 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.776 -0.647 . . . . 73.43 110.647 179.313 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.517 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 0.0 OUTLIER -81.43 -26.54 35.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.074 0.464 . . . . 72.41 110.141 -179.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -60.29 -46.32 90.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.07 -0.513 . . . . 74.5 110.733 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -71.86 -9.06 57.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 72.45 111.302 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.524 HG12 ' O ' ' A' ' 59' ' ' TYR . 48.4 mm -85.18 -39.3 13.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.307 0.575 . . . . 60.55 110.094 176.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.448 ' HA ' ' HD3' ' A' ' 65' ' ' PRO . 12.7 m -104.14 134.49 19.68 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.588 -0.733 . . . . 71.01 111.884 -171.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 64' ' ' SER . 14.8 Cg_exo -68.85 144.08 57.66 Favored 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 122.813 2.342 . . . . 61.2 111.515 175.463 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.514 ' HB ' ' HD2' ' A' ' 67' ' ' PRO . 31.8 m -66.36 159.19 74.24 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.216 -0.447 . . . . 53.32 110.65 179.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.514 ' HD2' ' HB ' ' A' ' 66' ' ' VAL . 13.8 Cg_endo -56.86 -24.23 55.11 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.867 2.378 . . . . 62.13 113.025 -179.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -86.26 0.37 87.22 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.982 -0.628 . . . . 73.0 112.534 178.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -114.16 157.73 41.47 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 109.993 -0.373 . . . . 74.21 109.993 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.484 ' HB3' ' HG3' ' A' ' 73' ' ' PRO . 53.0 Cg_exo -53.09 116.25 2.81 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.579 2.186 . . . . 71.14 112.128 176.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -75.33 -70.95 0.39 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.863 -0.608 . . . . 64.32 110.519 -176.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -144.47 81.09 11.44 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 115.854 -0.612 . . . . 53.13 110.242 177.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.484 ' HG3' ' HB3' ' A' ' 70' ' ' PRO . 5.6 Cg_endo -87.3 12.92 2.81 Favored 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 123.126 2.551 . . . . 54.5 111.986 -179.333 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -85.46 106.96 17.18 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.058 -0.519 . . . . 74.34 110.635 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 N-CA-C 109.344 -0.613 . . . . 38.03 109.344 178.324 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.479 0.989 0 N-CA-C 110.282 -0.266 . . . . 73.15 110.282 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.13 11.32 58.78 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 121.147 -0.549 . . . . 63.04 112.363 176.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.9 m80 66.33 23.87 10.65 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.089 0.471 . . . . 60.22 110.924 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 9.5 t60 -79.58 126.37 30.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.581 -0.736 . . . . 71.42 109.533 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -93.59 145.28 24.65 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.886 0.374 . . . . 62.52 110.807 -176.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -81.0 -178.12 6.74 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.644 -0.707 . . . . 63.33 110.967 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -114.07 134.69 54.7 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.904 -0.776 . . . . 71.3 108.904 174.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 13.8 p80 -80.06 75.02 6.83 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 122.122 0.963 . . . . 75.21 109.604 176.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.1 m -82.96 -61.85 1.75 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.882 -1.054 . . . . 65.14 111.821 -173.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -123.71 150.26 44.54 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.006 0.432 . . . . 75.22 111.53 -172.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 57.3 ttp -130.85 128.62 40.99 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.499 -0.773 . . . . 73.24 109.362 177.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 21.6 t -80.25 130.34 35.14 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.302 -0.408 . . . . 70.24 110.923 -175.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 p -119.13 144.36 35.92 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 115.87 -0.604 . . . . 62.2 110.236 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -60.31 118.92 5.85 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.553 2.169 . . . . 64.35 112.117 179.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.1 tt -88.51 124.93 34.48 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.425 -0.583 . . . . 61.53 109.425 179.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.5 p -127.64 114.61 17.59 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.073 0.463 . . . . 75.11 110.816 179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 158.81 146.31 4.5 Favored Glycine 0 N--CA 1.447 -0.593 0 C-N-CA 120.806 -0.711 . . . . 74.43 111.91 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.58 162.45 36.47 Favored Pre-proline 0 C--N 1.322 -0.628 0 N-CA-C 109.087 -0.708 . . . . 63.42 109.087 179.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_exo -63.49 80.32 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.975 2.45 . . . . 72.13 113.141 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -133.78 7.74 4.87 Favored Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 111.046 -0.821 . . . . 13.14 111.046 174.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.79 -168.49 1.79 Allowed 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.188 -0.301 . . . . 53.42 110.188 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.554 ' HG ' ' HG3' ' A' ' 60' ' ' GLN . 94.5 mt -124.95 140.05 34.95 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 116.431 -0.35 . . . . 62.51 110.407 177.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -64.62 148.55 90.42 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.193 1.929 . . . . 74.24 110.927 174.055 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.21 -34.3 78.05 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.92 0.391 . . . . 74.11 111.096 -178.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.543 ' HB3' ' HB3' ' A' ' 28' ' ' ASP . 2.9 m-20 -85.75 79.18 9.39 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.168 -0.469 . . . . 72.35 110.341 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 81.3 mt -95.66 -45.44 7.03 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.093 -0.503 . . . . 73.43 110.289 177.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -73.11 -24.74 60.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.855 -0.611 . . . . 73.11 110.081 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.543 ' HB3' ' HB3' ' A' ' 25' ' ' ASN . 25.2 t70 -73.71 -23.06 59.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.429 -0.805 . . . . 71.52 111.003 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.533 ' HB3' ' HB2' ' A' ' 33' ' ' GLU . 48.3 mtm -83.6 146.04 28.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.741 0.305 . . . . 72.23 110.323 179.496 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.482 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 55.5 mttp -65.31 164.08 14.22 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.935 -0.575 . . . . 73.34 111.459 178.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.3 t -56.98 -38.48 60.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.619 -0.719 . . . . 74.31 109.978 175.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.31 -43.45 98.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.171 -0.922 . . . . 72.41 111.242 178.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.533 ' HB2' ' HB3' ' A' ' 29' ' ' MET . 8.2 mm-40 -66.29 -37.63 85.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.31 -0.405 . . . . 72.53 110.744 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 96.6 mt -60.89 -43.51 98.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.018 -0.537 . . . . 72.41 110.26 176.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.536 ' HA ' HD12 ' A' ' 38' ' ' LEU . 98.4 mttt -65.58 -26.43 67.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.908 -0.587 . . . . 74.31 111.504 -178.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -59.36 -48.76 80.4 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.953 0.406 . . . . 74.44 110.163 175.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -67.76 -44.97 76.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.946 -0.57 . . . . 72.53 111.012 178.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.559 HD13 ' HA ' ' A' ' 45' ' ' VAL . 80.7 mt -54.7 -53.29 56.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 73.35 111.46 -178.342 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -66.04 -27.41 68.08 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.51 -0.313 . . . . 71.3 111.621 -174.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 71.5 mt -84.8 -32.05 23.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.984 0.421 . . . . 63.44 111.43 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 44.9 mtp180 -105.72 35.23 2.95 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.309 -0.405 . . . . 73.04 111.254 -172.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.9 m 63.16 27.88 15.78 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 115.907 -0.588 . . . . 73.1 112.553 170.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.571 HD21 ' HB2' ' A' ' 59' ' ' TYR . 44.6 mt -111.32 144.31 30.22 Favored Pre-proline 0 C--N 1.318 -0.79 0 CA-C-O 121.013 0.435 . . . . 74.41 111.905 -176.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.456 ' HG2' ' HD3' ' A' ' 55' ' ' ARG . 38.1 Cg_endo -68.54 132.69 25.97 Favored 'Trans proline' 0 N--CA 1.462 -0.338 0 C-N-CA 122.584 2.19 . . . . 64.32 111.831 175.078 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.559 ' HA ' HD13 ' A' ' 38' ' ' LEU . 26.8 m -89.36 7.26 3.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.044 -0.525 . . . . 75.23 111.08 -177.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.5 p -88.81 122.3 32.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.05 -0.523 . . . . 22.25 110.789 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 152.1 170.91 19.26 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.618 -0.801 . . . . 34.32 112.181 178.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.525 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 73.3 p -81.1 177.19 9.19 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.529 0.204 . . . . 74.21 110.559 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -54.18 -46.02 72.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.353 -0.385 . . . . 74.31 110.585 178.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 27.6 m -66.74 -44.09 82.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.246 -0.434 . . . . 74.41 110.996 179.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -58.63 -46.85 86.18 Favored 'General case' 0 C--N 1.334 -0.083 0 CA-C-N 116.161 -0.472 . . . . 45.43 111.952 -178.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.525 ' HG ' ' O ' ' A' ' 48' ' ' THR . 53.4 mt -63.27 -37.95 89.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.728 0.299 . . . . 73.0 111.229 -176.564 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 77.8 mt -66.28 -44.67 91.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.948 0.404 . . . . 64.52 110.582 178.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -67.78 -32.24 72.69 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.302 -0.408 . . . . 72.11 110.355 179.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.456 ' HD3' ' HG2' ' A' ' 44' ' ' PRO . 0.0 OUTLIER -61.07 -45.79 93.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.865 -0.607 . . . . 61.13 109.687 177.384 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.8 mt -60.43 -46.27 90.64 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.668 -0.696 . . . . 74.21 110.469 176.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 93.1 mtt180 -61.59 -40.97 96.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.796 -0.638 . . . . 72.33 111.325 -179.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.42 -33.8 76.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.381 -0.372 . . . . 53.41 111.029 178.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.571 ' HB2' HD21 ' A' ' 43' ' ' LEU . 68.8 t80 -72.47 -41.99 65.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.433 -0.349 . . . . 73.42 110.525 178.033 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.554 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 19.0 tm0? -65.24 -34.38 78.22 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.106 0.479 . . . . 73.14 109.874 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -60.14 -43.51 95.66 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.922 -0.581 . . . . 64.42 110.756 177.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -85.87 8.13 21.41 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.027 -0.533 . . . . 64.11 111.774 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 59' ' ' TYR . 29.8 mm -73.3 -31.06 32.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.166 0.508 . . . . 62.12 110.007 174.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.2 m -109.2 100.43 40.78 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 116.019 -0.537 . . . . 45.03 110.629 178.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -72.15 104.91 1.74 Allowed 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.168 1.912 . . . . 72.23 111.008 175.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.431 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 25.7 m -87.47 138.7 31.83 Favored Pre-proline 0 C--N 1.321 -0.641 0 CA-C-N 116.426 -0.352 . . . . 73.21 111.139 -175.107 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 66' ' ' VAL . 25.1 Cg_exo -63.73 138.13 62.36 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.654 2.236 . . . . 64.24 110.955 173.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.515 ' H ' ' HB2' ' A' ' 74' ' ' ALA . . . 85.2 -67.01 3.73 Favored Glycine 0 N--CA 1.446 -0.643 0 C-N-CA 120.604 -0.808 . . . . 72.22 111.36 -175.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.432 ' HB3' ' HB3' ' A' ' 72' ' ' ALA . . . 63.48 169.77 0.09 OUTLIER Pre-proline 0 N--CA 1.467 0.381 0 C-N-CA 123.004 0.521 . . . . 73.42 111.35 177.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 10.3 Cg_exo -72.26 77.13 2.09 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 121.979 1.786 . . . . 62.44 111.129 173.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.415 ' HE2' ' HB3' ' A' ' 71' ' ' LYS . 5.2 tmmm? 57.09 81.38 0.14 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.646 -0.706 . . . . 74.14 110.378 -176.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.432 ' HB3' ' HB3' ' A' ' 69' ' ' ALA . . . -163.25 161.13 18.34 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 115.794 -0.639 . . . . 35.15 110.183 -179.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_exo -63.25 147.21 94.05 Favored 'Trans proline' 0 C--O 1.234 0.299 0 C-N-CA 122.543 2.162 . . . . 64.01 111.867 174.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.515 ' HB2' ' H ' ' A' ' 68' ' ' GLY . . . -125.13 155.51 39.79 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.344 -0.389 . . . . 75.14 110.935 -178.382 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.234 0 CA-C-O 118.482 -0.77 . . . . 54.4 110.064 178.412 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.8 mmm . . . . . 0 N--CA 1.479 1.006 0 CA-C-O 120.791 0.329 . . . . 70.33 110.602 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 108.47 -121.83 6.42 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 121.013 -0.613 . . . . 50.13 112.054 177.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -98.42 159.74 14.75 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.874 -0.417 . . . . 64.12 109.874 178.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 29.0 m80 -75.41 108.5 8.25 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.805 -0.442 . . . . 73.4 109.805 176.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -73.52 -22.58 60.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.366 -0.834 . . . . 62.2 111.185 -175.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -93.0 74.73 4.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.576 0.703 . . . . 70.34 109.71 178.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -153.5 132.07 12.2 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.917 -1.038 . . . . 62.31 108.652 -178.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.9 m80 -102.53 147.83 26.29 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.278 0.561 . . . . 72.22 111.475 -175.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 39.6 t -87.56 118.75 27.25 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.289 -0.869 . . . . 74.42 109.213 173.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -83.43 -20.07 34.77 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.16 -0.681 . . . . 74.35 109.16 179.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 27.0 ttt -67.21 -32.6 73.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.412 -0.813 . . . . 70.11 109.471 174.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.0 m -83.81 91.31 7.51 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 115.627 -0.715 . . . . 63.01 109.467 175.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 38.1 m -102.91 138.74 19.65 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 115.557 -0.747 . . . . 71.15 110.274 -175.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 11.5 Cg_exo -71.07 92.75 0.64 Allowed 'Trans proline' 0 N--CA 1.456 -0.701 0 C-N-CA 122.028 1.819 . . . . 74.31 110.78 172.289 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.26 -35.11 77.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 70.0 110.308 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.3 t -139.6 165.05 28.28 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 115.915 -0.584 . . . . 63.3 109.461 177.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -117.46 -120.15 3.06 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.694 -0.765 . . . . 64.13 112.034 -178.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 69.2 mmtt -146.06 152.91 48.53 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 109.731 -0.47 . . . . 61.01 109.731 178.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 49.8 Cg_exo -57.77 125.91 20.14 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.845 2.363 . . . . 74.21 112.314 177.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 177.55 -33.78 0.08 OUTLIER Glycine 0 CA--C 1.508 -0.364 0 N-CA-C 110.926 -0.869 . . . . 51.13 110.926 -178.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.29 178.87 5.85 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.742 -0.466 . . . . 64.22 109.742 174.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.788 HD13 HD11 ' A' ' 26' ' ' LEU . 95.4 mt -90.0 154.74 47.52 Favored Pre-proline 0 C--N 1.319 -0.749 0 CA-C-N 116.653 -0.249 . . . . 74.32 110.901 -178.064 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.417 ' HD2' HD21 ' A' ' 26' ' ' LEU . 39.5 Cg_endo -69.58 -173.22 0.65 Allowed 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.531 2.154 . . . . 55.54 111.582 172.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -83.51 -49.07 9.61 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.889 0.376 . . . . 63.44 111.059 -176.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -104.51 89.61 3.27 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.096 0.474 . . . . 71.55 111.901 -176.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.788 HD11 HD13 ' A' ' 22' ' ' LEU . 95.9 mt -79.81 -21.95 43.64 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.447 0.642 . . . . 73.24 109.858 172.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.438 ' HA ' HD13 ' A' ' 53' ' ' ILE . 9.6 p-10 -80.21 -20.48 44.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.298 -0.865 . . . . 72.32 110.996 -176.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -80.65 -30.46 36.6 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.957 -0.565 . . . . 60.01 111.222 -175.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 66.0 mtm -70.2 163.46 26.35 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.032 0.444 . . . . 74.41 111.194 -177.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.559 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 65.2 mttt -73.11 168.14 19.7 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.782 -0.645 . . . . 72.34 110.256 -179.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.414 ' O ' ' HG3' ' A' ' 35' ' ' LYS . 61.0 t -67.86 -35.18 71.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.119 0.485 . . . . 74.04 109.84 178.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.87 -36.81 85.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.704 -0.68 . . . . 53.24 110.915 178.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.559 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 15.8 mm-40 -66.49 -40.32 89.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.18 0.514 . . . . 72.52 109.961 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.53 -42.09 99.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.545 -0.752 . . . . 72.01 110.254 177.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.543 ' HA ' HD12 ' A' ' 38' ' ' LEU . 96.3 mttt -60.3 -34.46 73.81 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.027 -0.533 . . . . 64.05 111.162 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -62.14 -46.08 90.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.658 0.265 . . . . 71.1 110.719 178.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -65.58 -28.86 69.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.038 0.446 . . . . 72.22 110.942 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.559 HD13 ' HA ' ' A' ' 45' ' ' VAL . 49.2 mt -78.13 -50.94 11.03 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.809 -0.632 . . . . 34.24 111.239 -179.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.5 ptmt -65.22 -25.64 67.78 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.453 -0.34 . . . . 64.31 111.517 -174.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 87.7 mt -79.98 -10.64 59.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.769 0.319 . . . . 75.55 111.138 178.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 58.2 mtt85 -125.34 17.65 8.29 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.57 -0.286 . . . . 62.52 111.327 -176.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.8 m 62.34 30.8 17.49 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.086 -0.506 . . . . 72.45 111.414 177.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.2 mt -96.63 149.56 35.96 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 116.107 -0.497 . . . . 75.15 110.756 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.548 ' HD2' ' HD3' ' A' ' 55' ' ' ARG . 25.7 Cg_exo -63.94 123.13 11.44 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.905 2.403 . . . . 52.53 112.182 175.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.559 ' HA ' HD13 ' A' ' 38' ' ' LEU . 33.1 m -94.25 -7.8 9.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 72.13 111.1 -178.19 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.1 t -87.71 157.45 19.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.998 -0.547 . . . . 74.42 110.056 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.96 -166.76 12.46 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.889 -0.672 . . . . 52.55 111.8 -178.662 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.475 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 36.3 p -83.91 166.62 17.7 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 110.389 -0.226 . . . . 73.04 110.389 178.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.419 ' O ' HG13 ' A' ' 53' ' ' ILE . 88.5 tttt -63.37 -38.2 90.24 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.775 -0.454 . . . . 65.44 109.775 177.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 13.6 m -56.63 -41.07 76.5 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.995 -0.548 . . . . 61.31 110.737 177.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -59.03 -53.66 55.92 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.982 -0.554 . . . . 65.32 110.807 176.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 48' ' ' THR . 23.2 mt -61.57 -46.63 89.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.795 -0.639 . . . . 74.23 111.476 -173.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.466 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 92.4 mt -56.14 -54.41 27.8 Favored 'Isoleucine or valine' 0 C--O 1.235 0.305 0 CA-C-N 115.946 -0.57 . . . . 73.23 111.581 -178.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -77.52 -24.73 49.94 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.24 -0.437 . . . . 74.22 111.611 -173.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.548 ' HD3' ' HD2' ' A' ' 44' ' ' PRO . 26.8 ttm180 -64.28 -38.21 90.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.141 0.496 . . . . 64.31 109.855 175.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.79 -44.68 92.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.721 -0.672 . . . . 62.22 110.095 174.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.466 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 51.7 mtp180 -58.99 -50.78 72.8 Favored 'General case' 0 CA--C 1.522 -0.121 0 CA-C-N 115.92 -0.582 . . . . 74.2 110.283 179.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.22 -36.44 79.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.937 -0.574 . . . . 73.1 111.71 -178.654 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.588 ' O ' HG13 ' A' ' 63' ' ' ILE . 66.5 t80 -69.07 -43.17 75.12 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.299 -0.41 . . . . 74.34 110.529 -179.416 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.528 ' HG3' ' HG ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -74.21 -30.9 62.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.113 0.482 . . . . 65.01 110.189 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -59.18 -31.91 69.44 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.51 -0.768 . . . . 72.24 111.057 179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.8 pt20 -98.56 9.36 43.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.887 -0.597 . . . . 75.14 111.094 -178.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.588 HG13 ' O ' ' A' ' 59' ' ' TYR . 70.3 mt -97.71 -60.03 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.916 0.389 . . . . 70.41 110.549 176.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 42.5 m -146.71 94.05 4.77 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-O 120.895 0.379 . . . . 75.43 110.85 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_endo -88.61 19.08 1.37 Allowed 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 123.446 2.764 . . . . 63.42 112.139 177.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.8 m -129.79 155.64 80.15 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.019 -0.537 . . . . 52.1 110.944 -175.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -79.68 -15.07 12.38 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 123.235 2.623 . . . . 70.52 113.104 -178.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -105.53 -65.37 0.66 Allowed Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.521 -0.847 . . . . 73.14 111.917 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 68.61 154.23 0.14 Allowed Pre-proline 0 N--CA 1.466 0.326 0 C-N-CA 123.42 0.688 . . . . 74.42 112.203 177.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 22.5 Cg_endo -62.62 118.74 5.64 Favored 'Trans proline' 0 N--CA 1.461 -0.441 0 C-N-CA 122.228 1.952 . . . . 75.13 110.528 172.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 20.6 tptm -75.78 80.51 2.72 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.276 0.56 . . . . 74.22 111.109 -173.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -125.08 114.33 26.3 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 115.448 -0.796 . . . . 64.42 109.338 175.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.56 128.42 28.22 Favored 'Trans proline' 0 C--O 1.234 0.311 0 C-N-CA 122.825 2.35 . . . . 63.44 112.187 -178.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -107.66 149.45 28.09 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.148 -0.478 . . . . 55.33 111.009 -177.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.518 -0.753 . . . . 64.13 110.33 177.729 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mpp? . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 109.823 -0.436 . . . . 71.01 109.823 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 154.04 -160.09 29.19 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.225 -0.988 . . . . 64.22 112.517 -179.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 30.6 p-80 -127.48 -179.74 5.07 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.722 0.296 . . . . 73.32 110.715 -176.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 63.3 m80 -95.12 158.56 15.41 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.998 -0.546 . . . . 72.33 109.898 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.7 m-70 -83.01 -68.66 0.69 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.338 -0.392 . . . . 71.3 110.895 -175.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 50.4 t60 58.08 41.83 23.4 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.339 0.59 . . . . 64.52 110.508 -179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -117.28 16.42 14.83 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.239 -0.437 . . . . 71.13 111.398 -178.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.5 t-80 -78.62 101.59 7.53 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.582 -0.525 . . . . 64.11 109.582 176.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.2 t -67.97 130.35 42.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.183 0.516 . . . . 74.34 110.429 -177.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.622 ' O ' ' HG2' ' A' ' 11' ' ' MET . 4.5 p80 -139.5 22.3 2.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.783 -0.644 . . . . 74.43 110.093 -178.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.622 ' HG2' ' O ' ' A' ' 10' ' ' HIS . 9.1 ptt? 67.96 136.73 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.739 1.216 . . . . 62.25 112.436 177.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 45.4 m -136.3 159.96 40.17 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.263 -0.88 . . . . 74.22 109.631 178.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.7 p -83.26 154.29 66.47 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-O 120.656 0.265 . . . . 74.24 111.164 178.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -64.32 120.76 8.17 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.562 2.174 . . . . 64.11 111.92 177.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.3 tp -97.01 99.94 11.46 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.224 -0.444 . . . . 73.45 109.906 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.1 m -73.21 -32.65 64.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.122 -0.49 . . . . 71.24 110.901 -178.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 167.95 -98.53 0.14 Allowed Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.479 -0.867 . . . . 72.41 112.74 178.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.452 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 19.9 ptpt -155.59 147.06 16.84 Favored Pre-proline 0 C--N 1.323 -0.58 0 N-CA-C 110.354 -0.239 . . . . 74.13 110.354 -176.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 18' ' ' LYS . 8.3 Cg_endo -88.27 105.35 0.5 Allowed 'Trans proline' 0 N--CA 1.452 -0.947 0 C-N-CA 123.025 2.483 . . . . 75.31 111.995 174.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.1 -40.5 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.744 -0.741 . . . . 32.03 111.922 179.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.38 149.2 31.54 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.313 -0.254 . . . . 62.33 110.313 -177.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 80.7 mt -88.5 152.06 49.06 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.526 -0.306 . . . . 74.23 110.315 177.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.405 ' HG2' HD23 ' A' ' 26' ' ' LEU . 17.8 Cg_endo -61.79 149.72 88.87 Favored 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.439 2.093 . . . . 73.33 111.342 174.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -75.47 -27.29 58.79 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.189 0.518 . . . . 54.14 110.534 -177.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.611 ' HB3' ' HB2' ' A' ' 28' ' ' ASP . 18.8 m120 -100.11 78.06 2.04 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.577 -0.738 . . . . 42.33 110.337 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.405 HD23 ' HG2' ' A' ' 23' ' ' PRO . 75.0 mt -84.79 -39.52 18.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.001 0.429 . . . . 75.52 110.76 -179.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -73.26 -20.71 60.77 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.289 0.566 . . . . 61.04 110.398 -179.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.611 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 12.1 m-20 -77.83 -18.11 56.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.842 -0.617 . . . . 45.21 110.163 177.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.441 ' HG2' ' O ' ' A' ' 25' ' ' ASN . 68.4 mmm -77.81 146.67 35.63 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.807 -0.633 . . . . 70.14 110.018 178.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.504 ' HB2' ' HG2' ' A' ' 33' ' ' GLU . 24.8 mtpp -78.24 166.57 22.56 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.464 -0.335 . . . . 72.33 110.408 179.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.9 t -61.58 -38.81 81.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.103 0.478 . . . . 74.43 110.409 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.16 -23.78 65.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.804 -0.635 . . . . 65.13 110.882 178.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.504 ' HG2' ' HB2' ' A' ' 30' ' ' LYS . 9.6 mm-40 -78.95 -44.4 22.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.021 -0.536 . . . . 72.2 110.073 178.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 86.2 mt -59.43 -43.37 93.09 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.558 -0.746 . . . . 55.43 110.586 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.5 ' HA ' HD12 ' A' ' 38' ' ' LEU . 97.2 mttt -58.44 -34.1 70.45 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.995 -0.548 . . . . 72.33 111.528 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.404 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 15.6 mm100 -60.4 -51.84 67.76 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.464 -0.334 . . . . 73.14 111.01 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.9 mt-10 -71.86 -28.13 63.33 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.775 -0.37 . . . . 72.02 111.338 -179.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 35' ' ' LYS . 78.2 mt -62.35 -56.56 17.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.608 0.242 . . . . 72.15 110.576 175.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.448 ' HE2' HG11 ' A' ' 45' ' ' VAL . 17.2 ptpt -64.87 -27.17 68.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.497 -0.319 . . . . 74.33 111.413 -175.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 36' ' ' GLN . 90.8 mt -80.6 -17.61 50.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.575 0.226 . . . . 62.52 111.325 -179.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 74.6 mtt-85 -112.74 23.08 13.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.551 0.215 . . . . 73.42 111.048 -178.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.8 t 69.08 20.72 7.6 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.951 -0.568 . . . . 64.42 111.559 175.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.427 HD22 ' HG2' ' A' ' 55' ' ' ARG . 36.3 mt -99.82 145.3 29.91 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.373 -0.376 . . . . 74.12 110.981 -178.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -63.88 141.13 76.65 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.833 2.355 . . . . 74.12 111.689 174.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.448 HG11 ' HE2' ' A' ' 39' ' ' LYS . 32.5 m -99.12 -11.46 8.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.847 0.356 . . . . 72.21 111.638 -174.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 32.3 t -82.15 142.86 31.86 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.393 -0.367 . . . . 74.04 110.187 178.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 137.29 168.4 11.36 Favored Glycine 0 N--CA 1.445 -0.738 0 C-N-CA 120.879 -0.676 . . . . 45.11 111.843 -179.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.603 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 23.5 p -73.99 162.18 29.31 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.573 0.187 . . . . 70.5 110.855 179.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.436 ' O ' HG13 ' A' ' 53' ' ' ILE . 75.5 tttt -54.28 -51.33 64.95 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 120.853 0.359 . . . . 73.52 111.098 -176.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 14.2 m -59.42 -40.75 87.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.913 -0.585 . . . . 72.3 110.895 -178.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -61.18 -45.04 96.22 Favored 'General case' 0 N--CA 1.456 -0.133 0 CA-C-N 115.933 -0.576 . . . . 73.52 110.775 178.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.603 ' HG ' ' O ' ' A' ' 48' ' ' THR . 55.0 mt -62.69 -42.44 99.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 71.14 110.653 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.496 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 81.9 mt -60.63 -51.94 67.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.174 -0.466 . . . . 72.34 110.887 178.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.48 ' HG2' ' NH2' ' A' ' 57' ' ' ARG . 33.4 mt-10 -67.31 -31.4 71.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.417 -0.356 . . . . 74.51 111.133 -178.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.427 ' HG2' HD22 ' A' ' 43' ' ' LEU . 33.8 ttm180 -59.85 -40.25 87.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.135 0.493 . . . . 74.0 109.877 177.37 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 88.4 mt -68.95 -44.57 72.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.634 -0.712 . . . . 74.51 110.506 175.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 25.9 mtm180 -66.31 -34.14 77.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.369 -0.378 . . . . 70.12 111.393 -176.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.24 -31.44 60.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.117 0.484 . . . . 65.13 110.505 177.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.47 ' O ' HG13 ' A' ' 63' ' ' ILE . 92.9 t80 -68.89 -43.18 75.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.936 -0.575 . . . . 73.14 110.209 176.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 25.3 tm0? -73.74 -29.83 62.46 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.939 -0.573 . . . . 74.24 110.399 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -57.65 -44.3 85.55 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.248 -0.433 . . . . 74.03 111.304 178.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -78.42 -7.73 57.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.435 . . . . 74.35 111.131 -178.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 59' ' ' TYR . 74.3 mt -86.35 -31.34 6.31 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-O 121.243 0.544 . . . . 73.31 109.678 175.478 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 39.1 t -93.43 141.86 24.46 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.364 -0.834 . . . . 72.32 110.709 -178.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -57.34 113.95 1.72 Allowed 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.868 2.379 . . . . 73.42 112.152 175.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.422 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 27.1 m -80.62 137.92 51.11 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.018 -0.537 . . . . 75.11 111.313 -178.192 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 66' ' ' VAL . 52.3 Cg_exo -56.44 -61.94 0.29 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 123.001 2.467 . . . . 64.22 112.646 177.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -146.63 -3.38 0.51 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.183 -1.008 . . . . 52.01 113.442 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . 63.83 97.81 0.04 OUTLIER Pre-proline 0 N--CA 1.464 0.259 0 C-N-CA 122.909 0.484 . . . . 34.33 110.426 -176.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 48.3 Cg_exo -54.89 100.02 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 123.325 2.683 . . . . 73.43 113.104 -174.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.454 ' HD2' ' HA ' ' A' ' 71' ' ' LYS . 41.0 tptt -89.39 98.99 12.08 Favored 'General case' 0 N--CA 1.447 -0.593 0 N-CA-C 108.584 -0.895 . . . . 75.14 108.584 175.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -43.93 108.93 0.75 Allowed Pre-proline 0 N--CA 1.464 0.268 0 O-C-N 124.045 0.841 . . . . 74.23 112.856 -172.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -97.47 -173.46 0.19 Allowed 'Trans proline' 0 N--CA 1.45 -1.061 0 C-N-CA 123.566 2.844 . . . . 75.54 111.941 176.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -150.5 155.5 39.61 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.358 -0.383 . . . . 54.54 110.007 178.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.868 0 CA-C-O 118.578 -0.725 . . . . 75.43 109.802 178.114 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.3 ttp . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.555 0.217 . . . . 73.13 111.142 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -75.52 -4.95 76.65 Favored Glycine 0 C--N 1.335 0.495 0 C-N-CA 121.46 -0.4 . . . . 61.33 113.595 -175.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.6 m80 -124.15 -43.08 2.1 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.005 0.431 . . . . 74.14 110.269 176.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 52.7 m-70 -107.6 109.19 20.76 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.269 -0.641 . . . . 72.4 109.269 174.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -111.25 116.07 30.41 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.088 -0.506 . . . . 74.25 110.573 -174.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 54.7 m-70 -112.1 114.97 28.11 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.062 -0.517 . . . . 70.31 110.686 176.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -147.12 3.34 0.8 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.93 -0.577 . . . . 71.13 109.958 177.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 69.7 m-70 -134.78 152.53 51.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.85 -0.614 . . . . 71.42 109.599 177.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.7 t -146.25 134.49 21.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.935 0.398 . . . . 72.33 110.567 178.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -117.97 91.33 3.54 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.183 -0.673 . . . . 72.13 109.183 178.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 66.8 mtt -97.45 -54.52 3.11 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.394 -0.366 . . . . 64.23 110.611 -176.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 74.3 m 58.08 74.13 0.44 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.637 0.732 . . . . 53.52 110.521 -174.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.0 m -74.02 128.93 85.64 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 114.64 -1.164 . . . . 75.23 110.885 -176.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.51 130.54 41.07 Favored 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.757 2.305 . . . . 74.05 112.016 177.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.0 mt -76.46 135.68 39.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.09 -0.505 . . . . 73.22 110.697 -178.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 6.4 m -88.55 115.34 26.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.098 -0.501 . . . . 74.25 110.443 -178.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 141.75 -121.42 1.83 Allowed Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.854 -0.689 . . . . 73.41 112.402 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.45 ' HE2' ' HB3' ' A' ' 18' ' ' LYS . 40.9 mtpt 60.0 101.62 0.04 OUTLIER Pre-proline 0 N--CA 1.464 0.271 0 C-N-CA 123.415 0.686 . . . . 72.1 112.069 -178.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.08 118.09 5.21 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 122.507 2.138 . . . . 72.43 112.463 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.91 -36.14 14.12 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 110.903 -0.879 . . . . 54.01 110.903 174.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.32 -174.21 2.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.286 -0.457 . . . . 65.43 110.571 177.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 91.6 mt -103.76 146.75 33.1 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 120.827 0.346 . . . . 55.33 111.752 -173.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_endo -70.35 153.79 65.92 Favored 'Trans proline' 0 N--CA 1.463 -0.274 0 C-N-CA 122.399 2.066 . . . . 71.13 110.444 169.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -84.31 1.77 43.39 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 120.85 0.357 . . . . 71.0 111.46 -176.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.511 ' O ' ' HG3' ' A' ' 29' ' ' MET . 0.9 OUTLIER -104.74 36.27 2.49 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.417 -0.356 . . . . 62.13 111.371 -178.388 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 94.5 mt -57.63 -40.63 79.67 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.943 0.349 . . . . 72.41 111.943 -176.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -82.24 -17.13 47.1 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.156 0.503 . . . . 72.11 110.421 -178.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.506 ' HB2' ' HB3' ' A' ' 25' ' ' ASN . 8.6 m-20 -84.48 -9.33 58.46 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.733 -0.667 . . . . 72.22 110.028 177.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . 0.511 ' HG3' ' O ' ' A' ' 25' ' ' ASN . 89.9 mtp -94.92 147.08 23.76 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.843 -0.617 . . . . 50.51 110.583 -179.465 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.408 ' O ' ' HG ' ' A' ' 34' ' ' LEU . 57.0 mttp -82.74 174.55 10.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.892 -0.595 . . . . 61.23 110.946 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.511 HG12 ' HE3' ' A' ' 35' ' ' LYS . 36.5 t -61.47 -46.3 96.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.81 -0.632 . . . . 65.44 110.02 179.549 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -61.91 -40.67 96.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.739 -0.664 . . . . 72.23 110.963 178.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -63.57 -43.61 96.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.27 -0.423 . . . . 74.34 110.997 179.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 30' ' ' LYS . 95.7 mt -65.56 -39.0 91.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.38 -0.373 . . . . 73.43 111.213 -178.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.567 ' HA ' HD12 ' A' ' 38' ' ' LEU . 98.2 mttt -60.34 -32.93 71.72 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.397 -0.365 . . . . 74.13 111.422 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.406 ' O ' ' HG ' ' A' ' 40' ' ' LEU . 15.9 mm100 -63.46 -49.3 74.19 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.883 -0.414 . . . . 75.34 109.883 176.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' HG3' ' HE1' ' A' ' 29' ' ' MET . 50.3 mm-40 -63.93 -34.11 77.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.621 -0.718 . . . . 65.1 111.374 -179.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.567 HD12 ' HA ' ' A' ' 35' ' ' LYS . 59.5 mt -63.48 -61.1 2.56 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.002 -0.544 . . . . 72.53 111.388 179.29 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -66.88 -26.44 66.88 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.128 0.418 . . . . 60.51 112.128 -172.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 36' ' ' GLN . 69.2 mt -68.94 -22.74 64.11 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.003 0.43 . . . . 63.52 110.719 176.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 83.8 mtt85 -105.99 13.22 29.57 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.125 -0.489 . . . . 74.14 110.226 177.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.5 m 61.77 67.94 0.73 Allowed 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.815 -0.629 . . . . 73.44 110.845 -177.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 33.2 mt -136.63 145.61 51.99 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.789 -0.641 . . . . 51.33 110.37 -179.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.53 ' HD2' ' HD3' ' A' ' 55' ' ' ARG . 36.3 Cg_exo -60.47 142.19 97.37 Favored 'Trans proline' 0 C--O 1.234 0.32 0 C-N-CA 122.607 2.205 . . . . 60.01 111.465 175.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.53 ' O ' ' HE2' ' A' ' 35' ' ' LYS . 35.5 m -107.57 1.23 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 120.911 0.386 . . . . 64.42 111.626 -175.09 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 6.9 m -73.39 159.75 32.82 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.257 -0.429 . . . . 73.23 110.808 178.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 106.2 -174.24 20.38 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.807 -0.711 . . . . 74.21 112.392 179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.646 ' O ' ' HG ' ' A' ' 52' ' ' LEU . 7.3 p -96.58 -178.22 4.19 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 122.302 0.241 . . . . 62.42 110.543 178.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.508 ' HB2' HG22 ' A' ' 31' ' ' VAL . 82.8 tttt -53.03 -54.27 37.8 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.811 0.338 . . . . 71.32 111.465 -179.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 4.9 m -62.99 -36.04 82.21 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.232 -0.44 . . . . 73.43 111.348 -175.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 55.9 mm-40 -59.14 -41.97 89.55 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.968 0.413 . . . . 54.32 110.167 177.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' A' ' 48' ' ' THR . 22.7 mt -67.67 -41.09 84.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.885 -0.598 . . . . 73.22 110.34 -179.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.556 ' O ' ' HG3' ' A' ' 57' ' ' ARG . 74.2 mt -59.31 -51.56 71.14 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-N 116.093 -0.503 . . . . 73.14 110.585 178.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -64.09 -36.34 83.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 72.32 110.976 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.53 ' HD3' ' HD2' ' A' ' 44' ' ' PRO . 37.6 ttm180 -65.27 -41.53 94.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.892 -0.595 . . . . 70.43 110.621 178.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 59.5 mt -61.63 -42.89 99.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 63.44 110.627 175.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.556 ' HG3' ' O ' ' A' ' 53' ' ' ILE . 63.2 mtp180 -61.04 -41.08 95.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.172 -0.467 . . . . 72.43 110.608 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.76 -32.45 73.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.966 -0.561 . . . . 60.23 111.249 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.601 ' O ' HG12 ' A' ' 63' ' ' ILE . 87.4 t80 -76.23 -40.52 51.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.519 -0.31 . . . . 75.1 110.752 178.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.7 tm0? -65.05 -39.53 93.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.964 0.412 . . . . 71.21 110.106 -178.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -59.42 -42.55 92.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.959 -0.564 . . . . 74.45 110.987 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -80.58 -2.46 46.43 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.386 -0.37 . . . . 73.51 111.407 -176.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.601 HG12 ' O ' ' A' ' 59' ' ' TYR . 33.4 mm -76.87 -23.32 15.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 N-CA-C 109.549 -0.537 . . . . 73.34 109.549 173.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 14.9 m 71.64 90.52 0.07 OUTLIER Pre-proline 0 N--CA 1.464 0.231 0 CA-C-N 115.187 -0.915 . . . . 74.5 110.862 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -68.98 120.71 7.59 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.877 2.385 . . . . 74.3 111.667 178.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.447 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 30.2 m -65.07 142.88 98.75 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.199 -0.455 . . . . 65.4 111.405 -179.386 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' A' ' 66' ' ' VAL . 11.4 Cg_exo -70.63 -78.49 0.01 OUTLIER 'Trans proline' 0 N--CA 1.461 -0.405 0 C-N-CA 122.815 2.343 . . . . 75.11 112.492 -179.185 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -121.81 54.26 0.69 Allowed Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 120.684 -0.769 . . . . 73.34 112.147 -178.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -115.51 101.41 54.26 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-O 120.676 0.274 . . . . 64.4 110.426 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.67 112.51 3.5 Favored 'Trans proline' 0 C--O 1.235 0.337 0 C-N-CA 122.719 2.279 . . . . 70.44 112.476 -178.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.428 ' HD3' ' HA ' ' A' ' 71' ' ' LYS . 69.8 mmtt -110.37 13.56 22.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.25 0.548 . . . . 62.31 110.522 177.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -147.59 143.69 18.29 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-N 115.308 -0.86 . . . . 53.41 109.521 177.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 7.6 Cg_exo -72.57 94.48 0.77 Allowed 'Trans proline' 0 N--CA 1.462 -0.353 0 C-N-CA 122.754 2.302 . . . . 72.14 111.824 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -159.38 179.25 9.12 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.918 -0.583 . . . . 72.52 109.889 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.62 -0.705 . . . . 74.1 109.651 177.78 . . . . . . . . 0 0 . 1 stop_ save_