data_2m3o_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 2m3o _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.48 0.181 . . . . 72.5 110.905 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -68.43 172.01 12.0 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.901 2.401 . . . . 54.310000000000002 111.876 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -57.75 135.87 56.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.109 -0.496 . . . . 74.019999999999996 110.748 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 77.64 -5.33 52.7 Favored Glycine 0 CA--C 1.52 0.391 0 CA-C-N 115.84 -0.618 . . . . 70.530000000000001 113.893 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 427' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -102.88 124.83 49.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 117.529 0.665 . . . . 74.099999999999994 111.47 -178.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -114.45 165.41 12.77 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.045 -0.724 . . . . 71.349999999999994 109.045 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 14.2 p -135.66 135.98 50.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.484 -0.562 . . . . 70.030000000000001 109.484 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 430' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -138.12 170.05 16.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.426 -0.352 . . . . 74.439999999999998 110.142 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -106.85 133.8 50.96 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.781 0.324 . . . . 74.530000000000001 110.358 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -85.73 155.68 58.79 Favored Pre-proline 0 C--N 1.319 -0.76 0 N-CA-C 108.95 -0.759 . . . . 72.430000000000007 108.95 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.14 -23.58 45.44 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.552 2.168 . . . . 72.510000000000005 112.182 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -74.88 -14.47 60.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 74.400000000000006 111.262 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 106.95 -19.54 35.14 Favored Glycine 0 CA--C 1.518 0.226 0 C-N-CA 120.732 -0.747 . . . . 53.0 112.804 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 436' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -81.0 140.25 49.87 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-O 120.859 0.361 . . . . 72.209999999999994 111.269 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -83.16 140.16 9.75 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.798 2.332 . . . . 73.409999999999997 112.103 177.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -131.11 149.72 52.47 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.007 0.432 . . . . 74.340000000000003 109.987 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -96.9 141.66 29.82 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.583 -0.735 . . . . 72.319999999999993 110.58 -177.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 440' ' ' ILE . . . . . 0.46 HD13 HD21 ' P' ' 647' ' ' LEU . 13.8 mt -121.54 114.22 42.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.251 -0.886 . . . . 74.319999999999993 110.465 -176.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 441' ' ' ASP . . . . . 0.571 ' OD2' HG21 ' W' ' 444' ' ' THR . 18.8 t70 -89.0 109.67 20.47 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.066 0.46 . . . . 71.409999999999997 110.884 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -61.8 -24.57 66.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.641 -0.709 . . . . 72.230000000000004 112.141 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -66.58 -56.88 8.7 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.436 0.532 . . . . 61.149999999999999 112.436 -174.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 444' ' ' THR . . . . . 0.571 HG21 ' OD2' ' W' ' 441' ' ' ASP . 14.8 t -111.19 11.29 21.83 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.23 0.456 . . . . 75.239999999999995 112.23 -177.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp 64.0 29.13 14.39 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.141 -0.482 . . . . 64.540000000000006 112.009 175.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 4.1 t -104.7 151.23 23.96 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.258 0.551 . . . . 73.439999999999998 111.195 -178.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 447' ' ' THR . . . . . . . . . . . . . 2.7 p -116.03 146.86 41.81 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.702 -0.681 . . . . 75.409999999999997 110.083 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 8.9 t -145.37 150.96 37.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.002 0.43 . . . . 71.329999999999998 111.606 -179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -97.05 -9.44 28.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.321 0.581 . . . . 72.340000000000003 109.532 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -85.7 151.65 23.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.18 -0.918 . . . . 72.349999999999994 110.111 -176.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 451' ' ' ASP . . . . . 0.419 ' HB3' ' HG ' ' W' ' 454' ' ' LEU . 12.9 t70 -94.87 123.53 57.4 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 109.977 -0.379 . . . . 72.099999999999994 109.977 -176.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -81.68 -4.87 12.32 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.782 2.321 . . . . 73.200000000000003 113.957 -177.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 453' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -93.75 -32.48 13.99 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.942 -0.303 . . . . 72.310000000000002 111.701 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 454' ' ' LEU . . . . . 0.896 HD13 ' HG3' ' W' ' 455' ' ' LYS . 3.7 pp -78.11 -8.5 58.33 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.268 0.556 . . . . 75.349999999999994 110.724 178.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 455' ' ' LYS . . . . . 0.896 ' HG3' HD13 ' W' ' 454' ' ' LEU . 61.1 mtpt . . . . . 0 C--N 1.324 -0.503 0 N-CA-C 107.673 -1.232 . . . . 75.239999999999995 107.673 174.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo . . . . . 0 N--CA 1.462 -0.369 0 CA-C-O 120.625 0.177 . . . . 74.129999999999995 111.705 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' P' P ' 641' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -81.2 150.34 17.59 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.077 1.851 . . . . 73.109999999999999 111.999 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 642' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.97 140.26 91.9 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.677 2.251 . . . . 75.200000000000003 112.104 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -68.52 163.89 22.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.133 0.492 . . . . 65.430000000000007 111.078 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -61.22 -39.75 91.42 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.6 -0.727 . . . . 54.310000000000002 111.082 -177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -76.01 -20.34 57.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.542 0.687 . . . . 72.230000000000004 110.221 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 95.0 m -78.16 -36.98 46.91 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.2 -0.909 . . . . 71.109999999999999 110.869 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' P' P ' 647' ' ' LEU . . . . . 0.46 HD21 HD13 ' W' ' 440' ' ' ILE . 4.2 pp -90.69 -6.27 54.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.889 -0.596 . . . . 71.219999999999999 111.475 -177.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.773 -0.727 . . . . 65.140000000000001 112.129 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 C--O 1.232 0.155 0 N-CA-C 110.158 -0.312 . . . . 71.129999999999995 110.158 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.52 164.2 24.42 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.637 2.225 . . . . 72.200000000000003 111.772 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 425' ' ' LYS . . . . . 0.432 ' C ' ' HD3' ' W' ' 425' ' ' LYS . 0.6 OUTLIER -50.59 125.91 14.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.402 0.62 . . . . 75.200000000000003 111.725 179.419 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 77.82 4.84 86.05 Favored Glycine 0 C--O 1.223 -0.556 0 CA-C-N 115.208 -0.906 . . . . 75.150000000000006 114.267 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 427' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -102.92 122.6 44.91 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 118.136 0.968 . . . . 73.430000000000007 110.596 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 428' ' ' GLU . . . . . 0.43 ' HB2' ' CD2' ' W' ' 442' ' ' HIS . 6.5 tp10 -114.01 165.81 12.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.631 -0.713 . . . . 74.340000000000003 109.181 -179.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 5.9 p -135.85 132.12 50.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 N-CA-C 109.315 -0.624 . . . . 72.329999999999998 109.315 176.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 430' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' W' ' 437' ' ' PRO . 6.7 mtt180 -124.17 161.42 25.74 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.479 -0.328 . . . . 72.329999999999998 110.186 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -98.94 118.81 36.56 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 110.195 -0.298 . . . . 74.239999999999995 110.195 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 432' ' ' ALA . . . . . 0.461 ' HB3' ' HD2' ' W' ' 438' ' ' PHE . . . -75.72 154.88 85.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 116.346 -0.388 . . . . 71.120000000000005 110.394 -179.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -57.91 -20.59 45.16 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.642 2.228 . . . . 75.349999999999994 111.97 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 -69.54 -15.93 63.33 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.113 -0.494 . . . . 75.140000000000001 110.663 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 96.59 18.05 31.58 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.81 -0.71 . . . . 72.209999999999994 112.355 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 436' ' ' ARG . . . . . 0.549 ' HG2' ' HD2' ' W' ' 437' ' ' PRO . 1.9 tmm_? -135.47 137.26 25.75 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 109.455 -0.572 . . . . 73.010000000000005 109.455 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 437' ' ' PRO . . . . . 0.549 ' HD2' ' HG2' ' W' ' 436' ' ' ARG . 55.2 Cg_endo -71.64 149.63 55.43 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.701 2.267 . . . . 64.010000000000005 114.114 -178.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 438' ' ' PHE . . . . . 0.461 ' HD2' ' HB3' ' W' ' 432' ' ' ALA . 52.1 p90 -134.78 157.49 46.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.939 -1.028 . . . . 74.040000000000006 108.408 174.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -100.2 141.91 32.4 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.411 0.624 . . . . 75.519999999999996 111.937 -175.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 440' ' ' ILE . . . . . 0.752 HG12 HG22 ' W' ' 447' ' ' THR . 35.9 mt -122.45 115.59 46.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.148 -0.933 . . . . 71.439999999999998 109.927 -178.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 441' ' ' ASP . . . . . 0.573 ' OD2' HG21 ' W' ' 444' ' ' THR . 17.7 t70 -85.84 109.02 18.4 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.994 0.426 . . . . 75.129999999999995 111.148 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 442' ' ' HIS . . . . . 0.43 ' CD2' ' HB2' ' W' ' 428' ' ' GLU . 60.7 m-70 -60.57 -23.91 65.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.987 -0.551 . . . . 72.439999999999998 111.792 177.136 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 443' ' ' ASN . . . . . 0.439 ' HB2' ' OD2' ' W' ' 441' ' ' ASP . 61.5 m-80 -62.2 -57.07 12.84 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.619 0.229 . . . . 63.310000000000002 111.619 -177.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 444' ' ' THR . . . . . 0.573 HG21 ' OD2' ' W' ' 441' ' ' ASP . 12.2 t -109.43 5.57 23.51 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.014 0.375 . . . . 74.310000000000002 112.014 -178.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 13.8 mptt 65.73 31.26 9.79 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 112.08 0.4 . . . . 75.109999999999999 112.08 177.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 4.5 t -104.41 161.84 13.74 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.301 -0.409 . . . . 74.109999999999999 110.906 -178.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 447' ' ' THR . . . . . 0.752 HG22 HG12 ' W' ' 440' ' ' ILE . 10.4 p -122.11 141.92 50.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.938 -0.574 . . . . 74.439999999999998 109.992 178.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 13.2 t -147.34 163.48 36.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.009 0.433 . . . . 71.409999999999997 111.118 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 449' ' ' TRP . . . . . 0.429 ' HZ2' ' HD3' ' P' ' 641' ' ' PRO . 86.1 m95 -104.36 -8.49 19.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.837 -0.62 . . . . 64.120000000000005 110.422 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -78.11 146.19 35.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.047 -0.524 . . . . 73.010000000000005 110.439 -178.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 451' ' ' ASP . . . . . 0.47 ' OD2' ' HG ' ' W' ' 454' ' ' LEU . 19.1 t70 -89.06 124.33 65.26 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.363 -0.38 . . . . 61.229999999999997 110.368 -178.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -86.94 -0.31 7.85 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.86 2.373 . . . . 73.040000000000006 113.553 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 453' ' ' ARG . . . . . . . . . . . . . 46.4 mtp85 -87.75 -46.51 9.41 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.188 0.44 . . . . 73.310000000000002 112.188 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 454' ' ' LEU . . . . . 0.47 ' HG ' ' OD2' ' W' ' 451' ' ' ASP . 3.7 pp -80.46 -10.3 59.75 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.812 -0.355 . . . . 73.420000000000002 111.744 -177.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 455' ' ' LYS . . . . . 0.49 ' HB2' ' HZ3' ' W' ' 455' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--N 1.323 -0.552 0 N-CA-C 109.774 -0.454 . . . . 74.340000000000003 109.774 178.471 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo . . . . . 0 C--O 1.234 0.279 0 CA-C-O 120.533 0.139 . . . . 65.420000000000002 112.328 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' P' P ' 641' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' P' ' 642' ' ' PRO . 92.9 Cg_endo -82.07 138.74 10.35 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.547 2.165 . . . . 74.239999999999995 112.084 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 642' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' P' ' 641' ' ' PRO . 6.0 Cg_exo -78.14 173.64 13.62 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 123.184 2.59 . . . . 73.25 112.098 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -70.35 159.28 34.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.381 -0.372 . . . . 63.43 110.113 177.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -59.22 -44.14 92.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.84 0.352 . . . . 72.140000000000001 111.701 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -72.93 -15.47 61.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.36 0.6 . . . . 71.230000000000004 110.529 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 90.4 m -87.56 -40.17 14.49 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.086 -0.961 . . . . 72.540000000000006 110.763 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 647' ' ' LEU . . . . . . . . . . . . . 4.2 pp -84.61 -16.44 42.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.905 -0.589 . . . . 74.430000000000007 111.476 -177.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.444 0 C-N-CA 120.675 -0.774 . . . . 61.299999999999997 112.067 179.732 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 C--O 1.234 0.24 0 N-CA-C 109.124 -0.695 . . . . 71.150000000000006 109.124 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' W' W ' 424' ' ' PRO . . . . . 0.568 ' HB2' ' CD1' ' W' ' 427' ' ' TRP . 50.4 Cg_exo -53.39 145.03 47.59 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.128 1.886 . . . . 75.420000000000002 111.056 177.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -58.35 107.41 0.49 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.336 0.588 . . . . 72.430000000000007 111.49 -175.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 121.51 -6.24 10.67 Favored Glycine 0 N--CA 1.446 -0.659 0 CA-C-N 115.223 -0.899 . . . . 72.420000000000002 111.864 177.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 427' ' ' TRP . . . . . 0.568 ' CD1' ' HB2' ' W' ' 424' ' ' PRO . 32.7 m95 -100.21 124.98 46.29 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.905 -0.406 . . . . 75.430000000000007 109.905 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -127.78 156.62 42.18 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.835 -0.432 . . . . 73.439999999999998 109.835 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 43.0 t -103.55 135.53 40.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.918 0.39 . . . . 74.299999999999997 111.046 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 430' ' ' ARG . . . . . 0.543 ' HD2' HD11 ' W' ' 440' ' ' ILE . 0.2 OUTLIER -118.44 -153.77 0.54 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 75.150000000000006 110.566 179.692 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 12.6 m80 -151.32 111.23 4.07 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.948 -0.39 . . . . 72.530000000000001 109.948 -170.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 432' ' ' ALA . . . . . 0.45 ' HB3' ' HD1' ' W' ' 438' ' ' PHE . . . -90.21 149.9 42.21 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.676 -0.238 . . . . 74.200000000000003 110.43 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -51.92 -31.84 44.95 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.328 2.685 . . . . 75.439999999999998 112.921 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -64.95 -14.3 59.67 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.636 0.255 . . . . 74.450000000000003 111.611 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 94.84 23.75 19.68 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.505 -0.855 . . . . 75.040000000000006 111.461 -178.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 436' ' ' ARG . . . . . 0.414 ' HA ' ' HD3' ' W' ' 437' ' ' PRO . 15.3 mmm180 -119.47 123.14 28.85 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.483 -0.359 . . . . 73.129999999999995 110.869 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 437' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' W' ' 436' ' ' ARG . 11.7 Cg_exo -73.26 107.86 2.48 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 123.107 2.538 . . . . 75.030000000000001 111.919 177.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 438' ' ' PHE . . . . . 0.45 ' HD1' ' HB3' ' W' ' 432' ' ' ALA . 53.9 p90 -95.5 155.11 16.88 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.879 -0.415 . . . . 74.299999999999997 109.879 177.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -95.24 138.32 33.1 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.256 0.55 . . . . 73.219999999999999 110.986 -176.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 440' ' ' ILE . . . . . 0.543 HD11 ' HD2' ' W' ' 430' ' ' ARG . 34.7 mt -110.09 116.08 51.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.534 -0.757 . . . . 75.319999999999993 109.831 179.034 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 441' ' ' ASP . . . . . 0.534 ' OD2' HG21 ' W' ' 444' ' ' THR . 25.1 t70 -90.71 110.7 21.87 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.108 -0.701 . . . . 75.140000000000001 109.108 175.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -78.57 -8.31 58.47 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.468 -0.787 . . . . 75.129999999999995 110.659 -177.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -75.45 -57.74 3.7 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.046 0.387 . . . . 74.329999999999998 112.046 -177.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 444' ' ' THR . . . . . 0.534 HG21 ' OD2' ' W' ' 441' ' ' ASP . 13.8 t -101.97 1.89 37.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.806 0.336 . . . . 74.340000000000003 110.737 -179.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt 66.1 65.88 0.5 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.816 -0.629 . . . . 74.420000000000002 110.993 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 7.6 t -148.81 163.31 37.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.042 -0.527 . . . . 74.430000000000007 110.701 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 447' ' ' THR . . . . . . . . . . . . . 11.3 p -118.86 143.79 46.75 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.979 -0.378 . . . . 74.299999999999997 109.979 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 448' ' ' THR . . . . . 0.435 ' OG1' ' HG2' ' W' ' 450' ' ' GLU . 15.1 t -141.02 160.97 38.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.785 0.326 . . . . 72.409999999999997 111.251 -178.021 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 449' ' ' TRP . . . . . 0.562 ' HZ2' ' HD3' ' P' ' 641' ' ' PRO . 94.8 m95 -105.68 -7.92 18.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.263 -0.426 . . . . 64.219999999999999 111.46 -179.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 450' ' ' GLU . . . . . 0.435 ' HG2' ' OG1' ' W' ' 448' ' ' THR . 13.5 pt-20 -89.35 158.08 17.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.758 0.314 . . . . 74.219999999999999 111.218 -175.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -98.71 129.81 29.22 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 72.109999999999999 109.892 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -90.31 -18.02 1.4 Allowed 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 122.751 2.3 . . . . 74.319999999999993 114.668 -178.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 453' ' ' ARG . . . . . 0.88 ' HE ' ' HA ' ' W' ' 453' ' ' ARG . 2.3 mmp_? -93.56 -18.83 21.8 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 121.373 -0.83 . . . . 74.409999999999997 112.512 -177.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 86.2 mt -79.37 7.4 7.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.555 0.693 . . . . 73.329999999999998 109.585 174.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 455' ' ' LYS . . . . . 0.425 ' H ' ' C ' ' W' ' 453' ' ' ARG . 62.2 mmtt . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 114.873 -1.058 . . . . 75.430000000000007 108.776 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo . . . . . 0 C--O 1.234 0.323 0 CA-C-O 120.725 0.219 . . . . 54.439999999999998 112.362 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' P' P ' 641' ' ' PRO . . . . . 0.562 ' HD3' ' HZ2' ' W' ' 449' ' ' TRP . 60.3 Cg_endo -72.12 154.12 57.22 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 122.655 2.236 . . . . 73.140000000000001 112.054 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' P' P ' 642' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.12 162.62 41.21 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.628 2.218 . . . . 65.030000000000001 111.976 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -78.22 157.17 29.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.349 -0.387 . . . . 74.409999999999997 110.563 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -52.35 -37.07 55.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.524 -0.762 . . . . 74.030000000000001 111.905 -177.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -64.01 -49.93 70.49 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.453 0.538 . . . . 65.310000000000002 112.453 -176.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 14.4 t -74.54 -22.99 58.74 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.513 0.56 . . . . 73.209999999999994 112.513 -176.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 647' ' ' LEU . . . . . . . . . . . . . 4.6 pp -91.06 -26.19 19.28 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.557 -0.457 . . . . 72.400000000000006 111.413 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.407 0 C-N-CA 120.552 -0.832 . . . . 65.510000000000005 112.687 179.287 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 120.649 0.261 . . . . 74.420000000000002 110.991 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -63.15 168.04 11.52 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.498 2.132 . . . . 75.209999999999994 110.251 176.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -75.19 107.26 7.17 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.907 -0.717 . . . . 73.209999999999994 109.727 -177.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 133.97 -25.02 3.57 Favored Glycine 0 N--CA 1.437 -1.235 0 N-CA-C 110.158 -1.177 . . . . 74.299999999999997 110.158 -178.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 427' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -100.8 152.14 20.85 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.115 -0.328 . . . . 72.140000000000001 110.115 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -145.69 159.13 43.6 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.223 -1.029 . . . . 75.540000000000006 108.223 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 11.5 p -108.87 138.06 37.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 118.441 0.564 . . . . 72.400000000000006 110.109 178.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 430' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.52 -157.57 0.76 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.817 -0.628 . . . . 72.239999999999995 111.091 -177.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -152.0 113.89 4.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.751 0.31 . . . . 72.140000000000001 110.617 -171.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -85.6 154.33 58.98 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.23 -0.441 . . . . 72.299999999999997 110.051 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.26 -24.8 43.77 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.145 2.563 . . . . 74.049999999999997 113.248 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -75.31 -5.69 46.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.547 -0.297 . . . . 74.450000000000003 111.503 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 88.22 22.96 39.19 Favored Glycine 0 C--N 1.33 0.241 0 N-CA-C 111.259 -0.736 . . . . 54.25 111.259 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 436' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -112.52 125.85 29.32 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.266 -0.467 . . . . 74.049999999999997 110.671 -177.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -81.16 122.59 4.24 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.679 2.253 . . . . 71.530000000000001 112.429 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -118.13 146.79 43.91 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.634 -0.506 . . . . 75.140000000000001 109.634 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -92.6 137.91 31.96 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.221 -0.445 . . . . 73.540000000000006 110.746 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 440' ' ' ILE . . . . . 0.61 HG12 HG21 ' W' ' 447' ' ' THR . 49.2 mt -116.66 138.45 47.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.794 -0.639 . . . . 72.329999999999998 110.257 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 441' ' ' ASP . . . . . 0.482 ' HB3' HG21 ' W' ' 446' ' ' THR . 13.3 t70 -103.9 123.46 47.17 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.946 -0.57 . . . . 75.239999999999995 110.52 177.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -74.67 -17.34 60.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.168 -0.469 . . . . 71.430000000000007 111.89 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -76.89 -58.56 3.21 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.295 0.48 . . . . 75.209999999999994 112.295 -174.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 444' ' ' THR . . . . . 0.471 HG23 ' OD2' ' W' ' 441' ' ' ASP . 14.5 t -106.38 -1.05 23.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.82 0.343 . . . . 72.540000000000006 110.827 -178.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm 63.42 54.96 1.87 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.819 -0.628 . . . . 75.530000000000001 111.3 177.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 446' ' ' THR . . . . . 0.482 HG21 ' HB3' ' W' ' 441' ' ' ASP . 13.7 t -116.92 160.69 20.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.603 -0.726 . . . . 74.299999999999997 109.581 178.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 447' ' ' THR . . . . . 0.61 HG21 HG12 ' W' ' 440' ' ' ILE . 46.7 p -124.96 144.41 50.38 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.802 -0.444 . . . . 74.010000000000005 109.802 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 448' ' ' THR . . . . . 0.619 ' OG1' ' HG2' ' W' ' 450' ' ' GLU . 12.2 t -139.56 150.63 45.29 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.429 0.633 . . . . 74.409999999999997 112.105 -178.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -105.71 -6.12 19.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.978 -1.01 . . . . 74.150000000000006 110.186 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 450' ' ' GLU . . . . . 0.619 ' HG2' ' OG1' ' W' ' 448' ' ' THR . 13.8 pt-20 -98.18 163.0 12.92 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.44 -0.8 . . . . 72.200000000000003 109.762 -176.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -74.51 114.5 34.54 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.28 -0.418 . . . . 64.439999999999998 110.088 -176.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 452' ' ' PRO . . . . . 0.641 ' HG2' ' HD3' ' W' ' 453' ' ' ARG . 96.6 Cg_endo -77.61 -17.44 14.28 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.585 2.19 . . . . 63.539999999999999 112.532 -179.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 453' ' ' ARG . . . . . 0.641 ' HD3' ' HG2' ' W' ' 452' ' ' PRO . 0.0 OUTLIER -76.35 -30.27 57.55 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.592 -0.522 . . . . 75.120000000000005 109.592 179.515 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 80.8 mt -75.75 -24.8 56.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.798 -0.637 . . . . 74.319999999999993 110.202 177.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 455' ' ' LYS . . . . . 0.443 ' HA ' ' HE3' ' W' ' 455' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 115.916 -0.584 . . . . 72.409999999999997 110.12 176.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo . . . . . 0 C--O 1.234 0.323 0 CA-C-O 120.635 0.181 . . . . 73.349999999999994 111.786 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' P' P ' 641' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -63.06 137.03 59.59 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.717 2.278 . . . . 74.420000000000002 112.31 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 642' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.39 153.55 77.6 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.96 2.44 . . . . 73.219999999999999 112.404 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -70.27 149.33 47.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.85 -0.614 . . . . 75.420000000000002 111.462 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -57.23 -40.47 77.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.557 -0.747 . . . . 72.510000000000005 110.494 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -62.94 -29.35 70.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.619 -0.719 . . . . 64.209999999999994 112.844 -177.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 14.0 t -95.65 -18.66 20.35 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.793 -0.363 . . . . 64.209999999999994 111.851 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 647' ' ' LEU . . . . . . . . . . . . . 4.5 pp -91.81 -25.65 18.9 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.634 -0.426 . . . . 75.349999999999994 110.823 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.534 0 C-N-CA 120.833 -0.699 . . . . 73.040000000000006 112.365 178.946 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.441 0.162 . . . . 75.230000000000004 110.902 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' W' W ' 424' ' ' PRO . . . . . 0.668 ' HG2' ' CD1' ' W' ' 427' ' ' TRP . 33.7 Cg_endo -67.97 172.28 11.07 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.872 2.381 . . . . 64.450000000000003 112.428 178.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -49.33 126.51 13.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.414 -0.812 . . . . 75.140000000000001 112.427 -178.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 81.35 4.5 90.43 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.183 -0.917 . . . . 63.119999999999997 114.699 176.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 427' ' ' TRP . . . . . 0.668 ' CD1' ' HG2' ' W' ' 424' ' ' PRO . 63.2 m95 -101.36 124.93 47.83 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 118.296 1.048 . . . . 74.519999999999996 110.759 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -114.0 162.16 16.78 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.771 -0.825 . . . . 63.200000000000003 108.771 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 6.7 p -130.78 131.69 64.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 108.523 -0.917 . . . . 74.409999999999997 108.523 174.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 430' ' ' ARG . . . . . . . . . . . . . 44.4 ttt-85 -126.76 141.27 51.88 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.968 0.414 . . . . 72.340000000000003 110.621 -175.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -82.83 114.0 20.85 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.703 -0.851 . . . . 74.530000000000001 108.703 178.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 432' ' ' ALA . . . . . 0.45 ' HB3' ' CD1' ' W' ' 438' ' ' PHE . . . -74.72 153.0 87.25 Favored Pre-proline 0 C--N 1.326 -0.424 0 C-N-CA 120.719 -0.392 . . . . 72.120000000000005 110.274 -178.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -58.08 -20.55 46.37 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.012 2.474 . . . . 64.549999999999997 112.231 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 434' ' ' ASN . . . . . 0.437 HD21 ' N ' ' W' ' 434' ' ' ASN . 0.9 OUTLIER -78.88 -13.2 59.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 61.240000000000002 110.811 178.644 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 109.03 -25.77 17.54 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.965 -0.636 . . . . 72.340000000000003 112.707 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 436' ' ' ARG . . . . . 0.463 ' HB3' ' CZ3' ' W' ' 449' ' ' TRP . 1.8 mmm-85 -84.38 125.41 71.98 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-O 120.719 0.295 . . . . 73.519999999999996 111.228 -179.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -71.36 135.64 27.15 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.477 2.118 . . . . 71.010000000000005 111.485 174.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 438' ' ' PHE . . . . . 0.45 ' CD1' ' HB3' ' W' ' 432' ' ' ALA . 40.5 p90 -125.05 152.7 43.94 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.625 -0.509 . . . . 72.0 109.625 178.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -94.46 140.43 29.84 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.983 0.421 . . . . 75.25 111.099 -176.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 440' ' ' ILE . . . . . 0.738 HG12 HG21 ' W' ' 447' ' ' THR . 45.4 mt -122.94 115.17 45.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.707 -0.679 . . . . 72.120000000000005 110.011 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 441' ' ' ASP . . . . . 0.525 ' OD2' HG21 ' W' ' 444' ' ' THR . 22.1 t70 -88.77 116.41 27.02 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.054 0.454 . . . . 74.329999999999998 110.798 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -72.7 -14.06 61.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.555 -0.748 . . . . 75.530000000000001 112.19 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -76.38 -57.57 3.79 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.119 -0.232 . . . . 70.230000000000004 111.578 -176.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 444' ' ' THR . . . . . 0.525 HG21 ' OD2' ' W' ' 441' ' ' ASP . 13.9 t -101.51 -2.51 30.49 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 121.192 -0.203 . . . . 71.049999999999997 111.216 -178.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 14.0 mptt 65.67 66.33 0.52 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.118 -0.492 . . . . 75.540000000000006 111.519 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 446' ' ' THR . . . . . 0.4 HG22 ' HB3' ' W' ' 441' ' ' ASP . 14.8 t -136.72 151.65 49.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.846 0.355 . . . . 74.099999999999994 111.08 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 447' ' ' THR . . . . . 0.738 HG21 HG12 ' W' ' 440' ' ' ILE . 23.2 p -117.83 129.33 55.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.894 -0.593 . . . . 54.43 109.493 177.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 14.7 t -140.55 161.32 38.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.132 0.491 . . . . 72.230000000000004 112.2 -176.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 449' ' ' TRP . . . . . 0.594 ' CZ2' ' HD3' ' P' ' 641' ' ' PRO . 97.8 m95 -99.17 -6.67 27.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.624 -0.716 . . . . 74.409999999999997 111.209 -178.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -103.94 129.37 51.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.894 -0.594 . . . . 75.150000000000006 111.385 -174.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -67.15 132.53 93.56 Favored Pre-proline 0 C--O 1.237 0.438 0 CA-C-O 121.191 0.52 . . . . 72.230000000000004 111.769 175.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -96.56 17.25 0.67 Allowed 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 124.093 3.195 . . . . 62.109999999999999 113.348 179.3 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 453' ' ' ARG . . . . . 0.462 ' HE ' ' HA ' ' W' ' 453' ' ' ARG . 2.1 mmp_? -93.37 -39.63 10.83 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.844 0.354 . . . . 74.329999999999998 110.476 178.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 3.4 pp -84.07 -1.97 55.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 71.239999999999995 111.376 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? . . . . . 0 C--N 1.322 -0.605 0 CA-C-N 115.822 -0.626 . . . . 74.450000000000003 109.846 179.198 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo . . . . . 0 C--O 1.235 0.343 0 N-CA-C 111.513 -0.226 . . . . 64.319999999999993 111.513 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' P' P ' 641' ' ' PRO . . . . . 0.594 ' HD3' ' CZ2' ' W' ' 449' ' ' TRP . 57.2 Cg_endo -70.54 145.41 52.59 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.429 2.086 . . . . 71.010000000000005 111.838 -178.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 642' ' ' PRO . . . . . 0.725 ' HG2' HD21 ' P' ' 647' ' ' LEU . 20.8 Cg_endo -62.45 170.11 7.23 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.842 2.361 . . . . 62.009999999999998 112.228 179.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -70.58 151.05 45.44 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.039 -0.528 . . . . 64.010000000000005 111.189 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 644' ' ' TYR . . . . . 0.437 ' HA ' HD12 ' P' ' 647' ' ' LEU . 86.7 t80 -59.78 -24.27 63.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.984 -0.553 . . . . 73.439999999999998 111.095 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -69.17 -18.53 63.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.887 -0.597 . . . . 75.400000000000006 112.185 -177.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 15.1 t -114.64 -0.5 13.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.553 0.692 . . . . 74.140000000000001 110.216 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' P' P ' 647' ' ' LEU . . . . . 0.725 HD21 ' HG2' ' P' ' 642' ' ' PRO . 63.9 mt -85.26 -6.86 59.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.676 -0.693 . . . . 74.329999999999998 111.051 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.877 -0.678 . . . . 62.119999999999997 111.937 179.81 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.568 0.223 . . . . 74.319999999999993 110.816 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' W' W ' 424' ' ' PRO . . . . . 0.512 ' HG2' ' CD1' ' W' ' 427' ' ' TRP . 28.8 Cg_endo -63.16 172.46 5.07 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 123.341 2.694 . . . . 74.099999999999994 113.153 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -43.18 119.8 1.66 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.096 -0.956 . . . . 73.310000000000002 113.033 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 83.75 -5.27 79.43 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 114.695 0.638 . . . . 24.43 114.695 175.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 427' ' ' TRP . . . . . 0.512 ' CD1' ' HG2' ' W' ' 424' ' ' PRO . 88.3 m95 -96.43 135.02 38.87 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 118.108 0.954 . . . . 74.099999999999994 111.057 -178.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -128.01 165.22 20.7 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.933 -1.136 . . . . 74.239999999999995 107.933 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 7.8 p -127.88 134.57 65.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 118.838 0.745 . . . . 73.519999999999996 110.35 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 430' ' ' ARG . . . . . 0.531 ' HB3' ' CE1' ' W' ' 438' ' ' PHE . 15.3 tpt180 -112.25 -154.28 0.54 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.441 -0.8 . . . . 74.349999999999994 110.153 -177.206 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 431' ' ' HIS . . . . . 0.436 ' H ' ' HG3' ' W' ' 430' ' ' ARG . 27.8 t-80 -152.19 115.2 4.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.756 0.313 . . . . 74.519999999999996 110.268 -169.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 432' ' ' ALA . . . . . 0.466 ' HB1' ' HD2' ' W' ' 433' ' ' PRO . . . -84.93 158.34 59.06 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.218 -0.446 . . . . 75.109999999999999 110.217 178.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 433' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' W' ' 432' ' ' ALA . 22.8 Cg_endo -60.76 -15.26 36.57 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.257 2.638 . . . . 71.540000000000006 113.279 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -90.58 1.83 56.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.96 0.41 . . . . 73.439999999999998 110.36 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 83.03 16.91 68.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.004 -0.617 . . . . 73.120000000000005 111.592 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 436' ' ' ARG . . . . . . . . . . . . . 36.6 mmm-85 -101.06 131.35 23.37 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.53 -0.335 . . . . 75.549999999999997 110.572 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -83.71 130.39 5.1 Favored 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 122.332 2.021 . . . . 71.010000000000005 112.123 178.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 438' ' ' PHE . . . . . 0.531 ' CE1' ' HB3' ' W' ' 430' ' ' ARG . 38.3 p90 -120.86 150.94 40.27 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.354 -0.61 . . . . 75.230000000000004 109.354 175.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -98.34 140.39 32.68 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.268 0.556 . . . . 74.430000000000007 111.568 -174.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 440' ' ' ILE . . . . . 0.633 HG12 HG21 ' W' ' 447' ' ' THR . 34.6 mt -119.71 123.09 70.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.595 -0.729 . . . . 74.420000000000002 109.726 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 441' ' ' ASP . . . . . 0.505 ' OD2' HG23 ' W' ' 444' ' ' THR . 15.4 t70 -94.82 121.26 36.24 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.112 0.482 . . . . 73.099999999999994 110.988 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -77.9 -16.3 58.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.78 -0.645 . . . . 74.340000000000003 111.369 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -72.54 -57.5 4.11 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.179 0.437 . . . . 62.009999999999998 112.179 -175.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 444' ' ' THR . . . . . 0.505 HG23 ' OD2' ' W' ' 441' ' ' ASP . 15.0 t -103.9 10.13 36.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.882 0.372 . . . . 74.219999999999999 111.218 -177.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? 60.02 54.95 3.95 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.013 -0.539 . . . . 71.549999999999997 111.106 177.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 7.2 t -135.97 163.95 29.11 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.257 -0.577 . . . . 73.129999999999995 111.395 -178.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 447' ' ' THR . . . . . 0.633 HG21 HG12 ' W' ' 440' ' ' ILE . 7.5 m -128.54 140.8 51.61 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.282 -0.636 . . . . 72.25 109.282 177.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 9.6 t -151.48 166.87 29.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.28 0.562 . . . . 73.040000000000006 111.866 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -99.35 -7.07 26.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.439 -0.801 . . . . 75.510000000000005 109.81 178.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -76.91 149.98 36.01 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.365 -0.834 . . . . 65.430000000000007 111.236 -177.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -98.85 112.41 62.75 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-N 115.265 -0.88 . . . . 74.299999999999997 110.373 -177.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.3 -7.06 19.27 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.826 2.351 . . . . 74.420000000000002 113.598 -177.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 453' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -83.26 -43.06 16.48 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.081 -0.387 . . . . 73.439999999999998 111.955 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 2.7 pp -89.81 -10.05 46.91 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.447 0.536 . . . . 75.040000000000006 112.447 -175.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt . . . . . 0 C--N 1.325 -0.465 0 N-CA-C 110.124 -0.324 . . . . 70.219999999999999 110.124 178.639 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo . . . . . 0 C--O 1.237 0.437 0 CA-C-O 120.886 0.286 . . . . 70.519999999999996 112.216 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' P' P ' 641' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.23 153.01 40.42 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.796 2.331 . . . . 74.329999999999998 112.678 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 642' ' ' PRO . . . . . 0.575 ' HG2' ' HB3' ' P' ' 647' ' ' LEU . 59.4 Cg_endo -72.26 171.36 17.06 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.771 2.314 . . . . 72.200000000000003 112.205 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 643' ' ' ALA . . . . . 0.468 ' HB3' ' OG1' ' P' ' 646' ' ' THR . . . -68.81 156.6 38.09 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.209 -0.451 . . . . 73.549999999999997 110.484 178.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -58.63 -47.75 83.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.201 -0.454 . . . . 74.510000000000005 111.687 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -72.15 -19.52 61.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.278 0.561 . . . . 73.340000000000003 110.368 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' P' P ' 646' ' ' THR . . . . . 0.468 ' OG1' ' HB3' ' P' ' 643' ' ' ALA . 86.0 m -81.24 -40.41 23.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.364 -0.834 . . . . 71.439999999999998 111.185 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 647' ' ' LEU . . . . . 0.575 ' HB3' ' HG2' ' P' ' 642' ' ' PRO . 4.5 pp -80.38 -20.99 42.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.282 -0.417 . . . . 74.109999999999999 111.167 -178.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.768 -0.73 . . . . 62.229999999999997 112.359 179.663 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' W' W ' 423' ' ' LEU . . . . . 0.516 HD13 ' HD3' ' W' ' 453' ' ' ARG . 2.9 mm? . . . . . 0 N--CA 1.454 -0.231 0 N-CA-C 110.225 -0.287 . . . . 73.25 110.225 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 424' ' ' PRO . . . . . 0.459 ' HB2' ' CD1' ' W' ' 427' ' ' TRP . 35.8 Cg_exo -57.95 156.07 30.42 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.585 2.19 . . . . 74.409999999999997 111.008 177.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -76.35 108.52 9.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.248 0.546 . . . . 74.299999999999997 110.54 -176.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 130.1 -20.27 5.07 Favored Glycine 0 N--CA 1.444 -0.8 0 N-CA-C 111.005 -0.838 . . . . 72.140000000000001 111.005 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 427' ' ' TRP . . . . . 0.459 ' CD1' ' HB2' ' W' ' 424' ' ' PRO . 70.8 m95 -100.63 118.94 37.79 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.931 -0.396 . . . . 75.129999999999995 109.931 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -119.4 149.69 41.42 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.18 -0.674 . . . . 74.319999999999993 109.18 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 14.0 p -103.94 135.79 40.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-O 121.738 0.78 . . . . 72.209999999999994 111.889 -177.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 430' ' ' ARG . . . . . 0.533 ' HE ' ' HA ' ' W' ' 430' ' ' ARG . 0.6 OUTLIER -117.27 -156.13 0.62 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.856 -1.065 . . . . 74.129999999999995 110.427 -178.618 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -152.53 108.01 3.29 Favored 'General case' 0 CA--C 1.52 -0.183 0 O-C-N 122.1 -0.375 . . . . 72.25 110.592 -170.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -77.49 152.19 80.93 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 110.003 -0.369 . . . . 74.129999999999995 110.003 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.75 -25.29 41.83 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.966 2.444 . . . . 73.109999999999999 112.858 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -72.52 -4.49 30.87 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.391 -0.368 . . . . 74.430000000000007 111.698 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 84.49 23.0 52.47 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.784 -0.722 . . . . 75.239999999999995 111.583 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 436' ' ' ARG . . . . . 0.542 ' HD3' ' HD2' ' W' ' 437' ' ' PRO . 0.4 OUTLIER -117.79 122.31 30.8 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.466 -0.568 . . . . 75.230000000000004 109.466 -178.099 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' W' W ' 437' ' ' PRO . . . . . 0.542 ' HD2' ' HD3' ' W' ' 436' ' ' ARG . 3.7 Cg_exo -75.48 142.12 26.07 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.86 2.374 . . . . 65.540000000000006 111.978 178.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 438' ' ' PHE . . . . . 0.554 ' CE1' HD12 ' W' ' 440' ' ' ILE . 51.7 p90 -133.1 155.8 48.58 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.956 -0.387 . . . . 72.5 109.956 176.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -99.71 143.56 29.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.254 0.55 . . . . 75.450000000000003 111.273 -177.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 440' ' ' ILE . . . . . 0.575 HG13 HG23 ' W' ' 447' ' ' THR . 3.6 mp -120.04 127.53 75.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.387 -0.824 . . . . 73.129999999999995 110.423 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 441' ' ' ASP . . . . . 0.484 ' OD2' HG22 ' W' ' 444' ' ' THR . 19.9 t70 -91.53 112.33 24.2 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.193 -0.912 . . . . 73.230000000000004 109.565 177.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -79.85 -6.3 57.12 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.84 -0.618 . . . . 74.340000000000003 111.194 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -76.24 -57.13 4.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 74.109999999999999 111.304 -177.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 444' ' ' THR . . . . . 0.484 HG22 ' OD2' ' W' ' 441' ' ' ASP . 14.0 t -109.29 5.35 23.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.572 0.225 . . . . 75.040000000000006 111.415 -179.141 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp 66.62 66.47 0.45 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.085 -0.507 . . . . 74.450000000000003 111.948 176.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 15.2 t -141.95 154.92 45.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.86 0.362 . . . . 74.439999999999998 111.285 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 447' ' ' THR . . . . . 0.575 HG23 HG13 ' W' ' 440' ' ' ILE . 68.4 p -112.16 141.27 46.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.006 -0.543 . . . . 73.109999999999999 109.881 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 14.8 t -148.93 163.8 36.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.165 0.507 . . . . 73.150000000000006 111.588 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 449' ' ' TRP . . . . . 0.742 ' HZ2' ' HD3' ' P' ' 641' ' ' PRO . 82.9 m95 -105.33 -4.93 20.96 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.638 -0.71 . . . . 74.140000000000001 110.798 -178.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -86.53 155.08 20.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.806 -0.634 . . . . 73.019999999999996 110.786 -175.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 451' ' ' ASP . . . . . 0.506 ' HB3' ' HG ' ' W' ' 454' ' ' LEU . 11.1 t0 -98.19 116.45 65.57 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 109.204 -0.665 . . . . 74.340000000000003 109.204 -179.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.27 -14.19 37.21 Favored 'Trans proline' 0 CA--C 1.53 0.302 0 C-N-CA 122.61 2.206 . . . . 74.549999999999997 114.14 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 453' ' ' ARG . . . . . 0.516 ' HD3' HD13 ' W' ' 423' ' ' LEU . 82.8 mtm180 -80.86 -38.95 27.26 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.145 0.424 . . . . 71.439999999999998 112.145 -178.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 454' ' ' LEU . . . . . 0.506 ' HG ' ' HB3' ' W' ' 451' ' ' ASP . 3.7 pp -79.07 -3.71 46.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.222 0.534 . . . . 75.420000000000002 111.165 -178.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt . . . . . 0 C--N 1.324 -0.539 0 N-CA-C 108.862 -0.792 . . . . 75.540000000000006 108.862 175.937 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo . . . . . 0 CA--C 1.531 0.364 0 N-CA-C 111.725 -0.144 . . . . 74.010000000000005 111.725 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' P' P ' 641' ' ' PRO . . . . . 0.742 ' HD3' ' HZ2' ' W' ' 449' ' ' TRP . 36.5 Cg_endo -64.98 130.76 26.73 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.204 1.936 . . . . 74.450000000000003 111.741 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 642' ' ' PRO . . . . . 0.415 ' HD2' ' HZ ' ' W' ' 438' ' ' PHE . 23.9 Cg_exo -63.93 169.68 10.0 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 123.36 2.707 . . . . 61.310000000000002 113.425 -178.204 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -74.05 157.1 36.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.611 -0.722 . . . . 73.299999999999997 110.769 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -55.78 -42.66 75.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.923 -0.581 . . . . 75.219999999999999 112.112 -176.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -67.37 -24.1 65.66 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.929 0.714 . . . . 73.010000000000005 112.929 -176.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 13.1 t -102.93 -17.06 15.66 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.393 -0.523 . . . . 73.409999999999997 112.216 -177.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 647' ' ' LEU . . . . . . . . . . . . . 3.9 pp -90.65 -5.21 56.11 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 121.929 -0.482 . . . . 64.099999999999994 111.358 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.295 0 C-N-CA 120.841 -0.695 . . . . 72.430000000000007 112.545 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' W' W ' 423' ' ' LEU . . . . . 0.512 ' HB3' ' HB2' ' W' ' 427' ' ' TRP . 2.8 mm? . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.393 0.14 . . . . 72.430000000000007 111.157 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.96 164.91 11.19 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.867 2.378 . . . . 74.140000000000001 111.864 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -58.27 106.98 0.43 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.736 0.779 . . . . 74.209999999999994 112.185 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 111.68 -3.7 27.64 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.489 -0.778 . . . . 75.209999999999994 111.709 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 427' ' ' TRP . . . . . 0.512 ' HB2' ' HB3' ' W' ' 423' ' ' LEU . 46.0 m95 -101.78 123.5 45.84 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.838 -0.43 . . . . 75.510000000000005 109.838 178.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -114.49 155.49 26.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.373 -0.376 . . . . 74.319999999999993 109.99 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 5.8 p -107.19 133.46 51.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.563 0.697 . . . . 74.530000000000001 110.618 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 430' ' ' ARG . . . . . 0.419 ' HD2' ' HA ' ' W' ' 430' ' ' ARG . 0.9 OUTLIER -114.29 -155.06 0.56 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.378 -0.828 . . . . 74.319999999999993 111.508 -176.614 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -152.68 108.42 3.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.952 -0.567 . . . . 73.340000000000003 109.857 -172.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -87.51 150.31 48.48 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.23 -0.441 . . . . 70.230000000000004 110.393 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.67 -31.62 51.07 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.3 2.667 . . . . 70.340000000000003 113.488 -178.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -68.38 -14.44 63.0 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 111.882 0.327 . . . . 70.299999999999997 111.882 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 99.49 22.97 11.58 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.61 -0.805 . . . . 61.420000000000002 112.469 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 436' ' ' ARG . . . . . 0.432 ' HA ' ' HD3' ' W' ' 437' ' ' PRO . 26.8 mmm180 -114.82 133.29 22.62 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 120.563 0.22 . . . . 75.400000000000006 110.484 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 437' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' W' ' 436' ' ' ARG . 5.2 Cg_endo -84.97 98.88 0.69 Allowed 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.762 2.308 . . . . 72.239999999999995 111.985 178.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -88.84 143.18 27.06 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.045 -0.354 . . . . 74.540000000000006 110.045 179.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -90.39 152.05 21.16 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.155 -0.475 . . . . 74.319999999999993 110.95 -178.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 440' ' ' ILE . . . . . 0.769 HG12 HG22 ' W' ' 447' ' ' THR . 47.1 mt -127.08 124.04 63.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.752 -0.658 . . . . 72.140000000000001 110.769 -178.074 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 441' ' ' ASP . . . . . 0.446 ' OD2' HG21 ' W' ' 444' ' ' THR . 8.7 t70 -90.91 116.59 28.85 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.018 -0.537 . . . . 74.549999999999997 109.988 178.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -76.06 -13.12 60.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.403 -0.362 . . . . 74.310000000000002 111.923 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -69.59 -56.53 7.06 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.758 0.281 . . . . 75.310000000000002 111.758 -177.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 444' ' ' THR . . . . . 0.446 HG21 ' OD2' ' W' ' 441' ' ' ASP . 14.2 t -111.51 6.69 20.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.954 0.407 . . . . 72.420000000000002 110.735 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 445' ' ' LYS . . . . . 0.451 ' HE2' ' HB2' ' W' ' 445' ' ' LYS . 3.7 mppt? 57.43 64.66 1.53 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.463 -0.789 . . . . 74.299999999999997 111.309 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 446' ' ' THR . . . . . 0.441 HG22 ' HB3' ' W' ' 441' ' ' ASP . 14.6 t -129.88 150.22 51.26 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.938 -0.573 . . . . 74.400000000000006 109.93 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 447' ' ' THR . . . . . 0.769 HG22 HG12 ' W' ' 440' ' ' ILE . 8.1 p -110.45 140.72 44.43 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.555 -0.293 . . . . 75.430000000000007 110.315 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 11.3 t -136.8 142.73 42.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.412 0.625 . . . . 63.310000000000002 111.626 -178.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -96.98 -7.4 33.16 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.494 -0.775 . . . . 74.530000000000001 109.254 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -90.46 154.47 19.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.237 -1.347 . . . . 73.030000000000001 109.67 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -91.86 124.62 59.81 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.351 . . . . 71.040000000000006 111.154 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -84.04 -7.6 10.17 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.784 2.323 . . . . 64.140000000000001 113.502 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 453' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -77.74 -48.73 15.93 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.604 0.594 . . . . 72.230000000000004 112.604 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 4.5 pp -77.99 -14.9 59.36 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.06 0.393 . . . . 61.549999999999997 112.06 -176.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt . . . . . 0 C--N 1.324 -0.535 0 N-CA-C 109.465 -0.569 . . . . 75.349999999999994 109.465 177.485 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo . . . . . 0 N--CA 1.461 -0.385 0 CA-C-O 121.058 0.357 . . . . 74.25 111.884 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' P' P ' 641' ' ' PRO . . . . . 0.458 ' HA ' ' HD3' ' P' ' 642' ' ' PRO . 72.7 Cg_endo -87.07 152.46 8.28 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 122.847 2.364 . . . . 75.230000000000004 112.329 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 642' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' P' ' 641' ' ' PRO . 12.6 Cg_exo -71.33 167.54 25.97 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.187 2.591 . . . . 73.510000000000005 112.401 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -76.2 171.56 14.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 64.340000000000003 111.41 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -63.49 -47.36 82.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.689 -0.687 . . . . 74.129999999999995 111.675 -176.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -71.84 -17.05 62.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.381 0.61 . . . . 70.049999999999997 110.323 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 42.1 m -78.38 -33.26 48.98 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.299 -0.864 . . . . 74.010000000000005 110.345 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 647' ' ' LEU . . . . . . . . . . . . . 4.3 pp -97.62 -17.55 19.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.942 -0.572 . . . . 74.530000000000001 111.627 -177.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.756 -0.735 . . . . 70.5 112.582 179.34 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--O 1.234 0.269 0 CA-C-O 120.73 0.3 . . . . 74.239999999999995 111.241 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -63.39 155.74 60.39 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.425 2.083 . . . . 75.319999999999993 110.633 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -66.94 107.91 2.4 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.011 0.434 . . . . 72.430000000000007 110.782 -175.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 126.9 -10.44 7.05 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.838 -0.696 . . . . 72.409999999999997 111.939 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 427' ' ' TRP . . . . . . . . . . . . . 48.3 m95 -85.85 170.82 12.03 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.116 0.484 . . . . 74.129999999999995 111.567 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 428' ' ' GLU . . . . . 0.659 ' HB3' ' HB ' ' W' ' 440' ' ' ILE . 11.0 tp10 -148.52 140.37 23.79 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.343 -0.984 . . . . 74.25 108.343 -175.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 64.6 t -103.19 135.55 40.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.129 -0.693 . . . . 75.439999999999998 109.129 177.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 430' ' ' ARG . . . . . 0.462 ' NE ' ' HA ' ' W' ' 430' ' ' ARG . 0.2 OUTLIER -127.93 -161.33 1.08 Allowed 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.837 -0.345 . . . . 74.430000000000007 110.379 -179.056 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' W' W ' 431' ' ' HIS . . . . . 0.435 ' HA ' ' HA ' ' W' ' 437' ' ' PRO . 42.7 m80 -155.97 131.52 9.61 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.171 -0.307 . . . . 75.299999999999997 110.171 -170.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -94.95 150.07 37.22 Favored Pre-proline 0 C--N 1.318 -0.79 0 N-CA-C 108.705 -0.85 . . . . 71.150000000000006 108.705 174.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -57.47 -16.43 23.48 Favored 'Trans proline' 0 N--CA 1.473 0.323 0 C-N-CA 122.96 2.44 . . . . 75.239999999999995 112.774 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -82.18 -9.16 59.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 73.109999999999999 111.181 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 105.57 -16.74 44.0 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.813 -0.708 . . . . 65.109999999999999 112.862 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 436' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -82.88 122.88 78.28 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-O 120.843 0.354 . . . . 74.450000000000003 111.292 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 437' ' ' PRO . . . . . 0.435 ' HA ' ' HA ' ' W' ' 431' ' ' HIS . 3.6 Cg_exo -81.12 141.05 12.77 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 123.255 2.637 . . . . 71.209999999999994 112.027 178.244 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -124.82 162.05 25.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.887 -0.412 . . . . 72.319999999999993 109.887 177.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -105.39 146.94 28.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.18 -0.463 . . . . 74.310000000000002 111.335 -175.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 440' ' ' ILE . . . . . 0.875 HG12 HG22 ' W' ' 447' ' ' THR . 49.1 mt -127.21 146.87 32.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.401 -0.818 . . . . 73.430000000000007 109.949 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 441' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -114.88 124.24 51.22 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.211 -0.292 . . . . 72.409999999999997 110.211 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 442' ' ' HIS . . . . . 0.537 ' NE2' ' HB2' ' W' ' 428' ' ' GLU . 57.4 m170 -72.8 -21.89 60.91 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.288 0.477 . . . . 75.219999999999999 112.288 -178.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -72.02 -58.11 3.72 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.244 0.461 . . . . 70.049999999999997 112.244 -173.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 444' ' ' THR . . . . . . . . . . . . . 14.9 t -101.57 -4.67 26.25 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 121.126 -0.23 . . . . 72.129999999999995 111.186 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm 65.29 64.63 0.6 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.967 -0.56 . . . . 73.340000000000003 111.172 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 15.1 t -132.47 156.96 45.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.259 -0.428 . . . . 64.109999999999999 110.913 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 447' ' ' THR . . . . . 0.875 HG22 HG12 ' W' ' 440' ' ' ILE . 32.1 p -120.92 145.28 47.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.999 -0.546 . . . . 63.530000000000001 109.781 178.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 9.9 t -146.94 154.16 40.95 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.238 0.542 . . . . 73.109999999999999 111.949 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -99.57 -7.98 25.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.293 -0.867 . . . . 75.519999999999996 109.44 176.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -86.2 146.88 26.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.381 -0.827 . . . . 72.450000000000003 109.365 -177.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -85.55 118.66 71.1 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.503 -0.317 . . . . 71.430000000000007 110.376 -175.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.93 -12.3 26.03 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.795 2.33 . . . . 73.329999999999998 113.418 -177.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 453' ' ' ARG . . . . . 0.496 ' HA ' ' NE ' ' W' ' 453' ' ' ARG . 4.7 mmp_? -92.33 -36.03 13.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.998 -0.439 . . . . 75.140000000000001 111.728 177.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 91.0 mt -79.4 -29.27 41.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.442 0.639 . . . . 71.319999999999993 109.861 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm . . . . . 0 C--N 1.322 -0.591 0 CA-C-N 115.193 -0.912 . . . . 74.109999999999999 108.79 177.615 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo . . . . . 0 C--O 1.234 0.289 0 CA-C-O 120.723 0.218 . . . . 74.310000000000002 112.343 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' P' P ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -72.66 127.52 12.48 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.285 1.99 . . . . 74.420000000000002 112.277 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 642' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -61.89 153.42 68.42 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.692 2.261 . . . . 72.510000000000005 111.997 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 643' ' ' ALA . . . . . 0.546 ' O ' HG23 ' P' ' 646' ' ' THR . . . -64.98 143.23 58.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.173 -0.467 . . . . 64.019999999999996 111.208 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -63.2 -29.67 70.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.251 -0.432 . . . . 73.340000000000003 110.646 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -71.79 -12.78 61.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.959 -0.564 . . . . 70.230000000000004 112.477 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' P' P ' 646' ' ' THR . . . . . 0.546 HG23 ' O ' ' P' ' 643' ' ' ALA . 14.4 t -108.77 -12.85 14.87 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.479 -0.488 . . . . 75.319999999999993 111.18 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 647' ' ' LEU . . . . . 0.439 HD23 ' HG2' ' W' ' 430' ' ' ARG . 4.5 pp -104.49 -17.94 14.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.992 0.425 . . . . 71.340000000000003 110.894 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.422 0 C-N-CA 121.039 -0.601 . . . . 71.049999999999997 111.961 179.283 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' W' W ' 423' ' ' LEU . . . . . 0.554 ' HB3' ' HB2' ' W' ' 427' ' ' TRP . 3.1 mm? . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.708 0.289 . . . . 64.420000000000002 111.428 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -64.6 173.24 5.71 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.943 2.428 . . . . 72.319999999999993 111.291 176.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -71.61 109.85 5.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.326 0.584 . . . . 74.329999999999998 110.291 -176.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 122.63 -30.79 5.02 Favored Glycine 0 N--CA 1.441 -0.993 0 CA-C-N 115.559 -0.746 . . . . 73.450000000000003 111.238 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 427' ' ' TRP . . . . . 0.554 ' HB2' ' HB3' ' W' ' 423' ' ' LEU . 70.7 m95 -81.82 170.76 15.31 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.58 0.228 . . . . 55.329999999999998 110.606 179.132 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 428' ' ' GLU . . . . . 0.543 ' HB3' ' HB ' ' W' ' 440' ' ' ILE . 12.2 tp10 -155.41 164.57 38.55 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.209 -1.034 . . . . 74.140000000000001 108.209 -175.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 429' ' ' VAL . . . . . 0.436 ' HB ' HD23 ' W' ' 423' ' ' LEU . 13.6 p -125.98 138.92 53.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 118.378 0.535 . . . . 73.219999999999999 110.805 175.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 430' ' ' ARG . . . . . 0.471 ' HG3' ' H ' ' W' ' 431' ' ' HIS . 12.4 tpt180 -120.83 -159.68 0.81 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.703 -0.851 . . . . 75.540000000000006 108.703 -179.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 431' ' ' HIS . . . . . 0.471 ' H ' ' HG3' ' W' ' 430' ' ' ARG . 29.9 m80 -154.16 115.14 4.04 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.563 -0.532 . . . . 73.239999999999995 109.563 -173.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -79.58 149.13 71.04 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 109.909 -0.404 . . . . 74.209999999999994 109.909 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.53 -28.6 46.03 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.17 2.58 . . . . 74.109999999999999 112.763 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -70.35 -8.35 49.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.965 -0.561 . . . . 65.129999999999995 111.812 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 92.37 24.81 23.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.166 -1.016 . . . . 70.310000000000002 111.292 -178.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 436' ' ' ARG . . . . . . . . . . . . . 22.0 tpt180 -117.53 114.68 37.97 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.527 -0.337 . . . . 62.509999999999998 110.222 -176.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.14 112.66 3.58 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.296 1.997 . . . . 73.510000000000005 112.532 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -106.21 147.6 28.89 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.112 -0.699 . . . . 74.349999999999994 109.112 176.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 439' ' ' PHE . . . . . 0.489 ' HB2' HG23 ' W' ' 448' ' ' THR . 45.2 m-85 -89.56 158.81 17.5 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.445 0.64 . . . . 72.409999999999997 111.653 -176.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 440' ' ' ILE . . . . . 0.792 HG12 HG22 ' W' ' 447' ' ' THR . 35.5 mt -129.58 152.54 37.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.191 -0.913 . . . . 74.439999999999998 108.801 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 441' ' ' ASP . . . . . 0.604 ' OD2' HG21 ' W' ' 444' ' ' THR . 25.4 t70 -117.15 126.38 52.71 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 121.083 -0.247 . . . . 73.219999999999999 110.564 176.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -78.59 -22.99 46.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.795 -0.184 . . . . 72.430000000000007 111.007 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -66.8 -57.89 6.16 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.674 0.273 . . . . 74.120000000000005 111.017 -175.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 444' ' ' THR . . . . . 0.714 HG23 HG23 ' W' ' 446' ' ' THR . 9.0 t -95.48 -6.11 41.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.003 0.43 . . . . 75.209999999999994 110.136 178.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm 66.1 29.83 9.74 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.233 0.827 . . . . 73.209999999999994 113.233 174.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 446' ' ' THR . . . . . 0.714 HG23 HG23 ' W' ' 444' ' ' THR . 11.8 t -115.62 -178.86 3.49 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.674 -0.491 . . . . 71.239999999999995 109.674 177.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 447' ' ' THR . . . . . 0.792 HG22 HG12 ' W' ' 440' ' ' ILE . 3.0 p -109.32 153.68 23.57 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.931 -0.396 . . . . 62.299999999999997 109.931 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 448' ' ' THR . . . . . 0.495 HG22 ' HZ3' ' W' ' 427' ' ' TRP . 8.4 t -133.71 134.34 42.92 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.986 0.422 . . . . 74.340000000000003 111.135 -176.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 49.9 m95 -94.09 -15.89 24.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.323 -0.399 . . . . 72.439999999999998 110.621 178.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -88.95 154.22 20.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.329 0.585 . . . . 74.340000000000003 110.339 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -86.33 120.89 72.51 Favored Pre-proline 0 C--N 1.316 -0.861 0 CA-C-N 115.219 -0.901 . . . . 74.439999999999998 112.55 -173.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 452' ' ' PRO . . . . . 0.463 ' HG2' HD11 ' W' ' 423' ' ' LEU . 97.3 Cg_endo -93.55 21.34 0.63 Allowed 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.711 2.941 . . . . 75.420000000000002 112.5 177.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 453' ' ' ARG . . . . . 0.77 ' HA ' ' NE ' ' W' ' 453' ' ' ARG . 2.5 mmp_? -101.01 -47.72 4.67 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.255 -0.884 . . . . 74.230000000000004 110.815 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 85.4 mt -85.77 5.55 31.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.104 -0.953 . . . . 75.319999999999993 110.49 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt . . . . . 0 C--N 1.325 -0.461 0 N-CA-C 109.202 -0.666 . . . . 75.430000000000007 109.202 179.204 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo . . . . . 0 N--CA 1.461 -0.434 0 CA-C-O 120.768 0.237 . . . . 73.409999999999997 111.522 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' P' P ' 641' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -76.33 138.72 20.23 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 122.345 2.03 . . . . 72.340000000000003 111.715 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 642' ' ' PRO . . . . . 0.44 ' HB2' HD22 ' P' ' 647' ' ' LEU . 34.6 Cg_exo -61.31 154.53 57.74 Favored 'Trans proline' 0 CA--C 1.527 0.149 0 C-N-CA 122.807 2.338 . . . . 74.239999999999995 112.224 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 643' ' ' ALA . . . . . 0.471 ' O ' ' HG ' ' P' ' 647' ' ' LEU . . . -80.9 164.16 22.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.465 -0.334 . . . . 53.100000000000001 110.463 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -65.26 -15.61 62.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 74.510000000000005 111.376 -177.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -71.75 -34.34 69.41 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.468 -0.333 . . . . 73.140000000000001 111.665 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 14.5 t -94.73 -26.68 16.18 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.882 -0.327 . . . . 73.209999999999994 111.665 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' P' P ' 647' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' P' ' 643' ' ' ALA . 4.2 pp -101.4 7.06 42.79 Favored 'General case' 0 C--N 1.332 -0.175 0 O-C-N 122.025 -0.422 . . . . 74.340000000000003 111.399 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.409 0 C-N-CA 120.648 -0.787 . . . . 63.420000000000002 112.496 -179.64 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.108 -0.331 . . . . 75.439999999999998 110.108 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' W' W ' 424' ' ' PRO . . . . . 0.478 ' HG2' ' CD1' ' W' ' 427' ' ' TRP . 12.6 Cg_endo -58.0 161.69 12.74 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.601 2.201 . . . . 75.319999999999993 111.049 176.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -77.17 117.23 18.5 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.302 -0.559 . . . . 74.040000000000006 110.115 -175.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 124.62 -27.89 5.36 Favored Glycine 0 N--CA 1.442 -0.921 0 CA-C-N 115.276 -0.874 . . . . 74.239999999999995 110.953 -177.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 427' ' ' TRP . . . . . 0.514 ' HA ' ' O ' ' W' ' 440' ' ' ILE . 65.1 m95 -97.0 116.59 29.48 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.788 -0.449 . . . . 71.349999999999994 109.788 178.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -114.47 153.95 29.04 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.853 -0.339 . . . . 75.329999999999998 110.354 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 57.7 t -93.52 125.09 46.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.187 -0.461 . . . . 74.340000000000003 110.722 -178.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 430' ' ' ARG . . . . . 0.462 ' HD2' ' HA ' ' W' ' 430' ' ' ARG . 11.5 tpt180 -109.42 -158.21 0.64 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.508 -0.315 . . . . 75.230000000000004 110.246 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 431' ' ' HIS . . . . . 0.437 ' H ' ' HG3' ' W' ' 430' ' ' ARG . 3.5 m80 -153.07 121.08 6.13 Favored 'General case' 0 C--N 1.331 -0.216 0 O-C-N 122.197 -0.314 . . . . 74.129999999999995 111.327 -171.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -97.5 159.08 31.97 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 109.292 -0.633 . . . . 63.020000000000003 109.292 175.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.86 -26.65 49.36 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.751 2.301 . . . . 74.340000000000003 113.003 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -75.22 -8.82 57.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.365 -0.38 . . . . 72.319999999999993 111.494 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 90.22 9.21 65.61 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 110.681 -0.968 . . . . 62.450000000000003 110.681 -176.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 436' ' ' ARG . . . . . 0.462 ' HA ' ' HD3' ' W' ' 437' ' ' PRO . 15.7 mmm180 -90.0 119.03 69.36 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 114.846 -0.677 . . . . 72.209999999999994 110.798 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 437' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' W' ' 436' ' ' ARG . 3.3 Cg_exo -81.49 116.63 2.97 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 122.981 2.454 . . . . 64.120000000000005 112.165 178.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 438' ' ' PHE . . . . . 0.462 ' HB3' ' CZ3' ' W' ' 449' ' ' TRP . 53.6 p90 -99.64 158.15 15.97 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.502 -0.479 . . . . 71.430000000000007 109.882 176.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -98.05 132.85 43.24 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.554 0.692 . . . . 73.209999999999994 111.64 -175.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 440' ' ' ILE . . . . . 0.514 ' O ' ' HA ' ' W' ' 427' ' ' TRP . 55.9 mt -105.84 121.92 58.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 114.86 -1.064 . . . . 75.310000000000002 109.987 178.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 441' ' ' ASP . . . . . 0.492 ' OD2' HG23 ' W' ' 444' ' ' THR . 11.9 t70 -97.53 117.74 32.48 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.975 0.417 . . . . 74.349999999999994 110.896 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -79.78 -23.05 42.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.084 -0.507 . . . . 73.010000000000005 111.381 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -58.31 -57.26 13.67 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.298 -0.41 . . . . 75.219999999999999 111.564 -175.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 444' ' ' THR . . . . . 0.492 HG23 ' OD2' ' W' ' 441' ' ' ASP . 9.0 t -106.97 -1.57 22.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.066 0.46 . . . . 63.520000000000003 110.07 178.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 27.2 mtmm 64.04 65.94 0.67 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.549 -0.75 . . . . 72.150000000000006 111.576 178.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 6.2 t -141.96 168.57 19.44 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.982 -1.008 . . . . 64.450000000000003 109.708 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 447' ' ' THR . . . . . 0.513 HG22 HG12 ' W' ' 440' ' ' ILE . 6.7 p -123.85 138.39 54.5 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.393 -0.225 . . . . 73.5 110.393 178.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 13.4 t -143.47 164.43 30.36 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.402 -0.519 . . . . 74.510000000000005 111.924 -177.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 449' ' ' TRP . . . . . 0.462 ' CZ3' ' HB3' ' W' ' 438' ' ' PHE . 95.9 m95 -102.87 -9.25 20.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.575 -0.739 . . . . 71.120000000000005 111.26 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -82.65 147.06 28.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.915 0.388 . . . . 71.340000000000003 110.411 -178.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 451' ' ' ASP . . . . . 0.547 ' O ' ' HG2' ' W' ' 455' ' ' LYS . 5.6 t70 -90.8 119.95 68.87 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.685 -0.689 . . . . 72.140000000000001 112.196 -176.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -84.22 28.13 0.58 Allowed 'Trans proline' 0 CA--C 1.532 0.402 0 C-N-CA 122.996 2.464 . . . . 72.310000000000002 112.122 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 453' ' ' ARG . . . . . 0.754 ' HA ' ' NE ' ' W' ' 453' ' ' ARG . 4.1 mmp_? -105.4 -54.18 2.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.56 -0.746 . . . . 75.420000000000002 110.88 -179.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 454' ' ' LEU . . . . . 0.478 ' HG ' ' OD2' ' W' ' 451' ' ' ASP . 3.9 pp -93.12 -24.86 18.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.566 -0.743 . . . . 75.530000000000001 112.098 -178.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 455' ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' W' ' 451' ' ' ASP . 19.9 ptmt . . . . . 0 C--N 1.324 -0.525 0 C-N-CA 120.606 -0.438 . . . . 74.239999999999995 110.186 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo . . . . . 0 CA--C 1.53 0.309 0 CA-C-O 120.872 0.28 . . . . 74.530000000000001 112.21 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' P' P ' 641' ' ' PRO . . . . . 0.463 ' HA ' ' HD3' ' P' ' 642' ' ' PRO . 76.6 Cg_endo -78.7 147.66 22.13 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.92 2.413 . . . . 72.439999999999998 112.627 -178.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 642' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' P' ' 641' ' ' PRO . 21.3 Cg_exo -65.29 163.67 28.47 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.948 2.432 . . . . 75.439999999999998 112.417 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -66.56 150.15 49.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.846 -0.616 . . . . 75.319999999999993 111.198 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -56.47 -36.91 69.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.744 -0.662 . . . . 75.219999999999999 111.372 -178.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -76.77 -12.87 60.04 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.727 0.639 . . . . 72.25 112.727 -177.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 4.8 t -117.72 -14.24 10.17 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.123 -0.631 . . . . 73.530000000000001 112.417 -176.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 647' ' ' LEU . . . . . . . . . . . . . 3.9 pp -79.15 -15.04 58.7 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.878 0.371 . . . . 74.230000000000004 111.054 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.524 0 CA-C-N 115.909 -0.587 . . . . 73.329999999999998 111.674 -179.616 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' W' W ' 423' ' ' LEU . . . . . 0.703 ' HB3' ' HB2' ' W' ' 427' ' ' TRP . 3.3 mm? . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 110.354 -0.239 . . . . 74.120000000000005 110.354 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -60.13 159.88 24.61 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.471 2.114 . . . . 74.129999999999995 111.133 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 3.1 tpmt? -53.34 104.2 0.09 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.393 0.616 . . . . 72.200000000000003 112.374 -177.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 116.5 -3.88 19.85 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.325 -0.852 . . . . 74.219999999999999 112.214 173.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 427' ' ' TRP . . . . . 0.703 ' HB2' ' HB3' ' W' ' 423' ' ' LEU . 46.7 m95 -94.65 152.64 18.33 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.635 -0.506 . . . . 63.25 109.635 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -145.33 158.81 43.75 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.566 -0.902 . . . . 73.349999999999994 108.566 -177.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 9.0 p -121.57 131.01 74.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 118.663 0.665 . . . . 75.400000000000006 109.986 178.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 430' ' ' ARG . . . . . 0.462 ' HD2' HD11 ' W' ' 440' ' ' ILE . 12.9 ttt-85 -113.83 -154.05 0.54 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.253 0.549 . . . . 75.219999999999999 112.115 -175.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -151.34 112.56 4.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.316 -0.856 . . . . 75.120000000000005 109.404 -170.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -85.49 153.84 58.97 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.994 -0.373 . . . . 74.200000000000003 109.994 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -57.86 -21.42 48.79 Favored 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 122.875 2.383 . . . . 65.439999999999998 112.727 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -79.42 -8.01 58.81 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.303 -0.408 . . . . 74.209999999999994 111.078 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 90.49 22.99 32.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.055 -0.593 . . . . 72.519999999999996 111.85 -178.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 436' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' W' ' 436' ' ' ARG . 10.1 mmm180 -109.86 136.86 20.34 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 120.686 0.279 . . . . 72.129999999999995 110.759 -179.124 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 437' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' W' ' 436' ' ' ARG . 37.7 Cg_endo -86.97 125.67 2.32 Favored 'Trans proline' 0 N--CA 1.448 -1.163 0 C-N-CA 122.636 2.224 . . . . 70.349999999999994 111.749 176.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -122.78 144.91 48.86 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.723 -0.473 . . . . 75.310000000000002 109.723 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -90.18 142.43 27.73 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.958 -0.565 . . . . 73.25 111.157 -177.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 440' ' ' ILE . . . . . 0.752 HD12 HD11 ' P' ' 647' ' ' LEU . 40.2 mt -119.97 118.28 56.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.48 -0.782 . . . . 75.140000000000001 109.892 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 441' ' ' ASP . . . . . 0.582 ' OD2' HG22 ' W' ' 444' ' ' THR . 12.3 t70 -95.81 120.14 35.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.379 0.609 . . . . 73.230000000000004 110.753 179.109 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -82.2 -7.19 59.62 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.25 -0.886 . . . . 73.219999999999999 111.51 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -84.28 -58.03 2.92 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.655 0.264 . . . . 72.140000000000001 111.563 -177.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 444' ' ' THR . . . . . 0.582 HG22 ' OD2' ' W' ' 441' ' ' ASP . 4.2 t -95.54 -0.67 51.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.118 0.485 . . . . 75.409999999999997 110.291 -178.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt 63.09 65.56 0.78 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.344 -0.844 . . . . 74.140000000000001 111.686 175.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 5.7 t -151.88 167.95 26.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.856 0.36 . . . . 74.120000000000005 111.159 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 447' ' ' THR . . . . . 0.543 HG21 HG12 ' W' ' 440' ' ' ILE . 20.8 p -120.25 145.59 46.9 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.336 -0.616 . . . . 72.019999999999996 109.336 177.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 448' ' ' THR . . . . . 0.508 ' OG1' ' HG2' ' W' ' 450' ' ' GLU . 14.5 t -141.24 156.29 45.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.236 0.541 . . . . 71.510000000000005 111.939 -178.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -105.56 -6.7 19.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.172 -0.922 . . . . 74.239999999999995 110.782 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 450' ' ' GLU . . . . . 0.508 ' HG2' ' OG1' ' W' ' 448' ' ' THR . 11.3 pt-20 -99.23 161.83 13.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.963 -0.562 . . . . 71.340000000000003 110.849 -176.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -89.44 123.97 65.53 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.225 -0.443 . . . . 74.549999999999997 110.787 -174.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -84.76 -8.3 9.3 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 122.701 2.267 . . . . 73.219999999999999 113.858 -178.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 453' ' ' ARG . . . . . 0.728 ' HE ' ' HA ' ' W' ' 453' ' ' ARG . 2.4 mmp_? -94.82 -24.13 17.19 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.998 -0.439 . . . . 74.140000000000001 111.947 178.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 75.7 mt -77.06 -16.39 59.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.166 0.508 . . . . 73.340000000000003 110.465 177.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 115.765 -0.652 . . . . 73.420000000000002 109.806 -178.44 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo . . . . . 0 C--O 1.235 0.353 0 CA-C-O 120.84 0.267 . . . . 72.420000000000002 112.334 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' P' P ' 641' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -70.16 162.41 42.37 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.347 2.032 . . . . 74.420000000000002 111.628 178.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 642' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.65 169.49 4.28 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.817 2.345 . . . . 74.109999999999999 112.933 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 643' ' ' ALA . . . . . 0.45 ' O ' HG22 ' P' ' 646' ' ' THR . . . -64.37 145.17 56.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.943 -0.572 . . . . 72.540000000000006 111.254 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -55.41 -39.38 70.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.062 -0.517 . . . . 74.420000000000002 111.35 -178.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -64.83 -26.6 68.41 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.554 0.576 . . . . 75.150000000000006 112.554 -177.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' P' P ' 646' ' ' THR . . . . . 0.45 HG22 ' O ' ' P' ' 643' ' ' ALA . 6.3 t -99.16 -2.44 36.85 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.626 -0.43 . . . . 75.140000000000001 111.288 -177.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 647' ' ' LEU . . . . . 0.752 HD11 HD12 ' W' ' 440' ' ' ILE . 3.6 pp -116.87 -10.41 11.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.83 0.348 . . . . 74.319999999999993 111.224 178.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 C-N-CA 121.053 -0.594 . . . . 73.409999999999997 111.803 -179.585 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' W' W ' 423' ' ' LEU . . . . . 0.474 HD12 ' CE1' ' W' ' 439' ' ' PHE . 2.7 mm? . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.473 0.178 . . . . 72.109999999999999 110.98 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.2 165.69 8.51 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.632 2.222 . . . . 75.219999999999999 111.402 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -71.97 107.52 4.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.173 0.511 . . . . 75.099999999999994 110.31 -177.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 129.76 -21.16 5.06 Favored Glycine 0 N--CA 1.441 -1.025 0 N-CA-C 110.386 -1.086 . . . . 44.539999999999999 110.386 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 427' ' ' TRP . . . . . . . . . . . . . 53.8 m95 -102.59 128.28 49.32 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.04 -0.356 . . . . 72.129999999999995 110.04 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -113.66 165.6 12.37 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.4 -0.963 . . . . 73.140000000000001 108.4 177.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 11.7 p -124.88 137.57 57.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.441 0.638 . . . . 63.140000000000001 110.866 177.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 430' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -123.92 -153.18 0.54 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.671 -0.695 . . . . 73.049999999999997 110.415 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -153.75 125.28 7.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.723 0.297 . . . . 74.120000000000005 110.657 -168.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -100.87 155.87 35.81 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.996 -0.547 . . . . 55.439999999999998 109.745 177.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.77 -25.34 51.13 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.984 2.456 . . . . 75.150000000000006 113.111 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -72.64 -12.27 60.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.277 -0.419 . . . . 64.310000000000002 111.118 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 97.95 1.76 58.43 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 111.407 -0.677 . . . . 71.510000000000005 111.407 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 436' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -86.56 131.19 46.43 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.484 -0.358 . . . . 73.430000000000007 110.961 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -87.8 99.14 0.44 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 122.532 2.155 . . . . 74.299999999999997 111.439 176.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -86.28 143.15 28.06 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.545 -0.539 . . . . 75.230000000000004 109.545 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 439' ' ' PHE . . . . . 0.474 ' CE1' HD12 ' W' ' 423' ' ' LEU . 44.8 m-85 -93.23 151.05 20.05 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.844 -0.616 . . . . 73.299999999999997 110.671 -177.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' W' W ' 440' ' ' ILE . . . . . 0.756 HG12 HG23 ' W' ' 447' ' ' THR . 22.4 mt -124.97 120.54 58.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.03 -0.532 . . . . 72.420000000000002 109.902 -178.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' W' W ' 441' ' ' ASP . . . . . 0.414 ' OD2' HG23 ' W' ' 444' ' ' THR . 9.1 t70 -90.52 120.48 31.65 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.91 0.386 . . . . 72.040000000000006 111.224 -178.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -77.75 -10.44 59.54 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.03 -0.532 . . . . 74.140000000000001 112.402 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -73.78 -57.01 4.27 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.749 -0.38 . . . . 70.400000000000006 111.242 -177.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 444' ' ' THR . . . . . 0.414 HG23 ' OD2' ' W' ' 441' ' ' ASP . 9.1 t -104.51 0.24 28.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.056 0.455 . . . . 72.5 110.451 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.72 64.49 1.03 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.581 -0.736 . . . . 72.430000000000007 111.686 178.182 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 14.8 t -141.96 165.79 26.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.195 -0.457 . . . . 73.420000000000002 110.365 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 447' ' ' THR . . . . . 0.756 HG23 HG12 ' W' ' 440' ' ' ILE . 8.8 p -113.01 143.14 44.82 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.335 -0.393 . . . . 73.219999999999999 110.485 178.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 11.6 t -136.86 157.53 46.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.028 0.442 . . . . 75.519999999999996 110.792 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 449' ' ' TRP . . . . . 0.584 ' CZ2' ' HD3' ' P' ' 641' ' ' PRO . 94.0 m95 -104.4 -7.34 19.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.101 -0.5 . . . . 74.239999999999995 110.949 -179.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -93.03 155.49 17.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.99 -0.55 . . . . 74.329999999999998 110.629 -175.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -94.46 128.91 38.42 Favored Pre-proline 0 N--CA 1.464 0.26 0 CA-C-N 116.39 -0.368 . . . . 73.450000000000003 110.292 -176.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 452' ' ' PRO . . . . . 0.423 ' HG2' HD11 ' W' ' 423' ' ' LEU . 95.6 Cg_endo -87.37 -0.7 7.6 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.834 2.356 . . . . 73.120000000000005 114.182 -178.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' W' W ' 453' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -92.17 -36.61 13.19 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 121.469 -0.769 . . . . 75.409999999999997 112.547 176.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 3.1 pp -74.34 -7.75 53.91 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.134 0.492 . . . . 74.329999999999998 111.596 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt . . . . . 0 C--N 1.319 -0.718 0 N-CA-C 108.01 -1.108 . . . . 75.049999999999997 108.01 175.465 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo . . . . . 0 N--CA 1.464 -0.263 0 CA-C-O 120.766 0.236 . . . . 74.239999999999995 112.059 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' P' P ' 641' ' ' PRO . . . . . 0.584 ' HD3' ' CZ2' ' W' ' 449' ' ' TRP . 92.9 Cg_endo -85.01 152.3 11.07 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 122.722 2.282 . . . . 71.510000000000005 112.46 -178.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 642' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' P' ' 641' ' ' PRO . 6.1 Cg_exo -78.3 174.27 12.65 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 123.469 2.779 . . . . 64.239999999999995 112.275 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -72.6 155.91 39.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.878 -0.601 . . . . 73.030000000000001 111.065 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 644' ' ' TYR . . . . . 0.546 ' HA ' ' HG ' ' P' ' 647' ' ' LEU . 88.8 t80 -59.15 -36.6 75.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 73.219999999999999 111.491 -178.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -59.73 -20.08 54.14 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.014 0.746 . . . . 70.010000000000005 113.014 -177.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 13.0 t -113.91 -20.96 10.86 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.451 -0.5 . . . . 75.25 112.224 -178.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' P' P ' 647' ' ' LEU . . . . . 0.546 ' HG ' ' HA ' ' P' ' 644' ' ' TYR . 3.9 pp -87.42 -10.33 52.26 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 122.049 -0.407 . . . . 73.120000000000005 111.447 -179.119 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.936 -0.649 . . . . 72.510000000000005 112.594 179.412 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.806 0.336 . . . . 74.140000000000001 111.692 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' W' W ' 424' ' ' PRO . . . . . 0.519 ' HB2' ' CD1' ' W' ' 427' ' ' TRP . 23.1 Cg_exo -64.07 172.27 6.41 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.959 2.439 . . . . 54.530000000000001 111.826 176.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -70.6 109.61 4.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.063 0.459 . . . . 72.150000000000006 111.16 -175.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 112.07 -20.56 21.53 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.677 -0.773 . . . . 72.200000000000003 112.787 178.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 427' ' ' TRP . . . . . 0.637 ' HZ3' HG21 ' W' ' 448' ' ' THR . 50.2 m95 -85.92 115.62 23.65 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.157 0.504 . . . . 73.040000000000006 111.002 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -107.56 169.41 8.61 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.98 0.419 . . . . 75.140000000000001 111.047 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 89.6 t -127.14 129.59 71.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.86 -0.609 . . . . 74.510000000000005 110.278 -176.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 430' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -110.4 -158.19 0.64 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.187 -0.301 . . . . 72.349999999999994 110.187 178.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -155.02 110.72 3.12 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 121.228 -0.189 . . . . 74.209999999999994 110.736 -171.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -81.99 154.53 70.12 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 109.325 -0.62 . . . . 74.209999999999994 109.325 176.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -51.95 -31.82 45.13 Favored 'Trans proline' 0 N--CA 1.475 0.425 0 C-N-CA 123.19 2.593 . . . . 73.140000000000001 113.434 -178.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -77.01 -7.46 55.68 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.493 -0.322 . . . . 72.430000000000007 111.525 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 94.2 18.19 37.45 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.776 -0.726 . . . . 75.010000000000005 111.799 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 436' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -94.14 114.41 63.18 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.001 0.429 . . . . 75.430000000000007 110.477 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -83.96 106.13 1.2 Allowed 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 122.795 2.33 . . . . 74.140000000000001 112.575 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -94.9 157.83 15.74 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 120.076 -0.65 . . . . 73.439999999999998 109.515 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -95.44 143.35 26.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.374 0.607 . . . . 74.109999999999999 111.518 -175.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 440' ' ' ILE . . . . . . . . . . . . . 58.2 mt -112.81 134.46 55.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.074 -0.966 . . . . 65.209999999999994 108.734 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 441' ' ' ASP . . . . . 0.429 ' OD2' HG23 ' W' ' 444' ' ' THR . 24.2 t70 -108.32 116.06 31.26 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.247 0.546 . . . . 73.349999999999994 111.901 -176.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 44.3 m-70 -79.6 1.28 26.67 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.514 -0.767 . . . . 72.109999999999999 111.919 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -91.33 -58.55 2.41 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 121.945 -0.472 . . . . 75.430000000000007 111.917 -175.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 444' ' ' THR . . . . . 0.429 HG23 ' OD2' ' W' ' 441' ' ' ASP . 8.9 t -104.07 3.59 33.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.915 0.388 . . . . 72.120000000000005 110.523 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp 65.41 65.27 0.57 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.663 -0.699 . . . . 74.519999999999996 111.596 176.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 13.2 t -152.62 -177.69 6.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.08 -0.509 . . . . 72.409999999999997 110.418 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 447' ' ' THR . . . . . . . . . . . . . 17.1 p -119.81 150.09 41.0 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.171 -0.677 . . . . 75.030000000000001 109.171 176.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 448' ' ' THR . . . . . 0.637 HG21 ' HZ3' ' W' ' 427' ' ' TRP . 5.3 t -146.95 155.66 42.45 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.033 -0.667 . . . . 72.219999999999999 111.663 -177.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -106.12 -15.59 14.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.739 -0.664 . . . . 73.230000000000004 111.152 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 450' ' ' GLU . . . . . 0.502 ' HG2' ' OG1' ' W' ' 448' ' ' THR . 11.3 pt-20 -75.24 130.52 39.25 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.3 0.571 . . . . 73.209999999999994 111.345 -178.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -84.51 124.03 73.91 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.48 -0.782 . . . . 74.239999999999995 111.233 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -95.24 24.26 0.36 Allowed 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 123.635 2.89 . . . . 70.109999999999999 112.186 177.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 453' ' ' ARG . . . . . 0.76 ' HA ' ' NE ' ' W' ' 453' ' ' ARG . 3.2 mmp_? -100.48 -50.6 3.86 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.796 -0.638 . . . . 74.430000000000007 111.475 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 92.9 mt -76.43 1.67 15.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.821 -0.627 . . . . 72.230000000000004 111.373 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 455' ' ' LYS . . . . . 0.582 ' HZ2' ' HB3' ' W' ' 455' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 116.193 -0.458 . . . . 74.319999999999993 110.681 -179.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo . . . . . 0 C--O 1.234 0.279 0 N-CA-C 111.189 -0.351 . . . . 73.329999999999998 111.189 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' P' P ' 641' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -80.62 124.98 5.38 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.497 2.131 . . . . 71.329999999999998 112.806 -177.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 642' ' ' PRO . . . . . 0.593 ' HD2' HD21 ' P' ' 647' ' ' LEU . 13.4 Cg_exo -70.76 173.6 11.63 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.519 2.813 . . . . 72.230000000000004 111.978 178.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 643' ' ' ALA . . . . . 0.557 ' O ' ' HG ' ' P' ' 647' ' ' LEU . . . -72.2 156.92 38.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.045 0.45 . . . . 65.25 111.495 -178.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -57.01 -29.09 63.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.628 -0.715 . . . . 75.340000000000003 111.945 -177.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -62.74 -30.47 71.45 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.464 0.542 . . . . 73.120000000000005 112.464 -177.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 11.7 t -109.34 3.84 21.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.279 0.562 . . . . 75.549999999999997 110.842 -178.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' P' P ' 647' ' ' LEU . . . . . 0.593 HD21 ' HD2' ' P' ' 642' ' ' PRO . 43.8 mt -88.93 -20.06 25.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.281 -0.418 . . . . 74.109999999999999 111.078 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.609 -0.805 . . . . 63.420000000000002 112.117 179.817 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--O 1.233 0.234 0 N-CA-C 108.579 -0.897 . . . . 72.219999999999999 108.579 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -53.83 125.09 17.53 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 121.451 1.434 . . . . 74.120000000000005 109.678 173.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.19 96.91 0.08 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.951 0.881 . . . . 74.150000000000006 112.274 -174.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 154.83 -20.48 0.59 Allowed Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 108.231 -1.948 . . . . 74.099999999999994 108.231 172.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 427' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -89.36 171.71 9.56 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 114.199 -1.0 . . . . 74.400000000000006 109.26 173.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 428' ' ' GLU . . . . . 0.534 ' HB2' ' NE2' ' W' ' 442' ' ' HIS . 9.2 tp10 -146.88 146.91 30.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.158 0.504 . . . . 73.420000000000002 111.886 -176.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 62.4 t -97.93 125.82 51.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.222 -0.899 . . . . 73.329999999999998 109.811 175.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 430' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' W' ' 437' ' ' PRO . 7.8 tpt180 -133.26 147.03 51.92 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.234 -0.587 . . . . 75.200000000000003 110.943 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 18.6 m170 -91.74 138.81 31.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.069 0.462 . . . . 63.350000000000001 111.886 -178.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -101.54 163.75 17.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.338 -0.846 . . . . 72.430000000000007 109.48 176.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.85 -6.05 3.13 Favored 'Trans proline' 0 CA--C 1.534 0.504 0 C-N-CA 123.093 2.529 . . . . 71.510000000000005 113.642 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -107.87 15.45 24.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.966 0.412 . . . . 61.130000000000003 110.544 -178.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 70.59 9.87 65.96 Favored Glycine 0 C--O 1.229 -0.184 0 C-N-CA 121.119 -0.562 . . . . 63.43 112.575 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 436' ' ' ARG . . . . . 0.424 ' HA ' ' HD3' ' W' ' 437' ' ' PRO . 19.5 tpp180 -93.53 118.3 67.51 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 110.248 -0.278 . . . . 75.129999999999995 110.248 -179.309 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 437' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' W' ' 436' ' ' ARG . 5.8 Cg_exo -78.9 111.44 2.96 Favored 'Trans proline' 0 N--CA 1.453 -0.906 0 C-N-CA 122.841 2.361 . . . . 73.200000000000003 111.471 176.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -99.85 165.71 11.43 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.844 -0.428 . . . . 73.200000000000003 109.844 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 439' ' ' PHE . . . . . 0.431 ' CE2' ' HB2' ' W' ' 451' ' ' ASP . 80.6 m-85 -108.32 142.92 37.92 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.977 -0.556 . . . . 73.049999999999997 111.28 -175.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 440' ' ' ILE . . . . . 0.773 HG12 HG21 ' W' ' 447' ' ' THR . 21.9 mt -127.34 153.97 37.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.299 -0.864 . . . . 74.25 109.821 -178.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 441' ' ' ASP . . . . . 0.491 ' OD2' HG23 ' W' ' 444' ' ' THR . 6.2 t70 -112.11 131.79 55.23 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 107.781 -1.192 . . . . 73.439999999999998 107.781 173.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 442' ' ' HIS . . . . . 0.534 ' NE2' ' HB2' ' W' ' 428' ' ' GLU . 26.8 m170 -79.53 -25.04 41.8 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 119.785 1.175 . . . . 74.439999999999998 110.713 -176.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -60.65 -56.9 15.81 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.953 -0.567 . . . . 63.130000000000003 112.004 -174.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 444' ' ' THR . . . . . 0.681 HG22 ' HB ' ' W' ' 446' ' ' THR . 13.3 t -107.45 7.84 29.17 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.399 -0.364 . . . . 72.0 111.301 -176.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 60.36 30.69 20.02 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.254 0.55 . . . . 73.099999999999994 110.675 179.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 446' ' ' THR . . . . . 0.681 ' HB ' HG22 ' W' ' 444' ' ' THR . 1.0 OUTLIER -92.75 141.66 28.21 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.304 -0.862 . . . . 75.409999999999997 111.773 -176.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' W' W ' 447' ' ' THR . . . . . 0.773 HG21 HG12 ' W' ' 440' ' ' ILE . 16.4 p -111.33 145.4 38.91 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.803 -0.635 . . . . 61.299999999999997 109.948 177.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 448' ' ' THR . . . . . 0.434 ' OG1' ' HG2' ' W' ' 450' ' ' GLU . 13.2 t -144.41 163.57 33.38 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.972 0.415 . . . . 63.119999999999997 111.131 -178.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -105.41 -5.9 19.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.056 -0.52 . . . . 74.310000000000002 111.266 -178.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 450' ' ' GLU . . . . . 0.434 ' HG2' ' OG1' ' W' ' 448' ' ' THR . 7.3 pt-20 -101.04 160.65 14.2 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.429 -0.582 . . . . 71.409999999999997 109.429 -179.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 451' ' ' ASP . . . . . 0.553 ' O ' ' HG2' ' W' ' 455' ' ' LYS . 1.8 t70 -114.52 131.37 23.38 Favored Pre-proline 0 C--N 1.323 -0.57 0 C-N-CA 121.327 -0.149 . . . . 75.519999999999996 111.317 -173.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.51 -4.26 15.03 Favored 'Trans proline' 0 CA--C 1.537 0.675 0 C-N-CA 123.106 2.537 . . . . 74.340000000000003 114.036 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 453' ' ' ARG . . . . . 0.505 ' HB2' ' OD2' ' W' ' 451' ' ' ASP . 1.0 OUTLIER -81.7 -50.61 9.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.026 0.441 . . . . 75.450000000000003 110.791 175.072 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' W' W ' 454' ' ' LEU . . . . . 0.445 ' HG ' ' OD2' ' W' ' 451' ' ' ASP . 3.9 pp -80.94 -2.5 47.96 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.567 0.581 . . . . 73.25 112.567 -177.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 455' ' ' LYS . . . . . 0.553 ' HG2' ' O ' ' W' ' 451' ' ' ASP . 18.1 ptpt . . . . . 0 C--N 1.326 -0.422 0 N-CA-C 109.537 -0.542 . . . . 72.329999999999998 109.537 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 640' ' ' PRO . . . . . 0.418 ' HA ' ' HD3' ' P' ' 641' ' ' PRO . 2.4 Cg_endo . . . . . 0 N--CA 1.452 -0.936 0 CA-C-O 120.863 0.276 . . . . 74.310000000000002 112.27 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 641' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' P' ' 640' ' ' PRO . 34.2 Cg_endo -92.94 141.52 1.98 Allowed 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 123.133 2.556 . . . . 70.510000000000005 111.482 176.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 642' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.1 136.38 72.9 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.562 2.175 . . . . 74.319999999999993 112.236 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -65.93 147.53 53.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.17 -0.468 . . . . 75.109999999999999 110.418 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 644' ' ' TYR . . . . . 0.482 ' HA ' ' HB2' ' P' ' 647' ' ' LEU . 27.6 t80 -62.84 -14.8 50.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.101 0.476 . . . . 75.420000000000002 110.812 -178.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -61.14 -37.81 84.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.859 -0.61 . . . . 74.400000000000006 110.82 177.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 14.2 t -96.63 -11.45 25.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.143 0.497 . . . . 71.209999999999994 110.439 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' P' P ' 647' ' ' LEU . . . . . 0.482 ' HB2' ' HA ' ' P' ' 644' ' ' TYR . 93.6 mt -84.72 -43.08 14.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.069 -0.514 . . . . 74.319999999999993 110.757 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 C-N-CA 120.94 -0.648 . . . . 71.200000000000003 112.037 -179.913 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.794 0 N-CA-C 111.251 -0.74 . . . . 74.450000000000003 111.251 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 73.6 m -68.71 128.5 36.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.931 0.396 . . . . 74.25 110.12 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 418' ' ' MET . . . . . 0.551 ' HG2' ' HA ' ' W' ' 454' ' ' LEU . 30.3 mtm -119.27 -94.3 0.5 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.314 -0.624 . . . . 72.200000000000003 109.314 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 419' ' ' GLU . . . . . 0.424 ' H ' ' HB2' ' W' ' 418' ' ' MET . 47.9 mt-10 52.22 78.92 0.12 Allowed 'General case' 0 C--O 1.232 0.176 0 O-C-N 124.115 0.884 . . . . 72.299999999999997 112.885 174.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -47.2 101.32 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.73 0.776 . . . . 75.099999999999994 112.146 176.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . -154.97 -46.2 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 109.979 -1.248 . . . . 71.120000000000005 109.979 178.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 422' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -113.58 137.37 51.68 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.302 -0.999 . . . . 73.310000000000002 108.302 174.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -114.39 157.67 41.94 Favored Pre-proline 0 C--N 1.316 -0.849 0 C-N-CA 121.179 -0.209 . . . . 72.5 110.905 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -68.43 172.01 12.0 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.901 2.401 . . . . 54.310000000000002 111.876 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -57.75 135.87 56.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.109 -0.496 . . . . 74.019999999999996 110.748 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 77.64 -5.33 52.7 Favored Glycine 0 CA--C 1.52 0.391 0 CA-C-N 115.84 -0.618 . . . . 70.530000000000001 113.893 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 427' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -102.88 124.83 49.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 117.529 0.665 . . . . 74.099999999999994 111.47 -178.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -114.45 165.41 12.77 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.045 -0.724 . . . . 71.349999999999994 109.045 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 14.2 p -135.66 135.98 50.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.484 -0.562 . . . . 70.030000000000001 109.484 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 430' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -138.12 170.05 16.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.426 -0.352 . . . . 74.439999999999998 110.142 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -106.85 133.8 50.96 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.781 0.324 . . . . 74.530000000000001 110.358 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -85.73 155.68 58.79 Favored Pre-proline 0 C--N 1.319 -0.76 0 N-CA-C 108.95 -0.759 . . . . 72.430000000000007 108.95 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.14 -23.58 45.44 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.552 2.168 . . . . 72.510000000000005 112.182 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -74.88 -14.47 60.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 74.400000000000006 111.262 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 106.95 -19.54 35.14 Favored Glycine 0 CA--C 1.518 0.226 0 C-N-CA 120.732 -0.747 . . . . 53.0 112.804 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 436' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -81.0 140.25 49.87 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-O 120.859 0.361 . . . . 72.209999999999994 111.269 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -83.16 140.16 9.75 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.798 2.332 . . . . 73.409999999999997 112.103 177.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -131.11 149.72 52.47 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.007 0.432 . . . . 74.340000000000003 109.987 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -96.9 141.66 29.82 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.583 -0.735 . . . . 72.319999999999993 110.58 -177.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 440' ' ' ILE . . . . . 0.46 HD13 HD21 ' P' ' 647' ' ' LEU . 13.8 mt -121.54 114.22 42.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.251 -0.886 . . . . 74.319999999999993 110.465 -176.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 441' ' ' ASP . . . . . 0.571 ' OD2' HG21 ' W' ' 444' ' ' THR . 18.8 t70 -89.0 109.67 20.47 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.066 0.46 . . . . 71.409999999999997 110.884 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 39.6 m-70 -61.8 -24.57 66.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.641 -0.709 . . . . 72.230000000000004 112.141 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -66.58 -56.88 8.7 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.436 0.532 . . . . 61.149999999999999 112.436 -174.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 444' ' ' THR . . . . . 0.571 HG21 ' OD2' ' W' ' 441' ' ' ASP . 14.8 t -111.19 11.29 21.83 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.23 0.456 . . . . 75.239999999999995 112.23 -177.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp 64.0 29.13 14.39 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.141 -0.482 . . . . 64.540000000000006 112.009 175.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 4.1 t -104.7 151.23 23.96 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.258 0.551 . . . . 73.439999999999998 111.195 -178.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 447' ' ' THR . . . . . . . . . . . . . 2.7 p -116.03 146.86 41.81 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.702 -0.681 . . . . 75.409999999999997 110.083 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 8.9 t -145.37 150.96 37.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.002 0.43 . . . . 71.329999999999998 111.606 -179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -97.05 -9.44 28.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.321 0.581 . . . . 72.340000000000003 109.532 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -85.7 151.65 23.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.18 -0.918 . . . . 72.349999999999994 110.111 -176.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 451' ' ' ASP . . . . . 0.419 ' HB3' ' HG ' ' W' ' 454' ' ' LEU . 12.9 t70 -94.87 123.53 57.4 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 109.977 -0.379 . . . . 72.099999999999994 109.977 -176.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -81.68 -4.87 12.32 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.782 2.321 . . . . 73.200000000000003 113.957 -177.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 453' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -93.75 -32.48 13.99 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.942 -0.303 . . . . 72.310000000000002 111.701 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 454' ' ' LEU . . . . . 0.896 HD13 ' HG3' ' W' ' 455' ' ' LYS . 3.7 pp -78.11 -8.5 58.33 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.268 0.556 . . . . 75.349999999999994 110.724 178.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 455' ' ' LYS . . . . . 0.896 ' HG3' HD13 ' W' ' 454' ' ' LEU . 61.1 mtpt -115.84 128.81 56.1 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.673 -1.232 . . . . 75.239999999999995 107.673 174.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 456' ' ' ILE . . . . . . . . . . . . . 62.2 mt -104.27 114.16 64.53 Favored Pre-proline 0 C--N 1.32 -0.71 0 C-N-CA 120.622 -0.431 . . . . 75.420000000000002 111.635 -173.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 457' ' ' PRO . . . . . . . . . . . . . 6.8 Cg_exo -74.42 118.57 5.4 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 122.87 2.38 . . . . 74.540000000000006 110.994 175.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.222 -0.445 . . . . 62.340000000000003 110.304 -178.921 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 21.7 p . . . . . 0 C--O 1.232 0.166 0 CA-C-O 121.16 0.505 . . . . 74.5 110.995 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' P' P ' 639' ' ' ALA . . . . . . . . . . . . . . . -124.68 144.81 47.54 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.716 -0.675 . . . . 62.039999999999999 110.401 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -80.16 151.03 20.56 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.598 2.199 . . . . 74.129999999999995 111.705 177.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 641' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -81.2 150.34 17.59 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.077 1.851 . . . . 73.109999999999999 111.999 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 642' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.97 140.26 91.9 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.677 2.251 . . . . 75.200000000000003 112.104 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -68.52 163.89 22.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.133 0.492 . . . . 65.430000000000007 111.078 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -61.22 -39.75 91.42 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.6 -0.727 . . . . 54.310000000000002 111.082 -177.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -76.01 -20.34 57.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.542 0.687 . . . . 72.230000000000004 110.221 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 95.0 m -78.16 -36.98 46.91 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.2 -0.909 . . . . 71.109999999999999 110.869 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' P' P ' 647' ' ' LEU . . . . . 0.46 HD21 HD13 ' W' ' 440' ' ' ILE . 4.2 pp -90.69 -6.27 54.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.889 -0.596 . . . . 71.219999999999999 111.475 -177.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.773 -0.727 . . . . 65.140000000000001 112.129 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 N-CA-C 111.958 -0.457 . . . . 62.219999999999999 111.958 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 28.0 t -156.69 122.48 4.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.973 0.416 . . . . 74.209999999999994 110.065 -178.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 418' ' ' MET . . . . . . . . . . . . . 37.8 tpp -119.85 124.34 45.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.217 -0.447 . . . . 73.530000000000001 110.414 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 419' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -63.12 126.67 28.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.977 -0.556 . . . . 62.130000000000003 111.017 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -61.64 112.62 2.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.203 0.525 . . . . 75.219999999999999 110.403 178.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . -136.05 -122.88 2.23 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.238 -0.892 . . . . 70.230000000000004 111.032 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 422' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -119.04 144.23 46.66 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.129 0.49 . . . . 74.430000000000007 111.081 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -94.94 155.64 38.89 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.359 -0.837 . . . . 71.129999999999995 110.158 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.52 164.2 24.42 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.637 2.225 . . . . 72.200000000000003 111.772 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 425' ' ' LYS . . . . . 0.432 ' C ' ' HD3' ' W' ' 425' ' ' LYS . 0.6 OUTLIER -50.59 125.91 14.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.402 0.62 . . . . 75.200000000000003 111.725 179.419 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 77.82 4.84 86.05 Favored Glycine 0 C--O 1.223 -0.556 0 CA-C-N 115.208 -0.906 . . . . 75.150000000000006 114.267 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 427' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -102.92 122.6 44.91 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 118.136 0.968 . . . . 73.430000000000007 110.596 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 428' ' ' GLU . . . . . 0.43 ' HB2' ' CD2' ' W' ' 442' ' ' HIS . 6.5 tp10 -114.01 165.81 12.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.631 -0.713 . . . . 74.340000000000003 109.181 -179.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 5.9 p -135.85 132.12 50.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 N-CA-C 109.315 -0.624 . . . . 72.329999999999998 109.315 176.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 430' ' ' ARG . . . . . 0.428 ' O ' ' HA ' ' W' ' 437' ' ' PRO . 6.7 mtt180 -124.17 161.42 25.74 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.479 -0.328 . . . . 72.329999999999998 110.186 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -98.94 118.81 36.56 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 110.195 -0.298 . . . . 74.239999999999995 110.195 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 432' ' ' ALA . . . . . 0.461 ' HB3' ' HD2' ' W' ' 438' ' ' PHE . . . -75.72 154.88 85.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 116.346 -0.388 . . . . 71.120000000000005 110.394 -179.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -57.91 -20.59 45.16 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.642 2.228 . . . . 75.349999999999994 111.97 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 -69.54 -15.93 63.33 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.113 -0.494 . . . . 75.140000000000001 110.663 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 96.59 18.05 31.58 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.81 -0.71 . . . . 72.209999999999994 112.355 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 436' ' ' ARG . . . . . 0.549 ' HG2' ' HD2' ' W' ' 437' ' ' PRO . 1.9 tmm_? -135.47 137.26 25.75 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 109.455 -0.572 . . . . 73.010000000000005 109.455 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 437' ' ' PRO . . . . . 0.549 ' HD2' ' HG2' ' W' ' 436' ' ' ARG . 55.2 Cg_endo -71.64 149.63 55.43 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.701 2.267 . . . . 64.010000000000005 114.114 -178.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 438' ' ' PHE . . . . . 0.461 ' HD2' ' HB3' ' W' ' 432' ' ' ALA . 52.1 p90 -134.78 157.49 46.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.939 -1.028 . . . . 74.040000000000006 108.408 174.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -100.2 141.91 32.4 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.411 0.624 . . . . 75.519999999999996 111.937 -175.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 440' ' ' ILE . . . . . 0.752 HG12 HG22 ' W' ' 447' ' ' THR . 35.9 mt -122.45 115.59 46.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.148 -0.933 . . . . 71.439999999999998 109.927 -178.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 441' ' ' ASP . . . . . 0.573 ' OD2' HG21 ' W' ' 444' ' ' THR . 17.7 t70 -85.84 109.02 18.4 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.994 0.426 . . . . 75.129999999999995 111.148 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 442' ' ' HIS . . . . . 0.43 ' CD2' ' HB2' ' W' ' 428' ' ' GLU . 60.7 m-70 -60.57 -23.91 65.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.987 -0.551 . . . . 72.439999999999998 111.792 177.136 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 443' ' ' ASN . . . . . 0.439 ' HB2' ' OD2' ' W' ' 441' ' ' ASP . 61.5 m-80 -62.2 -57.07 12.84 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.619 0.229 . . . . 63.310000000000002 111.619 -177.312 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 444' ' ' THR . . . . . 0.573 HG21 ' OD2' ' W' ' 441' ' ' ASP . 12.2 t -109.43 5.57 23.51 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.014 0.375 . . . . 74.310000000000002 112.014 -178.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 13.8 mptt 65.73 31.26 9.79 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 112.08 0.4 . . . . 75.109999999999999 112.08 177.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 4.5 t -104.41 161.84 13.74 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.301 -0.409 . . . . 74.109999999999999 110.906 -178.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 447' ' ' THR . . . . . 0.752 HG22 HG12 ' W' ' 440' ' ' ILE . 10.4 p -122.11 141.92 50.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.938 -0.574 . . . . 74.439999999999998 109.992 178.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 13.2 t -147.34 163.48 36.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.009 0.433 . . . . 71.409999999999997 111.118 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 449' ' ' TRP . . . . . 0.429 ' HZ2' ' HD3' ' P' ' 641' ' ' PRO . 86.1 m95 -104.36 -8.49 19.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.837 -0.62 . . . . 64.120000000000005 110.422 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -78.11 146.19 35.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.047 -0.524 . . . . 73.010000000000005 110.439 -178.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 451' ' ' ASP . . . . . 0.47 ' OD2' ' HG ' ' W' ' 454' ' ' LEU . 19.1 t70 -89.06 124.33 65.26 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.363 -0.38 . . . . 61.229999999999997 110.368 -178.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -86.94 -0.31 7.85 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.86 2.373 . . . . 73.040000000000006 113.553 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 453' ' ' ARG . . . . . . . . . . . . . 46.4 mtp85 -87.75 -46.51 9.41 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.188 0.44 . . . . 73.310000000000002 112.188 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 454' ' ' LEU . . . . . 0.47 ' HG ' ' OD2' ' W' ' 451' ' ' ASP . 3.7 pp -80.46 -10.3 59.75 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.812 -0.355 . . . . 73.420000000000002 111.744 -177.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 455' ' ' LYS . . . . . 0.49 ' HB2' ' HZ3' ' W' ' 455' ' ' LYS . 0.4 OUTLIER -146.88 153.29 39.96 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.774 -0.454 . . . . 74.340000000000003 109.774 178.471 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' W' W ' 456' ' ' ILE . . . . . 0.451 ' HA ' ' HD3' ' W' ' 457' ' ' PRO . 26.3 pt -70.4 135.57 86.5 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 120.933 0.397 . . . . 74.329999999999998 111.177 -178.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 457' ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' W' ' 456' ' ' ILE . 5.8 Cg_exo -78.52 176.72 9.58 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 123.11 2.54 . . . . 72.200000000000003 112.431 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 116.059 -0.519 . . . . 70.219999999999999 111.04 179.268 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 15.1 m . . . . . 0 C--O 1.234 0.289 0 CA-C-O 120.965 0.412 . . . . 75.450000000000003 110.678 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' P' P ' 639' ' ' ALA . . . . . 0.407 ' HA ' ' HD3' ' P' ' 640' ' ' PRO . . . -100.79 119.26 58.87 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.314 -0.403 . . . . 70.400000000000006 109.936 177.26 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 640' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' P' ' 639' ' ' ALA . 13.4 Cg_exo -69.85 145.13 55.71 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 123.034 2.489 . . . . 65.420000000000002 112.328 -179.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 641' ' ' PRO . . . . . 0.449 ' HA ' ' HD3' ' P' ' 642' ' ' PRO . 92.9 Cg_endo -82.07 138.74 10.35 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.547 2.165 . . . . 74.239999999999995 112.084 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 642' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' P' ' 641' ' ' PRO . 6.0 Cg_exo -78.14 173.64 13.62 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 123.184 2.59 . . . . 73.25 112.098 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -70.35 159.28 34.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.381 -0.372 . . . . 63.43 110.113 177.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -59.22 -44.14 92.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.84 0.352 . . . . 72.140000000000001 111.701 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -72.93 -15.47 61.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.36 0.6 . . . . 71.230000000000004 110.529 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 90.4 m -87.56 -40.17 14.49 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.086 -0.961 . . . . 72.540000000000006 110.763 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 647' ' ' LEU . . . . . . . . . . . . . 4.2 pp -84.61 -16.44 42.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.905 -0.589 . . . . 74.430000000000007 111.476 -177.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.444 0 C-N-CA 120.675 -0.774 . . . . 61.299999999999997 112.067 179.732 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 N-CA-C 112.059 -0.416 . . . . 74.439999999999998 112.059 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 50.6 m -102.67 133.33 47.86 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.883 0.373 . . . . 74.109999999999999 111.021 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 418' ' ' MET . . . . . . . . . . . . . 47.6 tpp -65.33 -31.01 71.91 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.226 -0.657 . . . . 71.519999999999996 109.226 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 419' ' ' GLU . . . . . 0.515 ' HG2' ' NH1' ' W' ' 453' ' ' ARG . 10.6 tp10 -141.5 140.01 33.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.156 -0.929 . . . . 71.019999999999996 108.581 177.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -74.31 135.11 42.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.055 0.455 . . . . 73.219999999999999 111.228 -178.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . 109.43 -133.18 11.48 Favored Glycine 0 N--CA 1.443 -0.867 0 CA-C-N 115.784 -0.644 . . . . 73.120000000000005 111.971 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 422' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -129.34 -159.46 0.96 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.864 0.364 . . . . 73.150000000000006 110.174 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -68.42 158.57 84.52 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 109.124 -0.695 . . . . 71.150000000000006 109.124 177.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 424' ' ' PRO . . . . . 0.568 ' HB2' ' CD1' ' W' ' 427' ' ' TRP . 50.4 Cg_exo -53.39 145.03 47.59 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.128 1.886 . . . . 75.420000000000002 111.056 177.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -58.35 107.41 0.49 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.336 0.588 . . . . 72.430000000000007 111.49 -175.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 121.51 -6.24 10.67 Favored Glycine 0 N--CA 1.446 -0.659 0 CA-C-N 115.223 -0.899 . . . . 72.420000000000002 111.864 177.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 427' ' ' TRP . . . . . 0.568 ' CD1' ' HB2' ' W' ' 424' ' ' PRO . 32.7 m95 -100.21 124.98 46.29 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.905 -0.406 . . . . 75.430000000000007 109.905 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -127.78 156.62 42.18 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.835 -0.432 . . . . 73.439999999999998 109.835 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 43.0 t -103.55 135.53 40.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.918 0.39 . . . . 74.299999999999997 111.046 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 430' ' ' ARG . . . . . 0.543 ' HD2' HD11 ' W' ' 440' ' ' ILE . 0.2 OUTLIER -118.44 -153.77 0.54 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 75.150000000000006 110.566 179.692 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 12.6 m80 -151.32 111.23 4.07 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.948 -0.39 . . . . 72.530000000000001 109.948 -170.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 432' ' ' ALA . . . . . 0.45 ' HB3' ' HD1' ' W' ' 438' ' ' PHE . . . -90.21 149.9 42.21 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.676 -0.238 . . . . 74.200000000000003 110.43 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -51.92 -31.84 44.95 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.328 2.685 . . . . 75.439999999999998 112.921 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -64.95 -14.3 59.67 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.636 0.255 . . . . 74.450000000000003 111.611 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 94.84 23.75 19.68 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.505 -0.855 . . . . 75.040000000000006 111.461 -178.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 436' ' ' ARG . . . . . 0.414 ' HA ' ' HD3' ' W' ' 437' ' ' PRO . 15.3 mmm180 -119.47 123.14 28.85 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.483 -0.359 . . . . 73.129999999999995 110.869 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 437' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' W' ' 436' ' ' ARG . 11.7 Cg_exo -73.26 107.86 2.48 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 123.107 2.538 . . . . 75.030000000000001 111.919 177.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 438' ' ' PHE . . . . . 0.45 ' HD1' ' HB3' ' W' ' 432' ' ' ALA . 53.9 p90 -95.5 155.11 16.88 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.879 -0.415 . . . . 74.299999999999997 109.879 177.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -95.24 138.32 33.1 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.256 0.55 . . . . 73.219999999999999 110.986 -176.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 440' ' ' ILE . . . . . 0.543 HD11 ' HD2' ' W' ' 430' ' ' ARG . 34.7 mt -110.09 116.08 51.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.534 -0.757 . . . . 75.319999999999993 109.831 179.034 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 441' ' ' ASP . . . . . 0.534 ' OD2' HG21 ' W' ' 444' ' ' THR . 25.1 t70 -90.71 110.7 21.87 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.108 -0.701 . . . . 75.140000000000001 109.108 175.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -78.57 -8.31 58.47 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.468 -0.787 . . . . 75.129999999999995 110.659 -177.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -75.45 -57.74 3.7 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.046 0.387 . . . . 74.329999999999998 112.046 -177.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 444' ' ' THR . . . . . 0.534 HG21 ' OD2' ' W' ' 441' ' ' ASP . 13.8 t -101.97 1.89 37.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.806 0.336 . . . . 74.340000000000003 110.737 -179.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt 66.1 65.88 0.5 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.816 -0.629 . . . . 74.420000000000002 110.993 177.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 7.6 t -148.81 163.31 37.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.042 -0.527 . . . . 74.430000000000007 110.701 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 447' ' ' THR . . . . . . . . . . . . . 11.3 p -118.86 143.79 46.75 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.979 -0.378 . . . . 74.299999999999997 109.979 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 448' ' ' THR . . . . . 0.435 ' OG1' ' HG2' ' W' ' 450' ' ' GLU . 15.1 t -141.02 160.97 38.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.785 0.326 . . . . 72.409999999999997 111.251 -178.021 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 449' ' ' TRP . . . . . 0.562 ' HZ2' ' HD3' ' P' ' 641' ' ' PRO . 94.8 m95 -105.68 -7.92 18.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.263 -0.426 . . . . 64.219999999999999 111.46 -179.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 450' ' ' GLU . . . . . 0.435 ' HG2' ' OG1' ' W' ' 448' ' ' THR . 13.5 pt-20 -89.35 158.08 17.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.758 0.314 . . . . 74.219999999999999 111.218 -175.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -98.71 129.81 29.22 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 72.109999999999999 109.892 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -90.31 -18.02 1.4 Allowed 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 122.751 2.3 . . . . 74.319999999999993 114.668 -178.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 453' ' ' ARG . . . . . 0.88 ' HE ' ' HA ' ' W' ' 453' ' ' ARG . 2.3 mmp_? -93.56 -18.83 21.8 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 121.373 -0.83 . . . . 74.409999999999997 112.512 -177.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 86.2 mt -79.37 7.4 7.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.555 0.693 . . . . 73.329999999999998 109.585 174.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 455' ' ' LYS . . . . . 0.425 ' H ' ' C ' ' W' ' 453' ' ' ARG . 62.2 mmtt -128.9 148.88 50.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.873 -1.058 . . . . 75.430000000000007 108.776 -178.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 456' ' ' ILE . . . . . 0.429 ' HA ' ' HD3' ' W' ' 457' ' ' PRO . 13.6 pt -123.18 106.33 33.53 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 121.164 0.506 . . . . 75.430000000000007 110.925 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 457' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' W' ' 456' ' ' ILE . 3.0 Cg_exo -76.12 131.33 12.93 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 123.103 2.535 . . . . 63.009999999999998 111.906 179.247 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 116.103 -0.499 . . . . 73.25 110.646 179.581 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 24.6 m . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 120.943 0.402 . . . . 74.140000000000001 110.781 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' P' P ' 639' ' ' ALA . . . . . . . . . . . . . . . -101.25 117.62 61.8 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.173 -0.467 . . . . 65.200000000000003 110.389 178.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -64.89 148.52 89.91 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.972 2.448 . . . . 54.439999999999998 112.362 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 641' ' ' PRO . . . . . 0.562 ' HD3' ' HZ2' ' W' ' 449' ' ' TRP . 60.3 Cg_endo -72.12 154.12 57.22 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 122.655 2.236 . . . . 73.140000000000001 112.054 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' P' P ' 642' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.12 162.62 41.21 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.628 2.218 . . . . 65.030000000000001 111.976 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -78.22 157.17 29.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.349 -0.387 . . . . 74.409999999999997 110.563 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -52.35 -37.07 55.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.524 -0.762 . . . . 74.030000000000001 111.905 -177.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -64.01 -49.93 70.49 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.453 0.538 . . . . 65.310000000000002 112.453 -176.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 14.4 t -74.54 -22.99 58.74 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.513 0.56 . . . . 73.209999999999994 112.513 -176.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 647' ' ' LEU . . . . . . . . . . . . . 4.6 pp -91.06 -26.19 19.28 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.557 -0.457 . . . . 72.400000000000006 111.413 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.407 0 C-N-CA 120.552 -0.832 . . . . 65.510000000000005 112.687 179.287 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.68 0 N-CA-C 112.142 -0.383 . . . . 70.030000000000001 112.142 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 17.7 t -149.13 11.51 0.82 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.264 0.554 . . . . 72.200000000000003 110.428 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 418' ' ' MET . . . . . . . . . . . . . 11.5 tpt -93.79 112.01 23.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.211 0.529 . . . . 72.400000000000006 110.967 -177.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 419' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -61.07 -57.94 10.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.212 -0.904 . . . . 74.25 110.071 178.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -106.28 100.88 10.4 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.987 -0.746 . . . . 74.319999999999993 108.987 176.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . -68.45 82.92 0.2 Allowed Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 116.08 -0.509 . . . . 70.219999999999999 113.831 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 422' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -122.12 -176.41 3.34 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.465 -0.939 . . . . 73.299999999999997 108.465 175.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -114.1 149.93 42.77 Favored Pre-proline 0 C--N 1.321 -0.649 0 C-N-CA 120.868 -0.333 . . . . 74.420000000000002 110.991 -179.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -63.15 168.04 11.52 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.498 2.132 . . . . 75.209999999999994 110.251 176.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 20.5 tptm -75.19 107.26 7.17 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.907 -0.717 . . . . 73.209999999999994 109.727 -177.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 133.97 -25.02 3.57 Favored Glycine 0 N--CA 1.437 -1.235 0 N-CA-C 110.158 -1.177 . . . . 74.299999999999997 110.158 -178.321 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 427' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -100.8 152.14 20.85 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.115 -0.328 . . . . 72.140000000000001 110.115 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -145.69 159.13 43.6 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.223 -1.029 . . . . 75.540000000000006 108.223 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 11.5 p -108.87 138.06 37.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 118.441 0.564 . . . . 72.400000000000006 110.109 178.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 430' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -123.52 -157.57 0.76 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.817 -0.628 . . . . 72.239999999999995 111.091 -177.027 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -152.0 113.89 4.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.751 0.31 . . . . 72.140000000000001 110.617 -171.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -85.6 154.33 58.98 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.23 -0.441 . . . . 72.299999999999997 110.051 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.26 -24.8 43.77 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.145 2.563 . . . . 74.049999999999997 113.248 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -75.31 -5.69 46.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.547 -0.297 . . . . 74.450000000000003 111.503 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 88.22 22.96 39.19 Favored Glycine 0 C--N 1.33 0.241 0 N-CA-C 111.259 -0.736 . . . . 54.25 111.259 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 436' ' ' ARG . . . . . . . . . . . . . 10.8 mmm180 -112.52 125.85 29.32 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.266 -0.467 . . . . 74.049999999999997 110.671 -177.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -81.16 122.59 4.24 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.679 2.253 . . . . 71.530000000000001 112.429 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -118.13 146.79 43.91 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.634 -0.506 . . . . 75.140000000000001 109.634 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -92.6 137.91 31.96 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.221 -0.445 . . . . 73.540000000000006 110.746 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 440' ' ' ILE . . . . . 0.61 HG12 HG21 ' W' ' 447' ' ' THR . 49.2 mt -116.66 138.45 47.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.794 -0.639 . . . . 72.329999999999998 110.257 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 441' ' ' ASP . . . . . 0.482 ' HB3' HG21 ' W' ' 446' ' ' THR . 13.3 t70 -103.9 123.46 47.17 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.946 -0.57 . . . . 75.239999999999995 110.52 177.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -74.67 -17.34 60.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.168 -0.469 . . . . 71.430000000000007 111.89 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -76.89 -58.56 3.21 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.295 0.48 . . . . 75.209999999999994 112.295 -174.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 444' ' ' THR . . . . . 0.471 HG23 ' OD2' ' W' ' 441' ' ' ASP . 14.5 t -106.38 -1.05 23.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.82 0.343 . . . . 72.540000000000006 110.827 -178.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm 63.42 54.96 1.87 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.819 -0.628 . . . . 75.530000000000001 111.3 177.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 446' ' ' THR . . . . . 0.482 HG21 ' HB3' ' W' ' 441' ' ' ASP . 13.7 t -116.92 160.69 20.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.603 -0.726 . . . . 74.299999999999997 109.581 178.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 447' ' ' THR . . . . . 0.61 HG21 HG12 ' W' ' 440' ' ' ILE . 46.7 p -124.96 144.41 50.38 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.802 -0.444 . . . . 74.010000000000005 109.802 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 448' ' ' THR . . . . . 0.619 ' OG1' ' HG2' ' W' ' 450' ' ' GLU . 12.2 t -139.56 150.63 45.29 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.429 0.633 . . . . 74.409999999999997 112.105 -178.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 96.1 m95 -105.71 -6.12 19.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.978 -1.01 . . . . 74.150000000000006 110.186 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 450' ' ' GLU . . . . . 0.619 ' HG2' ' OG1' ' W' ' 448' ' ' THR . 13.8 pt-20 -98.18 163.0 12.92 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.44 -0.8 . . . . 72.200000000000003 109.762 -176.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -74.51 114.5 34.54 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.28 -0.418 . . . . 64.439999999999998 110.088 -176.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 452' ' ' PRO . . . . . 0.641 ' HG2' ' HD3' ' W' ' 453' ' ' ARG . 96.6 Cg_endo -77.61 -17.44 14.28 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.585 2.19 . . . . 63.539999999999999 112.532 -179.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 453' ' ' ARG . . . . . 0.641 ' HD3' ' HG2' ' W' ' 452' ' ' PRO . 0.0 OUTLIER -76.35 -30.27 57.55 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.592 -0.522 . . . . 75.120000000000005 109.592 179.515 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 80.8 mt -75.75 -24.8 56.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.798 -0.637 . . . . 74.319999999999993 110.202 177.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 455' ' ' LYS . . . . . 0.458 ' O ' ' HD3' ' W' ' 457' ' ' PRO . 0.0 OUTLIER -64.49 124.68 22.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.916 -0.584 . . . . 72.409999999999997 110.12 176.657 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' W' W ' 456' ' ' ILE . . . . . . . . . . . . . 5.5 tp -101.51 104.31 33.27 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-O 121.366 0.603 . . . . 74.239999999999995 110.967 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 457' ' ' PRO . . . . . 0.458 ' HD3' ' O ' ' W' ' 455' ' ' LYS . 4.4 Cg_endo -86.29 118.71 1.66 Allowed 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 123.236 2.624 . . . . 71.099999999999994 111.545 179.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 116.608 -0.269 . . . . 65.319999999999993 110.85 179.706 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 12.6 p . . . . . 0 C--O 1.234 0.245 0 CA-C-O 121.198 0.523 . . . . 74.150000000000006 111.324 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' P' P ' 639' ' ' ALA . . . . . . . . . . . . . . . -89.54 144.93 32.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.133 -0.485 . . . . 73.400000000000006 110.514 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -58.45 143.17 98.15 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.73 2.286 . . . . 73.349999999999994 111.786 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 641' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -63.06 137.03 59.59 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.717 2.278 . . . . 74.420000000000002 112.31 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 642' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.39 153.55 77.6 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.96 2.44 . . . . 73.219999999999999 112.404 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -70.27 149.33 47.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.85 -0.614 . . . . 75.420000000000002 111.462 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -57.23 -40.47 77.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.557 -0.747 . . . . 72.510000000000005 110.494 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -62.94 -29.35 70.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.619 -0.719 . . . . 64.209999999999994 112.844 -177.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 14.0 t -95.65 -18.66 20.35 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.793 -0.363 . . . . 64.209999999999994 111.851 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 647' ' ' LEU . . . . . . . . . . . . . 4.5 pp -91.81 -25.65 18.9 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.634 -0.426 . . . . 75.349999999999994 110.823 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.534 0 C-N-CA 120.833 -0.699 . . . . 73.040000000000006 112.365 178.946 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.747 0 N-CA-C 111.443 -0.663 . . . . 72.439999999999998 111.443 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 77.5 p -85.7 158.02 20.16 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.426 -0.583 . . . . 73.030000000000001 109.426 178.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 418' ' ' MET . . . . . . . . . . . . . 35.4 ttm -95.71 97.52 9.77 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.915 0.388 . . . . 74.439999999999998 110.601 -177.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 419' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -117.59 3.2 12.4 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.754 -0.832 . . . . 71.010000000000005 108.754 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -62.69 -57.59 10.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.018 -0.992 . . . . 61.130000000000003 111.674 -175.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . 128.5 -150.12 18.5 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.719 -0.753 . . . . 52.409999999999997 111.839 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 422' ' ' PHE . . . . . . . . . . . . . 33.2 t80 76.96 50.29 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 108.038 -1.097 . . . . 74.049999999999997 108.038 -179.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.66 150.77 97.67 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 114.195 -1.366 . . . . 75.230000000000004 110.902 -177.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 424' ' ' PRO . . . . . 0.668 ' HG2' ' CD1' ' W' ' 427' ' ' TRP . 33.7 Cg_endo -67.97 172.28 11.07 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.872 2.381 . . . . 64.450000000000003 112.428 178.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -49.33 126.51 13.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.414 -0.812 . . . . 75.140000000000001 112.427 -178.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 81.35 4.5 90.43 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.183 -0.917 . . . . 63.119999999999997 114.699 176.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 427' ' ' TRP . . . . . 0.668 ' CD1' ' HG2' ' W' ' 424' ' ' PRO . 63.2 m95 -101.36 124.93 47.83 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 118.296 1.048 . . . . 74.519999999999996 110.759 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -114.0 162.16 16.78 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.771 -0.825 . . . . 63.200000000000003 108.771 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 6.7 p -130.78 131.69 64.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 108.523 -0.917 . . . . 74.409999999999997 108.523 174.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 430' ' ' ARG . . . . . . . . . . . . . 44.4 ttt-85 -126.76 141.27 51.88 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.968 0.414 . . . . 72.340000000000003 110.621 -175.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -82.83 114.0 20.85 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.703 -0.851 . . . . 74.530000000000001 108.703 178.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 432' ' ' ALA . . . . . 0.45 ' HB3' ' CD1' ' W' ' 438' ' ' PHE . . . -74.72 153.0 87.25 Favored Pre-proline 0 C--N 1.326 -0.424 0 C-N-CA 120.719 -0.392 . . . . 72.120000000000005 110.274 -178.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -58.08 -20.55 46.37 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.012 2.474 . . . . 64.549999999999997 112.231 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 434' ' ' ASN . . . . . 0.437 HD21 ' N ' ' W' ' 434' ' ' ASN . 0.9 OUTLIER -78.88 -13.2 59.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 61.240000000000002 110.811 178.644 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 109.03 -25.77 17.54 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.965 -0.636 . . . . 72.340000000000003 112.707 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 436' ' ' ARG . . . . . 0.463 ' HB3' ' CZ3' ' W' ' 449' ' ' TRP . 1.8 mmm-85 -84.38 125.41 71.98 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-O 120.719 0.295 . . . . 73.519999999999996 111.228 -179.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -71.36 135.64 27.15 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.477 2.118 . . . . 71.010000000000005 111.485 174.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 438' ' ' PHE . . . . . 0.45 ' CD1' ' HB3' ' W' ' 432' ' ' ALA . 40.5 p90 -125.05 152.7 43.94 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.625 -0.509 . . . . 72.0 109.625 178.174 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -94.46 140.43 29.84 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.983 0.421 . . . . 75.25 111.099 -176.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 440' ' ' ILE . . . . . 0.738 HG12 HG21 ' W' ' 447' ' ' THR . 45.4 mt -122.94 115.17 45.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.707 -0.679 . . . . 72.120000000000005 110.011 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 441' ' ' ASP . . . . . 0.525 ' OD2' HG21 ' W' ' 444' ' ' THR . 22.1 t70 -88.77 116.41 27.02 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.054 0.454 . . . . 74.329999999999998 110.798 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -72.7 -14.06 61.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.555 -0.748 . . . . 75.530000000000001 112.19 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -76.38 -57.57 3.79 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.119 -0.232 . . . . 70.230000000000004 111.578 -176.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 444' ' ' THR . . . . . 0.525 HG21 ' OD2' ' W' ' 441' ' ' ASP . 13.9 t -101.51 -2.51 30.49 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 121.192 -0.203 . . . . 71.049999999999997 111.216 -178.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 14.0 mptt 65.67 66.33 0.52 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.118 -0.492 . . . . 75.540000000000006 111.519 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 446' ' ' THR . . . . . 0.4 HG22 ' HB3' ' W' ' 441' ' ' ASP . 14.8 t -136.72 151.65 49.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.846 0.355 . . . . 74.099999999999994 111.08 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 447' ' ' THR . . . . . 0.738 HG21 HG12 ' W' ' 440' ' ' ILE . 23.2 p -117.83 129.33 55.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.894 -0.593 . . . . 54.43 109.493 177.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 14.7 t -140.55 161.32 38.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.132 0.491 . . . . 72.230000000000004 112.2 -176.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 449' ' ' TRP . . . . . 0.594 ' CZ2' ' HD3' ' P' ' 641' ' ' PRO . 97.8 m95 -99.17 -6.67 27.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.624 -0.716 . . . . 74.409999999999997 111.209 -178.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -103.94 129.37 51.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.894 -0.594 . . . . 75.150000000000006 111.385 -174.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -67.15 132.53 93.56 Favored Pre-proline 0 C--O 1.237 0.438 0 CA-C-O 121.191 0.52 . . . . 72.230000000000004 111.769 175.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 452' ' ' PRO . . . . . 0.842 ' HB2' ' HG3' ' W' ' 457' ' ' PRO . 44.0 Cg_endo -96.56 17.25 0.67 Allowed 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 124.093 3.195 . . . . 62.109999999999999 113.348 179.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 453' ' ' ARG . . . . . 0.462 ' HE ' ' HA ' ' W' ' 453' ' ' ARG . 2.1 mmp_? -93.37 -39.63 10.83 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.844 0.354 . . . . 74.329999999999998 110.476 178.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 3.4 pp -84.07 -1.97 55.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 71.239999999999995 111.376 -179.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -147.94 170.86 16.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.822 -0.626 . . . . 74.450000000000003 109.846 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 456' ' ' ILE . . . . . . . . . . . . . 45.8 mm -87.24 118.3 69.76 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.055 -0.72 . . . . 75.409999999999997 109.055 177.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 457' ' ' PRO . . . . . 0.842 ' HG3' ' HB2' ' W' ' 452' ' ' PRO . 51.5 Cg_exo -52.22 115.42 2.17 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 123.3 2.667 . . . . 73.319999999999993 113.215 -177.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 116.083 -0.508 . . . . 74.230000000000004 110.837 179.275 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 9.5 m . . . . . 0 C--O 1.236 0.344 0 CA-C-O 121.047 0.451 . . . . 72.140000000000001 110.972 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' P' P ' 639' ' ' ALA . . . . . 0.405 ' HA ' ' HD3' ' P' ' 640' ' ' PRO . . . -103.52 139.59 20.26 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.044 -0.526 . . . . 63.340000000000003 110.56 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 640' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' P' ' 639' ' ' ALA . 32.9 Cg_exo -61.17 138.65 79.11 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.649 2.233 . . . . 64.319999999999993 111.513 178.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 641' ' ' PRO . . . . . 0.594 ' HD3' ' CZ2' ' W' ' 449' ' ' TRP . 57.2 Cg_endo -70.54 145.41 52.59 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.429 2.086 . . . . 71.010000000000005 111.838 -178.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 642' ' ' PRO . . . . . 0.725 ' HG2' HD21 ' P' ' 647' ' ' LEU . 20.8 Cg_endo -62.45 170.11 7.23 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.842 2.361 . . . . 62.009999999999998 112.228 179.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -70.58 151.05 45.44 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.039 -0.528 . . . . 64.010000000000005 111.189 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 644' ' ' TYR . . . . . 0.437 ' HA ' HD12 ' P' ' 647' ' ' LEU . 86.7 t80 -59.78 -24.27 63.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.984 -0.553 . . . . 73.439999999999998 111.095 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -69.17 -18.53 63.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.887 -0.597 . . . . 75.400000000000006 112.185 -177.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 15.1 t -114.64 -0.5 13.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.553 0.692 . . . . 74.140000000000001 110.216 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' P' P ' 647' ' ' LEU . . . . . 0.725 HD21 ' HG2' ' P' ' 642' ' ' PRO . 63.9 mt -85.26 -6.86 59.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.676 -0.693 . . . . 74.329999999999998 111.051 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.877 -0.678 . . . . 62.119999999999997 111.937 179.81 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.821 0 N-CA-C 112.155 -0.378 . . . . 73.120000000000005 112.155 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 12.8 p -135.75 178.63 6.89 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.254 -0.276 . . . . 72.319999999999993 110.254 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 418' ' ' MET . . . . . . . . . . . . . 96.8 mmm -105.04 149.36 25.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.276 0.56 . . . . 75.400000000000006 111.307 -178.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 419' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -86.72 41.61 0.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.26 -0.882 . . . . 75.439999999999998 111.044 -179.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -131.67 107.4 8.78 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.15 -0.685 . . . . 74.129999999999995 109.15 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . -84.13 17.64 26.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.941 -0.647 . . . . 52.43 113.687 -176.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 422' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -115.47 143.55 45.15 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.885 0.374 . . . . 74.420000000000002 110.374 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.41 141.03 34.23 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.097 -0.501 . . . . 74.319999999999993 110.816 -178.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 424' ' ' PRO . . . . . 0.512 ' HG2' ' CD1' ' W' ' 427' ' ' TRP . 28.8 Cg_endo -63.16 172.46 5.07 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 123.341 2.694 . . . . 74.099999999999994 113.153 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -43.18 119.8 1.66 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.096 -0.956 . . . . 73.310000000000002 113.033 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 83.75 -5.27 79.43 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 114.695 0.638 . . . . 24.43 114.695 175.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 427' ' ' TRP . . . . . 0.512 ' CD1' ' HG2' ' W' ' 424' ' ' PRO . 88.3 m95 -96.43 135.02 38.87 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 118.108 0.954 . . . . 74.099999999999994 111.057 -178.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -128.01 165.22 20.7 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.933 -1.136 . . . . 74.239999999999995 107.933 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 7.8 p -127.88 134.57 65.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 118.838 0.745 . . . . 73.519999999999996 110.35 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 430' ' ' ARG . . . . . 0.531 ' HB3' ' CE1' ' W' ' 438' ' ' PHE . 15.3 tpt180 -112.25 -154.28 0.54 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.441 -0.8 . . . . 74.349999999999994 110.153 -177.206 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 431' ' ' HIS . . . . . 0.436 ' H ' ' HG3' ' W' ' 430' ' ' ARG . 27.8 t-80 -152.19 115.2 4.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.756 0.313 . . . . 74.519999999999996 110.268 -169.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 432' ' ' ALA . . . . . 0.466 ' HB1' ' HD2' ' W' ' 433' ' ' PRO . . . -84.93 158.34 59.06 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.218 -0.446 . . . . 75.109999999999999 110.217 178.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 433' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' W' ' 432' ' ' ALA . 22.8 Cg_endo -60.76 -15.26 36.57 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.257 2.638 . . . . 71.540000000000006 113.279 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -90.58 1.83 56.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.96 0.41 . . . . 73.439999999999998 110.36 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 83.03 16.91 68.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.004 -0.617 . . . . 73.120000000000005 111.592 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 436' ' ' ARG . . . . . . . . . . . . . 36.6 mmm-85 -101.06 131.35 23.37 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.53 -0.335 . . . . 75.549999999999997 110.572 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -83.71 130.39 5.1 Favored 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 122.332 2.021 . . . . 71.010000000000005 112.123 178.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 438' ' ' PHE . . . . . 0.531 ' CE1' ' HB3' ' W' ' 430' ' ' ARG . 38.3 p90 -120.86 150.94 40.27 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.354 -0.61 . . . . 75.230000000000004 109.354 175.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -98.34 140.39 32.68 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.268 0.556 . . . . 74.430000000000007 111.568 -174.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 440' ' ' ILE . . . . . 0.633 HG12 HG21 ' W' ' 447' ' ' THR . 34.6 mt -119.71 123.09 70.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.595 -0.729 . . . . 74.420000000000002 109.726 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 441' ' ' ASP . . . . . 0.505 ' OD2' HG23 ' W' ' 444' ' ' THR . 15.4 t70 -94.82 121.26 36.24 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.112 0.482 . . . . 73.099999999999994 110.988 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -77.9 -16.3 58.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.78 -0.645 . . . . 74.340000000000003 111.369 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -72.54 -57.5 4.11 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.179 0.437 . . . . 62.009999999999998 112.179 -175.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 444' ' ' THR . . . . . 0.505 HG23 ' OD2' ' W' ' 441' ' ' ASP . 15.0 t -103.9 10.13 36.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.882 0.372 . . . . 74.219999999999999 111.218 -177.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? 60.02 54.95 3.95 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.013 -0.539 . . . . 71.549999999999997 111.106 177.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 7.2 t -135.97 163.95 29.11 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.257 -0.577 . . . . 73.129999999999995 111.395 -178.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 447' ' ' THR . . . . . 0.633 HG21 HG12 ' W' ' 440' ' ' ILE . 7.5 m -128.54 140.8 51.61 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.282 -0.636 . . . . 72.25 109.282 177.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 9.6 t -151.48 166.87 29.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.28 0.562 . . . . 73.040000000000006 111.866 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -99.35 -7.07 26.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.439 -0.801 . . . . 75.510000000000005 109.81 178.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -76.91 149.98 36.01 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.365 -0.834 . . . . 65.430000000000007 111.236 -177.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -98.85 112.41 62.75 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-N 115.265 -0.88 . . . . 74.299999999999997 110.373 -177.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.3 -7.06 19.27 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.826 2.351 . . . . 74.420000000000002 113.598 -177.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 453' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -83.26 -43.06 16.48 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.081 -0.387 . . . . 73.439999999999998 111.955 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 2.7 pp -89.81 -10.05 46.91 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.447 0.536 . . . . 75.040000000000006 112.447 -175.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -145.74 165.8 27.72 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.124 -0.324 . . . . 70.219999999999999 110.124 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 456' ' ' ILE . . . . . 0.591 HD11 ' HD2' ' W' ' 457' ' ' PRO . 6.1 tp -94.06 125.28 53.35 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.641 -0.503 . . . . 72.409999999999997 109.641 178.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 457' ' ' PRO . . . . . 0.591 ' HD2' HD11 ' W' ' 456' ' ' ILE . 31.6 Cg_exo -60.0 172.05 2.59 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.98 2.454 . . . . 74.420000000000002 112.809 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.613 0 CA-C-N 115.594 -0.73 . . . . 62.420000000000002 110.627 -178.774 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 7.7 m . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.746 0.308 . . . . 71.109999999999999 111.086 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' P' P ' 639' ' ' ALA . . . . . . . . . . . . . . . -119.55 144.91 37.78 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.129 -0.487 . . . . 72.230000000000004 109.837 177.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.39 133.13 54.66 Favored 'Trans proline' 0 C--O 1.237 0.437 0 C-N-CA 122.613 2.208 . . . . 70.519999999999996 112.216 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 641' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.23 153.01 40.42 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.796 2.331 . . . . 74.329999999999998 112.678 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 642' ' ' PRO . . . . . 0.575 ' HG2' ' HB3' ' P' ' 647' ' ' LEU . 59.4 Cg_endo -72.26 171.36 17.06 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.771 2.314 . . . . 72.200000000000003 112.205 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 643' ' ' ALA . . . . . 0.468 ' HB3' ' OG1' ' P' ' 646' ' ' THR . . . -68.81 156.6 38.09 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.209 -0.451 . . . . 73.549999999999997 110.484 178.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -58.63 -47.75 83.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.201 -0.454 . . . . 74.510000000000005 111.687 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -72.15 -19.52 61.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.278 0.561 . . . . 73.340000000000003 110.368 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' P' P ' 646' ' ' THR . . . . . 0.468 ' OG1' ' HB3' ' P' ' 643' ' ' ALA . 86.0 m -81.24 -40.41 23.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.364 -0.834 . . . . 71.439999999999998 111.185 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 647' ' ' LEU . . . . . 0.575 ' HB3' ' HG2' ' P' ' 642' ' ' PRO . 4.5 pp -80.38 -20.99 42.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.282 -0.417 . . . . 74.109999999999999 111.167 -178.558 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.768 -0.73 . . . . 62.229999999999997 112.359 179.663 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 111.666 -0.573 . . . . 74.430000000000007 111.666 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 23.1 m -114.72 149.24 37.14 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.019 0.438 . . . . 70.030000000000001 110.942 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 418' ' ' MET . . . . . . . . . . . . . 11.7 tpt -127.12 101.15 6.4 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.135 -0.691 . . . . 61.130000000000003 109.135 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 419' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -80.26 32.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.646 0.61 . . . . 73.420000000000002 112.646 -175.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 12.5 tm0? -65.94 -64.15 0.92 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.84 -0.8 . . . . 74.230000000000004 108.84 176.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . 130.15 -51.79 0.85 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.615 -0.803 . . . . 65.430000000000007 113.392 176.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 422' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -125.96 -172.59 2.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.773 0.32 . . . . 74.109999999999999 111.255 -176.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 423' ' ' LEU . . . . . 0.516 HD13 ' HD3' ' W' ' 453' ' ' ARG . 2.9 mm? -92.74 151.15 40.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.164 -0.471 . . . . 73.25 110.225 -178.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 424' ' ' PRO . . . . . 0.459 ' HB2' ' CD1' ' W' ' 427' ' ' TRP . 35.8 Cg_exo -57.95 156.07 30.42 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.585 2.19 . . . . 74.409999999999997 111.008 177.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -76.35 108.52 9.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.248 0.546 . . . . 74.299999999999997 110.54 -176.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 130.1 -20.27 5.07 Favored Glycine 0 N--CA 1.444 -0.8 0 N-CA-C 111.005 -0.838 . . . . 72.140000000000001 111.005 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 427' ' ' TRP . . . . . 0.459 ' CD1' ' HB2' ' W' ' 424' ' ' PRO . 70.8 m95 -100.63 118.94 37.79 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.931 -0.396 . . . . 75.129999999999995 109.931 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -119.4 149.69 41.42 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.18 -0.674 . . . . 74.319999999999993 109.18 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 14.0 p -103.94 135.79 40.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-O 121.738 0.78 . . . . 72.209999999999994 111.889 -177.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 430' ' ' ARG . . . . . 0.533 ' HE ' ' HA ' ' W' ' 430' ' ' ARG . 0.6 OUTLIER -117.27 -156.13 0.62 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.856 -1.065 . . . . 74.129999999999995 110.427 -178.618 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -152.53 108.01 3.29 Favored 'General case' 0 CA--C 1.52 -0.183 0 O-C-N 122.1 -0.375 . . . . 72.25 110.592 -170.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -77.49 152.19 80.93 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 110.003 -0.369 . . . . 74.129999999999995 110.003 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.75 -25.29 41.83 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.966 2.444 . . . . 73.109999999999999 112.858 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 434' ' ' ASN . . . . . 0.642 HD22 ' N ' ' P' ' 638' ' ' THR . 3.2 m-20 -72.52 -4.49 30.87 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.391 -0.368 . . . . 74.430000000000007 111.698 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 84.49 23.0 52.47 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.784 -0.722 . . . . 75.239999999999995 111.583 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 436' ' ' ARG . . . . . 0.542 ' HD3' ' HD2' ' W' ' 437' ' ' PRO . 0.4 OUTLIER -117.79 122.31 30.8 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.466 -0.568 . . . . 75.230000000000004 109.466 -178.099 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' W' W ' 437' ' ' PRO . . . . . 0.542 ' HD2' ' HD3' ' W' ' 436' ' ' ARG . 3.7 Cg_exo -75.48 142.12 26.07 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.86 2.374 . . . . 65.540000000000006 111.978 178.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 438' ' ' PHE . . . . . 0.554 ' CE1' HD12 ' W' ' 440' ' ' ILE . 51.7 p90 -133.1 155.8 48.58 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.956 -0.387 . . . . 72.5 109.956 176.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -99.71 143.56 29.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.254 0.55 . . . . 75.450000000000003 111.273 -177.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 440' ' ' ILE . . . . . 0.575 HG13 HG23 ' W' ' 447' ' ' THR . 3.6 mp -120.04 127.53 75.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.387 -0.824 . . . . 73.129999999999995 110.423 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 441' ' ' ASP . . . . . 0.484 ' OD2' HG22 ' W' ' 444' ' ' THR . 19.9 t70 -91.53 112.33 24.2 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.193 -0.912 . . . . 73.230000000000004 109.565 177.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -79.85 -6.3 57.12 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.84 -0.618 . . . . 74.340000000000003 111.194 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -76.24 -57.13 4.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 74.109999999999999 111.304 -177.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 444' ' ' THR . . . . . 0.484 HG22 ' OD2' ' W' ' 441' ' ' ASP . 14.0 t -109.29 5.35 23.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.572 0.225 . . . . 75.040000000000006 111.415 -179.141 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp 66.62 66.47 0.45 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.085 -0.507 . . . . 74.450000000000003 111.948 176.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 15.2 t -141.95 154.92 45.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.86 0.362 . . . . 74.439999999999998 111.285 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 447' ' ' THR . . . . . 0.575 HG23 HG13 ' W' ' 440' ' ' ILE . 68.4 p -112.16 141.27 46.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.006 -0.543 . . . . 73.109999999999999 109.881 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 14.8 t -148.93 163.8 36.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.165 0.507 . . . . 73.150000000000006 111.588 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 449' ' ' TRP . . . . . 0.742 ' HZ2' ' HD3' ' P' ' 641' ' ' PRO . 82.9 m95 -105.33 -4.93 20.96 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.638 -0.71 . . . . 74.140000000000001 110.798 -178.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -86.53 155.08 20.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.806 -0.634 . . . . 73.019999999999996 110.786 -175.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 451' ' ' ASP . . . . . 0.506 ' HB3' ' HG ' ' W' ' 454' ' ' LEU . 11.1 t0 -98.19 116.45 65.57 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 109.204 -0.665 . . . . 74.340000000000003 109.204 -179.449 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.27 -14.19 37.21 Favored 'Trans proline' 0 CA--C 1.53 0.302 0 C-N-CA 122.61 2.206 . . . . 74.549999999999997 114.14 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 453' ' ' ARG . . . . . 0.516 ' HD3' HD13 ' W' ' 423' ' ' LEU . 82.8 mtm180 -80.86 -38.95 27.26 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.145 0.424 . . . . 71.439999999999998 112.145 -178.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 454' ' ' LEU . . . . . 0.506 ' HG ' ' HB3' ' W' ' 451' ' ' ASP . 3.7 pp -79.07 -3.71 46.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.222 0.534 . . . . 75.420000000000002 111.165 -178.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 51.0 mtpt -103.09 138.33 40.08 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.862 -0.792 . . . . 75.540000000000006 108.862 175.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 456' ' ' ILE . . . . . . . . . . . . . 3.6 mp -115.86 103.6 53.43 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-O 121.176 0.512 . . . . 73.5 110.1 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 457' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -73.39 119.16 5.83 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.812 2.341 . . . . 72.409999999999997 110.529 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.552 0 N-CA-C 110.194 -0.299 . . . . 71.329999999999998 110.194 -177.302 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' P' P ' 638' ' ' THR . . . . . 0.642 ' N ' HD22 ' W' ' 434' ' ' ASN . 14.3 p . . . . . 0 N--CA 1.455 -0.205 0 CA-C-O 120.993 0.425 . . . . 73.200000000000003 111.175 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 639' ' ' ALA . . . . . . . . . . . . . . . -123.86 112.78 28.71 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.214 -0.448 . . . . 75.340000000000003 110.968 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -67.16 169.53 15.02 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 123.003 2.469 . . . . 74.010000000000005 111.725 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 641' ' ' PRO . . . . . 0.742 ' HD3' ' HZ2' ' W' ' 449' ' ' TRP . 36.5 Cg_endo -64.98 130.76 26.73 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.204 1.936 . . . . 74.450000000000003 111.741 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 642' ' ' PRO . . . . . 0.415 ' HD2' ' HZ ' ' W' ' 438' ' ' PHE . 23.9 Cg_exo -63.93 169.68 10.0 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 123.36 2.707 . . . . 61.310000000000002 113.425 -178.204 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -74.05 157.1 36.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.611 -0.722 . . . . 73.299999999999997 110.769 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -55.78 -42.66 75.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.923 -0.581 . . . . 75.219999999999999 112.112 -176.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -67.37 -24.1 65.66 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.929 0.714 . . . . 73.010000000000005 112.929 -176.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 13.1 t -102.93 -17.06 15.66 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.393 -0.523 . . . . 73.409999999999997 112.216 -177.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 647' ' ' LEU . . . . . . . . . . . . . 3.9 pp -90.65 -5.21 56.11 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 121.929 -0.482 . . . . 64.099999999999994 111.358 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.295 0 C-N-CA 120.841 -0.695 . . . . 72.430000000000007 112.545 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.805 0 N-CA-C 112.052 -0.419 . . . . 70.049999999999997 112.052 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 53.7 m -79.06 95.6 5.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.061 0.458 . . . . 63.32 110.363 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 418' ' ' MET . . . . . 0.419 ' HG2' ' CG ' ' W' ' 451' ' ' ASP . 0.4 OUTLIER -65.01 -40.96 95.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.654 -0.703 . . . . 71.540000000000006 110.43 178.458 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' W' W ' 419' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 51.33 65.46 1.48 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.528 -0.76 . . . . 72.109999999999999 111.723 175.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -160.88 153.17 20.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.318 -0.401 . . . . 73.319999999999993 110.278 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . -116.01 32.15 5.76 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.532 -0.842 . . . . 62.100000000000001 112.427 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 422' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -117.79 115.95 26.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.305 0.574 . . . . 75.430000000000007 110.01 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 423' ' ' LEU . . . . . 0.512 ' HB3' ' HB2' ' W' ' 427' ' ' TRP . 2.8 mm? -107.79 163.38 17.08 Favored Pre-proline 0 C--N 1.318 -0.789 0 CA-C-N 115.351 -0.84 . . . . 72.430000000000007 111.157 -177.016 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.96 164.91 11.19 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.867 2.378 . . . . 74.140000000000001 111.864 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -58.27 106.98 0.43 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.736 0.779 . . . . 74.209999999999994 112.185 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 111.68 -3.7 27.64 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.489 -0.778 . . . . 75.209999999999994 111.709 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 427' ' ' TRP . . . . . 0.512 ' HB2' ' HB3' ' W' ' 423' ' ' LEU . 46.0 m95 -101.78 123.5 45.84 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.838 -0.43 . . . . 75.510000000000005 109.838 178.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -114.49 155.49 26.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.373 -0.376 . . . . 74.319999999999993 109.99 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 5.8 p -107.19 133.46 51.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.563 0.697 . . . . 74.530000000000001 110.618 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 430' ' ' ARG . . . . . 0.419 ' HD2' ' HA ' ' W' ' 430' ' ' ARG . 0.9 OUTLIER -114.29 -155.06 0.56 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.378 -0.828 . . . . 74.319999999999993 111.508 -176.614 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -152.68 108.42 3.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.952 -0.567 . . . . 73.340000000000003 109.857 -172.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -87.51 150.31 48.48 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.23 -0.441 . . . . 70.230000000000004 110.393 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.67 -31.62 51.07 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.3 2.667 . . . . 70.340000000000003 113.488 -178.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -68.38 -14.44 63.0 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 111.882 0.327 . . . . 70.299999999999997 111.882 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 99.49 22.97 11.58 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.61 -0.805 . . . . 61.420000000000002 112.469 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 436' ' ' ARG . . . . . 0.432 ' HA ' ' HD3' ' W' ' 437' ' ' PRO . 26.8 mmm180 -114.82 133.29 22.62 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 120.563 0.22 . . . . 75.400000000000006 110.484 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 437' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' W' ' 436' ' ' ARG . 5.2 Cg_endo -84.97 98.88 0.69 Allowed 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.762 2.308 . . . . 72.239999999999995 111.985 178.318 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -88.84 143.18 27.06 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.045 -0.354 . . . . 74.540000000000006 110.045 179.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -90.39 152.05 21.16 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.155 -0.475 . . . . 74.319999999999993 110.95 -178.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 440' ' ' ILE . . . . . 0.769 HG12 HG22 ' W' ' 447' ' ' THR . 47.1 mt -127.08 124.04 63.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.752 -0.658 . . . . 72.140000000000001 110.769 -178.074 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 441' ' ' ASP . . . . . 0.446 ' OD2' HG21 ' W' ' 444' ' ' THR . 8.7 t70 -90.91 116.59 28.85 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.018 -0.537 . . . . 74.549999999999997 109.988 178.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -76.06 -13.12 60.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.403 -0.362 . . . . 74.310000000000002 111.923 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -69.59 -56.53 7.06 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.758 0.281 . . . . 75.310000000000002 111.758 -177.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 444' ' ' THR . . . . . 0.446 HG21 ' OD2' ' W' ' 441' ' ' ASP . 14.2 t -111.51 6.69 20.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.954 0.407 . . . . 72.420000000000002 110.735 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 445' ' ' LYS . . . . . 0.451 ' HE2' ' HB2' ' W' ' 445' ' ' LYS . 3.7 mppt? 57.43 64.66 1.53 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.463 -0.789 . . . . 74.299999999999997 111.309 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 446' ' ' THR . . . . . 0.441 HG22 ' HB3' ' W' ' 441' ' ' ASP . 14.6 t -129.88 150.22 51.26 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.938 -0.573 . . . . 74.400000000000006 109.93 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 447' ' ' THR . . . . . 0.769 HG22 HG12 ' W' ' 440' ' ' ILE . 8.1 p -110.45 140.72 44.43 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.555 -0.293 . . . . 75.430000000000007 110.315 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 11.3 t -136.8 142.73 42.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.412 0.625 . . . . 63.310000000000002 111.626 -178.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -96.98 -7.4 33.16 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.494 -0.775 . . . . 74.530000000000001 109.254 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -90.46 154.47 19.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.237 -1.347 . . . . 73.030000000000001 109.67 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 451' ' ' ASP . . . . . 0.419 ' CG ' ' HG2' ' W' ' 418' ' ' MET . 21.3 t70 -91.86 124.62 59.81 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.351 . . . . 71.040000000000006 111.154 -178.396 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -84.04 -7.6 10.17 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.784 2.323 . . . . 64.140000000000001 113.502 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 453' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -77.74 -48.73 15.93 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.604 0.594 . . . . 72.230000000000004 112.604 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 4.5 pp -77.99 -14.9 59.36 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.06 0.393 . . . . 61.549999999999997 112.06 -176.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -147.34 143.51 28.08 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.465 -0.569 . . . . 75.349999999999994 109.465 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 456' ' ' ILE . . . . . . . . . . . . . 4.3 mp -129.97 115.92 17.86 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 109.66 -0.496 . . . . 73.010000000000005 109.66 -176.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 457' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.76 138.71 45.77 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.396 2.064 . . . . 71.340000000000003 111.61 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.594 -0.276 . . . . 74.239999999999995 110.515 -178.743 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 12.0 m . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 121.053 0.454 . . . . 75.439999999999998 110.797 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' P' P ' 639' ' ' ALA . . . . . . . . . . . . . . . -120.22 139.39 28.43 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.965 -0.561 . . . . 75.319999999999993 109.49 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_endo -57.82 132.56 50.61 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.3 2.0 . . . . 74.25 111.884 -179.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 641' ' ' PRO . . . . . 0.458 ' HA ' ' HD3' ' P' ' 642' ' ' PRO . 72.7 Cg_endo -87.07 152.46 8.28 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 122.847 2.364 . . . . 75.230000000000004 112.329 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 642' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' P' ' 641' ' ' PRO . 12.6 Cg_exo -71.33 167.54 25.97 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.187 2.591 . . . . 73.510000000000005 112.401 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -76.2 171.56 14.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 64.340000000000003 111.41 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -63.49 -47.36 82.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.689 -0.687 . . . . 74.129999999999995 111.675 -176.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -71.84 -17.05 62.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.381 0.61 . . . . 70.049999999999997 110.323 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 42.1 m -78.38 -33.26 48.98 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.299 -0.864 . . . . 74.010000000000005 110.345 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 647' ' ' LEU . . . . . . . . . . . . . 4.3 pp -97.62 -17.55 19.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.942 -0.572 . . . . 74.530000000000001 111.627 -177.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.756 -0.735 . . . . 70.5 112.582 179.34 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.569 0 N-CA-C 111.795 -0.522 . . . . 74.310000000000002 111.795 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 19.3 m -88.92 158.67 17.99 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.963 0.411 . . . . 73.010000000000005 110.561 -178.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 418' ' ' MET . . . . . 0.904 ' HB3' ' HB3' ' W' ' 453' ' ' ARG . 2.0 mpt? -79.91 76.94 6.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.043 -0.526 . . . . 72.239999999999995 109.774 179.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 419' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -90.19 -171.44 3.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.75 -0.659 . . . . 74.109999999999999 111.936 -177.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -86.68 61.98 7.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.55 0.69 . . . . 74.019999999999996 110.191 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . -168.31 -14.68 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.433 -0.803 . . . . 74.319999999999993 112.085 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 422' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -113.57 57.54 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.193 -0.669 . . . . 75.340000000000003 109.193 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.43 156.26 91.75 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.287 -0.87 . . . . 74.239999999999995 111.241 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -63.39 155.74 60.39 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.425 2.083 . . . . 75.319999999999993 110.633 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -66.94 107.91 2.4 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.011 0.434 . . . . 72.430000000000007 110.782 -175.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 126.9 -10.44 7.05 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.838 -0.696 . . . . 72.409999999999997 111.939 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 427' ' ' TRP . . . . . . . . . . . . . 48.3 m95 -85.85 170.82 12.03 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.116 0.484 . . . . 74.129999999999995 111.567 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 428' ' ' GLU . . . . . 0.659 ' HB3' ' HB ' ' W' ' 440' ' ' ILE . 11.0 tp10 -148.52 140.37 23.79 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.343 -0.984 . . . . 74.25 108.343 -175.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 64.6 t -103.19 135.55 40.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.129 -0.693 . . . . 75.439999999999998 109.129 177.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 430' ' ' ARG . . . . . 0.462 ' NE ' ' HA ' ' W' ' 430' ' ' ARG . 0.2 OUTLIER -127.93 -161.33 1.08 Allowed 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.837 -0.345 . . . . 74.430000000000007 110.379 -179.056 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' W' W ' 431' ' ' HIS . . . . . 0.435 ' HA ' ' HA ' ' W' ' 437' ' ' PRO . 42.7 m80 -155.97 131.52 9.61 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.171 -0.307 . . . . 75.299999999999997 110.171 -170.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -94.95 150.07 37.22 Favored Pre-proline 0 C--N 1.318 -0.79 0 N-CA-C 108.705 -0.85 . . . . 71.150000000000006 108.705 174.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -57.47 -16.43 23.48 Favored 'Trans proline' 0 N--CA 1.473 0.323 0 C-N-CA 122.96 2.44 . . . . 75.239999999999995 112.774 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -82.18 -9.16 59.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 73.109999999999999 111.181 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 105.57 -16.74 44.0 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.813 -0.708 . . . . 65.109999999999999 112.862 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 436' ' ' ARG . . . . . . . . . . . . . 18.9 mmm180 -82.88 122.88 78.28 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-O 120.843 0.354 . . . . 74.450000000000003 111.292 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 437' ' ' PRO . . . . . 0.435 ' HA ' ' HA ' ' W' ' 431' ' ' HIS . 3.6 Cg_exo -81.12 141.05 12.77 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 123.255 2.637 . . . . 71.209999999999994 112.027 178.244 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -124.82 162.05 25.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.887 -0.412 . . . . 72.319999999999993 109.887 177.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -105.39 146.94 28.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.18 -0.463 . . . . 74.310000000000002 111.335 -175.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 440' ' ' ILE . . . . . 0.875 HG12 HG22 ' W' ' 447' ' ' THR . 49.1 mt -127.21 146.87 32.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.401 -0.818 . . . . 73.430000000000007 109.949 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 441' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -114.88 124.24 51.22 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.211 -0.292 . . . . 72.409999999999997 110.211 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 442' ' ' HIS . . . . . 0.537 ' NE2' ' HB2' ' W' ' 428' ' ' GLU . 57.4 m170 -72.8 -21.89 60.91 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.288 0.477 . . . . 75.219999999999999 112.288 -178.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -72.02 -58.11 3.72 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.244 0.461 . . . . 70.049999999999997 112.244 -173.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 444' ' ' THR . . . . . . . . . . . . . 14.9 t -101.57 -4.67 26.25 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 121.126 -0.23 . . . . 72.129999999999995 111.186 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm 65.29 64.63 0.6 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.967 -0.56 . . . . 73.340000000000003 111.172 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 15.1 t -132.47 156.96 45.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.259 -0.428 . . . . 64.109999999999999 110.913 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 447' ' ' THR . . . . . 0.875 HG22 HG12 ' W' ' 440' ' ' ILE . 32.1 p -120.92 145.28 47.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.999 -0.546 . . . . 63.530000000000001 109.781 178.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 9.9 t -146.94 154.16 40.95 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.238 0.542 . . . . 73.109999999999999 111.949 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -99.57 -7.98 25.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.293 -0.867 . . . . 75.519999999999996 109.44 176.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -86.2 146.88 26.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.381 -0.827 . . . . 72.450000000000003 109.365 -177.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -85.55 118.66 71.1 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.503 -0.317 . . . . 71.430000000000007 110.376 -175.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.93 -12.3 26.03 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.795 2.33 . . . . 73.329999999999998 113.418 -177.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 453' ' ' ARG . . . . . 0.904 ' HB3' ' HB3' ' W' ' 418' ' ' MET . 4.7 mmp_? -92.33 -36.03 13.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.998 -0.439 . . . . 75.140000000000001 111.728 177.321 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 91.0 mt -79.4 -29.27 41.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.442 0.639 . . . . 71.319999999999993 109.861 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -106.72 127.77 53.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.193 -0.912 . . . . 74.109999999999999 108.79 177.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 456' ' ' ILE . . . . . . . . . . . . . 23.1 pt -145.98 146.81 29.85 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 120.52 0.2 . . . . 75.25 110.489 -173.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 457' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.72 123.94 8.89 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.832 2.355 . . . . 73.540000000000006 111.513 178.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.614 0 CA-C-N 116.502 -0.317 . . . . 72.150000000000006 110.868 -178.94 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 25.0 m . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.782 0.325 . . . . 75.310000000000002 110.518 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' P' P ' 639' ' ' ALA . . . . . . . . . . . . . . . -100.7 138.22 20.04 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.171 -0.468 . . . . 62.229999999999997 111.053 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.95 146.77 92.72 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.859 2.373 . . . . 74.310000000000002 112.343 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 641' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -72.66 127.52 12.48 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.285 1.99 . . . . 74.420000000000002 112.277 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 642' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_endo -61.89 153.42 68.42 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.692 2.261 . . . . 72.510000000000005 111.997 179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 643' ' ' ALA . . . . . 0.546 ' O ' HG23 ' P' ' 646' ' ' THR . . . -64.98 143.23 58.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.173 -0.467 . . . . 64.019999999999996 111.208 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -63.2 -29.67 70.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.251 -0.432 . . . . 73.340000000000003 110.646 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -71.79 -12.78 61.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.959 -0.564 . . . . 70.230000000000004 112.477 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' P' P ' 646' ' ' THR . . . . . 0.546 HG23 ' O ' ' P' ' 643' ' ' ALA . 14.4 t -108.77 -12.85 14.87 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.479 -0.488 . . . . 75.319999999999993 111.18 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 647' ' ' LEU . . . . . 0.439 HD23 ' HG2' ' W' ' 430' ' ' ARG . 4.5 pp -104.49 -17.94 14.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.992 0.425 . . . . 71.340000000000003 110.894 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.422 0 C-N-CA 121.039 -0.601 . . . . 71.049999999999997 111.961 179.283 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.921 0 N-CA-C 112.115 -0.394 . . . . 75.030000000000001 112.115 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 14.8 m 58.31 27.83 15.83 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.717 0.407 . . . . 71.230000000000004 111.598 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 418' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 63.81 23.71 13.51 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.112 -0.495 . . . . 72.519999999999996 112.176 -179.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 419' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -89.46 8.53 30.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 122.209 1.004 . . . . 75.409999999999997 108.627 177.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -112.79 118.15 34.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.497 -1.229 . . . . 74.549999999999997 109.139 179.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . -67.56 81.42 0.16 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 121.318 -0.467 . . . . 71.230000000000004 113.208 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 422' ' ' PHE . . . . . 0.614 ' O ' ' HD2' ' W' ' 453' ' ' ARG . 67.6 t80 -115.6 111.52 20.79 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.863 -0.792 . . . . 74.310000000000002 108.863 176.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 423' ' ' LEU . . . . . 0.554 ' HB3' ' HB2' ' W' ' 427' ' ' TRP . 3.1 mm? -125.84 156.66 71.01 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 116.208 -0.451 . . . . 64.420000000000002 111.428 -176.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -64.6 173.24 5.71 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.943 2.428 . . . . 72.319999999999993 111.291 176.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -71.61 109.85 5.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.326 0.584 . . . . 74.329999999999998 110.291 -176.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 122.63 -30.79 5.02 Favored Glycine 0 N--CA 1.441 -0.993 0 CA-C-N 115.559 -0.746 . . . . 73.450000000000003 111.238 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 427' ' ' TRP . . . . . 0.554 ' HB2' ' HB3' ' W' ' 423' ' ' LEU . 70.7 m95 -81.82 170.76 15.31 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.58 0.228 . . . . 55.329999999999998 110.606 179.132 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 428' ' ' GLU . . . . . 0.543 ' HB3' ' HB ' ' W' ' 440' ' ' ILE . 12.2 tp10 -155.41 164.57 38.55 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.209 -1.034 . . . . 74.140000000000001 108.209 -175.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 429' ' ' VAL . . . . . 0.436 ' HB ' HD23 ' W' ' 423' ' ' LEU . 13.6 p -125.98 138.92 53.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 118.378 0.535 . . . . 73.219999999999999 110.805 175.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 430' ' ' ARG . . . . . 0.471 ' HG3' ' H ' ' W' ' 431' ' ' HIS . 12.4 tpt180 -120.83 -159.68 0.81 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.703 -0.851 . . . . 75.540000000000006 108.703 -179.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 431' ' ' HIS . . . . . 0.471 ' H ' ' HG3' ' W' ' 430' ' ' ARG . 29.9 m80 -154.16 115.14 4.04 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.563 -0.532 . . . . 73.239999999999995 109.563 -173.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -79.58 149.13 71.04 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 109.909 -0.404 . . . . 74.209999999999994 109.909 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.53 -28.6 46.03 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.17 2.58 . . . . 74.109999999999999 112.763 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -70.35 -8.35 49.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.965 -0.561 . . . . 65.129999999999995 111.812 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 92.37 24.81 23.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.166 -1.016 . . . . 70.310000000000002 111.292 -178.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 436' ' ' ARG . . . . . . . . . . . . . 22.0 tpt180 -117.53 114.68 37.97 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.527 -0.337 . . . . 62.509999999999998 110.222 -176.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.14 112.66 3.58 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.296 1.997 . . . . 73.510000000000005 112.532 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -106.21 147.6 28.89 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.112 -0.699 . . . . 74.349999999999994 109.112 176.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 439' ' ' PHE . . . . . 0.489 ' HB2' HG23 ' W' ' 448' ' ' THR . 45.2 m-85 -89.56 158.81 17.5 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.445 0.64 . . . . 72.409999999999997 111.653 -176.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 440' ' ' ILE . . . . . 0.792 HG12 HG22 ' W' ' 447' ' ' THR . 35.5 mt -129.58 152.54 37.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.191 -0.913 . . . . 74.439999999999998 108.801 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 441' ' ' ASP . . . . . 0.604 ' OD2' HG21 ' W' ' 444' ' ' THR . 25.4 t70 -117.15 126.38 52.71 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 121.083 -0.247 . . . . 73.219999999999999 110.564 176.868 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -78.59 -22.99 46.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.795 -0.184 . . . . 72.430000000000007 111.007 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -66.8 -57.89 6.16 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.674 0.273 . . . . 74.120000000000005 111.017 -175.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 444' ' ' THR . . . . . 0.714 HG23 HG23 ' W' ' 446' ' ' THR . 9.0 t -95.48 -6.11 41.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.003 0.43 . . . . 75.209999999999994 110.136 178.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm 66.1 29.83 9.74 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.233 0.827 . . . . 73.209999999999994 113.233 174.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 446' ' ' THR . . . . . 0.714 HG23 HG23 ' W' ' 444' ' ' THR . 11.8 t -115.62 -178.86 3.49 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.674 -0.491 . . . . 71.239999999999995 109.674 177.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 447' ' ' THR . . . . . 0.792 HG22 HG12 ' W' ' 440' ' ' ILE . 3.0 p -109.32 153.68 23.57 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.931 -0.396 . . . . 62.299999999999997 109.931 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 448' ' ' THR . . . . . 0.495 HG22 ' HZ3' ' W' ' 427' ' ' TRP . 8.4 t -133.71 134.34 42.92 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.986 0.422 . . . . 74.340000000000003 111.135 -176.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 49.9 m95 -94.09 -15.89 24.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.323 -0.399 . . . . 72.439999999999998 110.621 178.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -88.95 154.22 20.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.329 0.585 . . . . 74.340000000000003 110.339 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -86.33 120.89 72.51 Favored Pre-proline 0 C--N 1.316 -0.861 0 CA-C-N 115.219 -0.901 . . . . 74.439999999999998 112.55 -173.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 452' ' ' PRO . . . . . 0.463 ' HG2' HD11 ' W' ' 423' ' ' LEU . 97.3 Cg_endo -93.55 21.34 0.63 Allowed 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.711 2.941 . . . . 75.420000000000002 112.5 177.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 453' ' ' ARG . . . . . 0.77 ' HA ' ' NE ' ' W' ' 453' ' ' ARG . 2.5 mmp_? -101.01 -47.72 4.67 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.255 -0.884 . . . . 74.230000000000004 110.815 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 85.4 mt -85.77 5.55 31.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.104 -0.953 . . . . 75.319999999999993 110.49 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -118.47 133.33 55.96 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.202 -0.666 . . . . 75.430000000000007 109.202 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 456' ' ' ILE . . . . . . . . . . . . . 7.7 tt -121.26 109.67 34.93 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-O 121.144 0.497 . . . . 73.439999999999998 110.886 178.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 457' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -65.04 107.88 1.02 Allowed 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.778 2.319 . . . . 72.430000000000007 111.696 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 115.853 -0.612 . . . . 64.540000000000006 110.838 -179.82 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 22.6 m . . . . . 0 N--CA 1.454 -0.232 0 CA-C-O 120.924 0.392 . . . . 73.349999999999994 111.113 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' P' P ' 639' ' ' ALA . . . . . 0.401 ' HA ' ' HD3' ' P' ' 640' ' ' PRO . . . -116.43 133.62 22.96 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.16 -0.473 . . . . 64.239999999999995 110.483 178.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 640' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' P' ' 639' ' ' ALA . 16.5 Cg_exo -68.09 133.92 30.21 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.479 2.12 . . . . 73.409999999999997 111.522 178.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 641' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -76.33 138.72 20.23 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 122.345 2.03 . . . . 72.340000000000003 111.715 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 642' ' ' PRO . . . . . 0.44 ' HB2' HD22 ' P' ' 647' ' ' LEU . 34.6 Cg_exo -61.31 154.53 57.74 Favored 'Trans proline' 0 CA--C 1.527 0.149 0 C-N-CA 122.807 2.338 . . . . 74.239999999999995 112.224 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 643' ' ' ALA . . . . . 0.471 ' O ' ' HG ' ' P' ' 647' ' ' LEU . . . -80.9 164.16 22.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.465 -0.334 . . . . 53.100000000000001 110.463 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -65.26 -15.61 62.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 74.510000000000005 111.376 -177.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -71.75 -34.34 69.41 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.468 -0.333 . . . . 73.140000000000001 111.665 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 14.5 t -94.73 -26.68 16.18 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.882 -0.327 . . . . 73.209999999999994 111.665 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' P' P ' 647' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' P' ' 643' ' ' ALA . 4.2 pp -101.4 7.06 42.79 Favored 'General case' 0 C--N 1.332 -0.175 0 O-C-N 122.025 -0.422 . . . . 74.340000000000003 111.399 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.409 0 C-N-CA 120.648 -0.787 . . . . 63.420000000000002 112.496 -179.64 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.669 0 N-CA-C 111.944 -0.462 . . . . 71.150000000000006 111.944 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 70.3 m -96.91 59.04 1.66 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.278 0.561 . . . . 63.210000000000001 110.26 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 418' ' ' MET . . . . . 0.482 ' HE1' ' HB3' ' W' ' 454' ' ' LEU . 0.7 OUTLIER -80.68 75.63 7.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.698 0.761 . . . . 64.549999999999997 111.229 -177.697 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' W' W ' 419' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -113.05 -74.94 0.61 Allowed 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.712 -1.218 . . . . 72.439999999999998 107.712 175.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -154.58 138.72 16.5 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.761 -0.829 . . . . 64.230000000000004 108.761 172.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . -168.12 -109.6 0.22 Allowed Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.536 -0.84 . . . . 63.049999999999997 111.934 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 422' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -109.06 97.29 6.94 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.503 -0.554 . . . . 73.549999999999997 109.503 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -95.25 151.56 38.8 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.78 -0.646 . . . . 75.439999999999998 110.108 -178.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 424' ' ' PRO . . . . . 0.478 ' HG2' ' CD1' ' W' ' 427' ' ' TRP . 12.6 Cg_endo -58.0 161.69 12.74 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.601 2.201 . . . . 75.319999999999993 111.049 176.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -77.17 117.23 18.5 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.302 -0.559 . . . . 74.040000000000006 110.115 -175.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 124.62 -27.89 5.36 Favored Glycine 0 N--CA 1.442 -0.921 0 CA-C-N 115.276 -0.874 . . . . 74.239999999999995 110.953 -177.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 427' ' ' TRP . . . . . 0.514 ' HA ' ' O ' ' W' ' 440' ' ' ILE . 65.1 m95 -97.0 116.59 29.48 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.788 -0.449 . . . . 71.349999999999994 109.788 178.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -114.47 153.95 29.04 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.853 -0.339 . . . . 75.329999999999998 110.354 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 57.7 t -93.52 125.09 46.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.187 -0.461 . . . . 74.340000000000003 110.722 -178.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 430' ' ' ARG . . . . . 0.462 ' HD2' ' HA ' ' W' ' 430' ' ' ARG . 11.5 tpt180 -109.42 -158.21 0.64 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.508 -0.315 . . . . 75.230000000000004 110.246 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 431' ' ' HIS . . . . . 0.437 ' H ' ' HG3' ' W' ' 430' ' ' ARG . 3.5 m80 -153.07 121.08 6.13 Favored 'General case' 0 C--N 1.331 -0.216 0 O-C-N 122.197 -0.314 . . . . 74.129999999999995 111.327 -171.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -97.5 159.08 31.97 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 109.292 -0.633 . . . . 63.020000000000003 109.292 175.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.86 -26.65 49.36 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.751 2.301 . . . . 74.340000000000003 113.003 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -75.22 -8.82 57.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.365 -0.38 . . . . 72.319999999999993 111.494 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 90.22 9.21 65.61 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 110.681 -0.968 . . . . 62.450000000000003 110.681 -176.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 436' ' ' ARG . . . . . 0.462 ' HA ' ' HD3' ' W' ' 437' ' ' PRO . 15.7 mmm180 -90.0 119.03 69.36 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 114.846 -0.677 . . . . 72.209999999999994 110.798 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 437' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' W' ' 436' ' ' ARG . 3.3 Cg_exo -81.49 116.63 2.97 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 122.981 2.454 . . . . 64.120000000000005 112.165 178.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 438' ' ' PHE . . . . . 0.462 ' HB3' ' CZ3' ' W' ' 449' ' ' TRP . 53.6 p90 -99.64 158.15 15.97 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.502 -0.479 . . . . 71.430000000000007 109.882 176.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -98.05 132.85 43.24 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.554 0.692 . . . . 73.209999999999994 111.64 -175.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 440' ' ' ILE . . . . . 0.514 ' O ' ' HA ' ' W' ' 427' ' ' TRP . 55.9 mt -105.84 121.92 58.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 114.86 -1.064 . . . . 75.310000000000002 109.987 178.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 441' ' ' ASP . . . . . 0.492 ' OD2' HG23 ' W' ' 444' ' ' THR . 11.9 t70 -97.53 117.74 32.48 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.975 0.417 . . . . 74.349999999999994 110.896 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -79.78 -23.05 42.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.084 -0.507 . . . . 73.010000000000005 111.381 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -58.31 -57.26 13.67 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.298 -0.41 . . . . 75.219999999999999 111.564 -175.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 444' ' ' THR . . . . . 0.492 HG23 ' OD2' ' W' ' 441' ' ' ASP . 9.0 t -106.97 -1.57 22.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.066 0.46 . . . . 63.520000000000003 110.07 178.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 27.2 mtmm 64.04 65.94 0.67 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.549 -0.75 . . . . 72.150000000000006 111.576 178.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 6.2 t -141.96 168.57 19.44 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.982 -1.008 . . . . 64.450000000000003 109.708 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 447' ' ' THR . . . . . 0.513 HG22 HG12 ' W' ' 440' ' ' ILE . 6.7 p -123.85 138.39 54.5 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.393 -0.225 . . . . 73.5 110.393 178.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 13.4 t -143.47 164.43 30.36 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.402 -0.519 . . . . 74.510000000000005 111.924 -177.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 449' ' ' TRP . . . . . 0.462 ' CZ3' ' HB3' ' W' ' 438' ' ' PHE . 95.9 m95 -102.87 -9.25 20.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.575 -0.739 . . . . 71.120000000000005 111.26 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -82.65 147.06 28.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.915 0.388 . . . . 71.340000000000003 110.411 -178.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 451' ' ' ASP . . . . . 0.547 ' O ' ' HG2' ' W' ' 455' ' ' LYS . 5.6 t70 -90.8 119.95 68.87 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.685 -0.689 . . . . 72.140000000000001 112.196 -176.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -84.22 28.13 0.58 Allowed 'Trans proline' 0 CA--C 1.532 0.402 0 C-N-CA 122.996 2.464 . . . . 72.310000000000002 112.122 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 453' ' ' ARG . . . . . 0.754 ' HA ' ' NE ' ' W' ' 453' ' ' ARG . 4.1 mmp_? -105.4 -54.18 2.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.56 -0.746 . . . . 75.420000000000002 110.88 -179.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 454' ' ' LEU . . . . . 0.482 ' HB3' ' HE1' ' W' ' 418' ' ' MET . 3.9 pp -93.12 -24.86 18.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.566 -0.743 . . . . 75.530000000000001 112.098 -178.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 455' ' ' LYS . . . . . 0.547 ' HG2' ' O ' ' W' ' 451' ' ' ASP . 19.9 ptmt -116.87 153.14 33.04 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.606 -0.438 . . . . 74.239999999999995 110.186 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 456' ' ' ILE . . . . . . . . . . . . . 54.1 mt -79.13 120.36 80.43 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 115.808 -0.633 . . . . 75.409999999999997 109.88 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 457' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.74 177.61 3.34 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.881 2.387 . . . . 75.319999999999993 112.953 -179.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.469 -0.787 . . . . 72.400000000000006 110.639 -177.761 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 10.7 m . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 121.497 0.665 . . . . 71.129999999999995 110.465 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' P' P ' 639' ' ' ALA . . . . . . . . . . . . . . . -109.59 153.41 42.91 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.379 -0.828 . . . . 70.420000000000002 110.33 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -54.92 133.77 59.69 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.581 2.188 . . . . 74.530000000000001 112.21 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 641' ' ' PRO . . . . . 0.463 ' HA ' ' HD3' ' P' ' 642' ' ' PRO . 76.6 Cg_endo -78.7 147.66 22.13 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.92 2.413 . . . . 72.439999999999998 112.627 -178.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 642' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' P' ' 641' ' ' PRO . 21.3 Cg_exo -65.29 163.67 28.47 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.948 2.432 . . . . 75.439999999999998 112.417 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -66.56 150.15 49.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.846 -0.616 . . . . 75.319999999999993 111.198 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -56.47 -36.91 69.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.744 -0.662 . . . . 75.219999999999999 111.372 -178.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -76.77 -12.87 60.04 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.727 0.639 . . . . 72.25 112.727 -177.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 4.8 t -117.72 -14.24 10.17 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.123 -0.631 . . . . 73.530000000000001 112.417 -176.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 647' ' ' LEU . . . . . . . . . . . . . 3.9 pp -79.15 -15.04 58.7 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.878 0.371 . . . . 74.230000000000004 111.054 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.524 0 CA-C-N 115.909 -0.587 . . . . 73.329999999999998 111.674 -179.616 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.959 0 N-CA-C 111.502 -0.639 . . . . 74.409999999999997 111.502 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 16.5 p -75.44 -36.19 60.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.549 0.69 . . . . 72.430000000000007 109.416 177.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 418' ' ' MET . . . . . . . . . . . . . 15.7 tpt -134.71 114.15 12.4 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.0 -1.0 . . . . 74.400000000000006 109.557 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 419' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -72.15 168.25 18.58 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.69 -0.485 . . . . 72.219999999999999 109.69 177.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 420' ' ' GLN . . . . . 0.467 ' NE2' ' H ' ' W' ' 420' ' ' GLN . 0.3 OUTLIER -58.44 -45.18 89.03 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 111.745 0.276 . . . . 74.430000000000007 111.745 -175.849 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . 63.67 -123.27 28.49 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 120.511 -0.852 . . . . 54.450000000000003 112.497 178.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 422' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -110.56 114.43 27.83 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.146 -0.686 . . . . 73.319999999999993 109.146 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 423' ' ' LEU . . . . . 0.703 ' HB3' ' HB2' ' W' ' 427' ' ' TRP . 3.3 mm? -81.61 153.13 70.56 Favored Pre-proline 0 C--N 1.317 -0.836 0 CA-C-N 116.532 -0.304 . . . . 74.120000000000005 110.354 -179.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -60.13 159.88 24.61 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.471 2.114 . . . . 74.129999999999995 111.133 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 3.1 tpmt? -53.34 104.2 0.09 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.393 0.616 . . . . 72.200000000000003 112.374 -177.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 116.5 -3.88 19.85 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.325 -0.852 . . . . 74.219999999999999 112.214 173.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 427' ' ' TRP . . . . . 0.703 ' HB2' ' HB3' ' W' ' 423' ' ' LEU . 46.7 m95 -94.65 152.64 18.33 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.635 -0.506 . . . . 63.25 109.635 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -145.33 158.81 43.75 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.566 -0.902 . . . . 73.349999999999994 108.566 -177.72 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 9.0 p -121.57 131.01 74.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 118.663 0.665 . . . . 75.400000000000006 109.986 178.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 430' ' ' ARG . . . . . 0.462 ' HD2' HD11 ' W' ' 440' ' ' ILE . 12.9 ttt-85 -113.83 -154.05 0.54 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.253 0.549 . . . . 75.219999999999999 112.115 -175.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -151.34 112.56 4.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.316 -0.856 . . . . 75.120000000000005 109.404 -170.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -85.49 153.84 58.97 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.994 -0.373 . . . . 74.200000000000003 109.994 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -57.86 -21.42 48.79 Favored 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 122.875 2.383 . . . . 65.439999999999998 112.727 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -79.42 -8.01 58.81 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.303 -0.408 . . . . 74.209999999999994 111.078 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 90.49 22.99 32.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.055 -0.593 . . . . 72.519999999999996 111.85 -178.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 436' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' W' ' 436' ' ' ARG . 10.1 mmm180 -109.86 136.86 20.34 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 120.686 0.279 . . . . 72.129999999999995 110.759 -179.124 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 437' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' W' ' 436' ' ' ARG . 37.7 Cg_endo -86.97 125.67 2.32 Favored 'Trans proline' 0 N--CA 1.448 -1.163 0 C-N-CA 122.636 2.224 . . . . 70.349999999999994 111.749 176.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -122.78 144.91 48.86 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.723 -0.473 . . . . 75.310000000000002 109.723 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -90.18 142.43 27.73 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.958 -0.565 . . . . 73.25 111.157 -177.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 440' ' ' ILE . . . . . 0.752 HD12 HD11 ' P' ' 647' ' ' LEU . 40.2 mt -119.97 118.28 56.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.48 -0.782 . . . . 75.140000000000001 109.892 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 441' ' ' ASP . . . . . 0.582 ' OD2' HG22 ' W' ' 444' ' ' THR . 12.3 t70 -95.81 120.14 35.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.379 0.609 . . . . 73.230000000000004 110.753 179.109 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -82.2 -7.19 59.62 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.25 -0.886 . . . . 73.219999999999999 111.51 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -84.28 -58.03 2.92 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.655 0.264 . . . . 72.140000000000001 111.563 -177.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 444' ' ' THR . . . . . 0.582 HG22 ' OD2' ' W' ' 441' ' ' ASP . 4.2 t -95.54 -0.67 51.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.118 0.485 . . . . 75.409999999999997 110.291 -178.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt 63.09 65.56 0.78 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.344 -0.844 . . . . 74.140000000000001 111.686 175.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 5.7 t -151.88 167.95 26.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.856 0.36 . . . . 74.120000000000005 111.159 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 447' ' ' THR . . . . . 0.543 HG21 HG12 ' W' ' 440' ' ' ILE . 20.8 p -120.25 145.59 46.9 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.336 -0.616 . . . . 72.019999999999996 109.336 177.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 448' ' ' THR . . . . . 0.508 ' OG1' ' HG2' ' W' ' 450' ' ' GLU . 14.5 t -141.24 156.29 45.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.236 0.541 . . . . 71.510000000000005 111.939 -178.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -105.56 -6.7 19.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.172 -0.922 . . . . 74.239999999999995 110.782 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 450' ' ' GLU . . . . . 0.508 ' HG2' ' OG1' ' W' ' 448' ' ' THR . 11.3 pt-20 -99.23 161.83 13.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.963 -0.562 . . . . 71.340000000000003 110.849 -176.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -89.44 123.97 65.53 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.225 -0.443 . . . . 74.549999999999997 110.787 -174.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -84.76 -8.3 9.3 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 122.701 2.267 . . . . 73.219999999999999 113.858 -178.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 453' ' ' ARG . . . . . 0.728 ' HE ' ' HA ' ' W' ' 453' ' ' ARG . 2.4 mmp_? -94.82 -24.13 17.19 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.998 -0.439 . . . . 74.140000000000001 111.947 178.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 75.7 mt -77.06 -16.39 59.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.166 0.508 . . . . 73.340000000000003 110.465 177.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -122.67 149.93 43.37 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.765 -0.652 . . . . 73.420000000000002 109.806 -178.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 456' ' ' ILE . . . . . 0.421 ' HA ' ' HD3' ' W' ' 457' ' ' PRO . 10.8 tt -146.44 106.99 4.1 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 121.271 0.557 . . . . 60.420000000000002 110.752 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 457' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' W' ' 456' ' ' ILE . 2.8 Cg_exo -76.47 171.58 17.79 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 123.001 2.467 . . . . 75.120000000000005 112.54 -179.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.594 0 CA-C-N 115.858 -0.61 . . . . 72.109999999999999 110.636 179.441 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.234 0.277 0 CA-C-O 121.392 0.615 . . . . 73.540000000000006 110.039 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' P' P ' 639' ' ' ALA . . . . . 0.462 ' HA ' ' HD3' ' P' ' 640' ' ' PRO . . . -93.9 125.89 51.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.375 -0.83 . . . . 75.310000000000002 110.526 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 640' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' P' ' 639' ' ' ALA . 11.2 Cg_exo -71.65 157.92 54.67 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.881 2.388 . . . . 72.420000000000002 112.334 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 641' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -70.16 162.41 42.37 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.347 2.032 . . . . 74.420000000000002 111.628 178.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 642' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.65 169.49 4.28 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.817 2.345 . . . . 74.109999999999999 112.933 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 643' ' ' ALA . . . . . 0.45 ' O ' HG22 ' P' ' 646' ' ' THR . . . -64.37 145.17 56.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.943 -0.572 . . . . 72.540000000000006 111.254 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -55.41 -39.38 70.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.062 -0.517 . . . . 74.420000000000002 111.35 -178.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -64.83 -26.6 68.41 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.554 0.576 . . . . 75.150000000000006 112.554 -177.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' P' P ' 646' ' ' THR . . . . . 0.45 HG22 ' O ' ' P' ' 643' ' ' ALA . 6.3 t -99.16 -2.44 36.85 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.626 -0.43 . . . . 75.140000000000001 111.288 -177.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 647' ' ' LEU . . . . . 0.752 HD11 HD12 ' W' ' 440' ' ' ILE . 3.6 pp -116.87 -10.41 11.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.83 0.348 . . . . 74.319999999999993 111.224 178.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 C-N-CA 121.053 -0.594 . . . . 73.409999999999997 111.803 -179.585 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.549 0 N-CA-C 112.169 -0.373 . . . . 61.030000000000001 112.169 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 47.0 t -139.98 149.99 43.92 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.243 -0.651 . . . . 73.409999999999997 109.243 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 418' ' ' MET . . . . . 0.644 ' HG2' ' HB2' ' W' ' 453' ' ' ARG . 11.4 tpt -137.94 138.41 38.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.93 0.395 . . . . 70.120000000000005 110.717 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 419' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -89.08 31.51 0.87 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 74.209999999999994 110.812 -178.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -130.22 120.18 24.07 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.826 0.346 . . . . 74.099999999999994 111.612 -175.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . -100.59 18.11 55.63 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 110.148 -1.181 . . . . 52.350000000000001 110.148 174.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 422' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -116.3 123.88 48.77 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.035 -0.583 . . . . 75.299999999999997 109.677 -178.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 423' ' ' LEU . . . . . 0.474 HD12 ' CE1' ' W' ' 439' ' ' PHE . 2.7 mm? -103.32 153.46 38.45 Favored Pre-proline 0 C--N 1.315 -0.898 0 CA-C-N 115.589 -0.732 . . . . 72.109999999999999 110.98 -177.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.2 165.69 8.51 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.632 2.222 . . . . 75.219999999999999 111.402 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -71.97 107.52 4.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.173 0.511 . . . . 75.099999999999994 110.31 -177.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 129.76 -21.16 5.06 Favored Glycine 0 N--CA 1.441 -1.025 0 N-CA-C 110.386 -1.086 . . . . 44.539999999999999 110.386 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 427' ' ' TRP . . . . . . . . . . . . . 53.8 m95 -102.59 128.28 49.32 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.04 -0.356 . . . . 72.129999999999995 110.04 178.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -113.66 165.6 12.37 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.4 -0.963 . . . . 73.140000000000001 108.4 177.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 11.7 p -124.88 137.57 57.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.441 0.638 . . . . 63.140000000000001 110.866 177.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 430' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -123.92 -153.18 0.54 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.671 -0.695 . . . . 73.049999999999997 110.415 -178.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -153.75 125.28 7.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.723 0.297 . . . . 74.120000000000005 110.657 -168.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -100.87 155.87 35.81 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.996 -0.547 . . . . 55.439999999999998 109.745 177.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.77 -25.34 51.13 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.984 2.456 . . . . 75.150000000000006 113.111 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -72.64 -12.27 60.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.277 -0.419 . . . . 64.310000000000002 111.118 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 97.95 1.76 58.43 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 111.407 -0.677 . . . . 71.510000000000005 111.407 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 436' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -86.56 131.19 46.43 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.484 -0.358 . . . . 73.430000000000007 110.961 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -87.8 99.14 0.44 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 122.532 2.155 . . . . 74.299999999999997 111.439 176.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -86.28 143.15 28.06 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.545 -0.539 . . . . 75.230000000000004 109.545 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 439' ' ' PHE . . . . . 0.474 ' CE1' HD12 ' W' ' 423' ' ' LEU . 44.8 m-85 -93.23 151.05 20.05 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.844 -0.616 . . . . 73.299999999999997 110.671 -177.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 440' ' ' ILE . . . . . 0.756 HG12 HG23 ' W' ' 447' ' ' THR . 22.4 mt -124.97 120.54 58.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.03 -0.532 . . . . 72.420000000000002 109.902 -178.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 441' ' ' ASP . . . . . 0.414 ' OD2' HG23 ' W' ' 444' ' ' THR . 9.1 t70 -90.52 120.48 31.65 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.91 0.386 . . . . 72.040000000000006 111.224 -178.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -77.75 -10.44 59.54 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.03 -0.532 . . . . 74.140000000000001 112.402 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -73.78 -57.01 4.27 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.749 -0.38 . . . . 70.400000000000006 111.242 -177.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 444' ' ' THR . . . . . 0.414 HG23 ' OD2' ' W' ' 441' ' ' ASP . 9.1 t -104.51 0.24 28.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.056 0.455 . . . . 72.5 110.451 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.72 64.49 1.03 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.581 -0.736 . . . . 72.430000000000007 111.686 178.182 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 14.8 t -141.96 165.79 26.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.195 -0.457 . . . . 73.420000000000002 110.365 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 447' ' ' THR . . . . . 0.756 HG23 HG12 ' W' ' 440' ' ' ILE . 8.8 p -113.01 143.14 44.82 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.335 -0.393 . . . . 73.219999999999999 110.485 178.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 11.6 t -136.86 157.53 46.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.028 0.442 . . . . 75.519999999999996 110.792 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 449' ' ' TRP . . . . . 0.584 ' CZ2' ' HD3' ' P' ' 641' ' ' PRO . 94.0 m95 -104.4 -7.34 19.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.101 -0.5 . . . . 74.239999999999995 110.949 -179.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -93.03 155.49 17.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.99 -0.55 . . . . 74.329999999999998 110.629 -175.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -94.46 128.91 38.42 Favored Pre-proline 0 N--CA 1.464 0.26 0 CA-C-N 116.39 -0.368 . . . . 73.450000000000003 110.292 -176.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 452' ' ' PRO . . . . . 0.423 ' HG2' HD11 ' W' ' 423' ' ' LEU . 95.6 Cg_endo -87.37 -0.7 7.6 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.834 2.356 . . . . 73.120000000000005 114.182 -178.347 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 453' ' ' ARG . . . . . 0.644 ' HB2' ' HG2' ' W' ' 418' ' ' MET . 12.3 mmm180 -92.17 -36.61 13.19 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 121.469 -0.769 . . . . 75.409999999999997 112.547 176.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 3.1 pp -74.34 -7.75 53.91 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.134 0.492 . . . . 74.329999999999998 111.596 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -147.44 141.1 25.59 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.01 -1.108 . . . . 75.049999999999997 108.01 175.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 456' ' ' ILE . . . . . . . . . . . . . 64.6 mt -121.68 112.5 32.33 Favored Pre-proline 0 C--N 1.321 -0.651 0 C-N-CA 120.322 -0.551 . . . . 75.340000000000003 111.407 -172.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 457' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -66.08 122.15 9.62 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 123.014 2.476 . . . . 73.340000000000003 111.776 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.563 0 CA-C-N 115.81 -0.632 . . . . 43.149999999999999 110.925 179.898 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 10.8 m . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.813 0.339 . . . . 53.439999999999998 110.43 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' P' P ' 639' ' ' ALA . . . . . . . . . . . . . . . -89.19 115.62 64.15 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.07 -0.514 . . . . 71.219999999999999 110.739 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.28 134.51 45.67 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.684 2.256 . . . . 74.239999999999995 112.059 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 641' ' ' PRO . . . . . 0.584 ' HD3' ' CZ2' ' W' ' 449' ' ' TRP . 92.9 Cg_endo -85.01 152.3 11.07 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 122.722 2.282 . . . . 71.510000000000005 112.46 -178.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 642' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' P' ' 641' ' ' PRO . 6.1 Cg_exo -78.3 174.27 12.65 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 123.469 2.779 . . . . 64.239999999999995 112.275 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -72.6 155.91 39.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.878 -0.601 . . . . 73.030000000000001 111.065 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 644' ' ' TYR . . . . . 0.546 ' HA ' ' HG ' ' P' ' 647' ' ' LEU . 88.8 t80 -59.15 -36.6 75.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 73.219999999999999 111.491 -178.367 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -59.73 -20.08 54.14 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.014 0.746 . . . . 70.010000000000005 113.014 -177.398 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 13.0 t -113.91 -20.96 10.86 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.451 -0.5 . . . . 75.25 112.224 -178.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' P' P ' 647' ' ' LEU . . . . . 0.546 ' HG ' ' HA ' ' P' ' 644' ' ' TYR . 3.9 pp -87.42 -10.33 52.26 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 122.049 -0.407 . . . . 73.120000000000005 111.447 -179.119 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.936 -0.649 . . . . 72.510000000000005 112.594 179.412 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 111.734 -0.546 . . . . 74.200000000000003 111.734 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 19.7 m -87.97 162.23 16.97 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.56 0.219 . . . . 71.409999999999997 110.463 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 418' ' ' MET . . . . . . . . . . . . . 21.3 mmt -58.15 129.24 41.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.241 -0.436 . . . . 75.420000000000002 109.984 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 419' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.12 33.7 0.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 114.481 1.289 . . . . 75.409999999999997 114.481 -175.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 69.33 -52.15 0.6 Allowed 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 115.604 1.705 . . . . 62.130000000000003 115.604 175.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . -90.38 -0.49 76.42 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 115.993 1.157 . . . . 71.030000000000001 115.993 -169.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 422' ' ' PHE . . . . . 0.514 ' O ' ' HD2' ' W' ' 453' ' ' ARG . 30.3 t80 -103.09 109.86 21.57 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 118.615 1.207 . . . . 74.340000000000003 109.14 178.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -93.33 153.28 41.52 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.524 -0.762 . . . . 74.140000000000001 111.692 -174.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 424' ' ' PRO . . . . . 0.519 ' HB2' ' CD1' ' W' ' 427' ' ' TRP . 23.1 Cg_exo -64.07 172.27 6.41 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.959 2.439 . . . . 54.530000000000001 111.826 176.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -70.6 109.61 4.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.063 0.459 . . . . 72.150000000000006 111.16 -175.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 112.07 -20.56 21.53 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.677 -0.773 . . . . 72.200000000000003 112.787 178.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 427' ' ' TRP . . . . . 0.637 ' HZ3' HG21 ' W' ' 448' ' ' THR . 50.2 m95 -85.92 115.62 23.65 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.157 0.504 . . . . 73.040000000000006 111.002 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -107.56 169.41 8.61 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.98 0.419 . . . . 75.140000000000001 111.047 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 89.6 t -127.14 129.59 71.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.86 -0.609 . . . . 74.510000000000005 110.278 -176.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 430' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -110.4 -158.19 0.64 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.187 -0.301 . . . . 72.349999999999994 110.187 178.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -155.02 110.72 3.12 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 121.228 -0.189 . . . . 74.209999999999994 110.736 -171.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -81.99 154.53 70.12 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 109.325 -0.62 . . . . 74.209999999999994 109.325 176.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -51.95 -31.82 45.13 Favored 'Trans proline' 0 N--CA 1.475 0.425 0 C-N-CA 123.19 2.593 . . . . 73.140000000000001 113.434 -178.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -77.01 -7.46 55.68 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.493 -0.322 . . . . 72.430000000000007 111.525 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 94.2 18.19 37.45 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.776 -0.726 . . . . 75.010000000000005 111.799 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 436' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -94.14 114.41 63.18 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.001 0.429 . . . . 75.430000000000007 110.477 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -83.96 106.13 1.2 Allowed 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 122.795 2.33 . . . . 74.140000000000001 112.575 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -94.9 157.83 15.74 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 120.076 -0.65 . . . . 73.439999999999998 109.515 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -95.44 143.35 26.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.374 0.607 . . . . 74.109999999999999 111.518 -175.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 440' ' ' ILE . . . . . . . . . . . . . 58.2 mt -112.81 134.46 55.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.074 -0.966 . . . . 65.209999999999994 108.734 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 441' ' ' ASP . . . . . 0.429 ' OD2' HG23 ' W' ' 444' ' ' THR . 24.2 t70 -108.32 116.06 31.26 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.247 0.546 . . . . 73.349999999999994 111.901 -176.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 44.3 m-70 -79.6 1.28 26.67 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.514 -0.767 . . . . 72.109999999999999 111.919 178.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -91.33 -58.55 2.41 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 121.945 -0.472 . . . . 75.430000000000007 111.917 -175.066 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 444' ' ' THR . . . . . 0.429 HG23 ' OD2' ' W' ' 441' ' ' ASP . 8.9 t -104.07 3.59 33.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.915 0.388 . . . . 72.120000000000005 110.523 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp 65.41 65.27 0.57 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.663 -0.699 . . . . 74.519999999999996 111.596 176.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 13.2 t -152.62 -177.69 6.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.08 -0.509 . . . . 72.409999999999997 110.418 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 447' ' ' THR . . . . . . . . . . . . . 17.1 p -119.81 150.09 41.0 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.171 -0.677 . . . . 75.030000000000001 109.171 176.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 448' ' ' THR . . . . . 0.637 HG21 ' HZ3' ' W' ' 427' ' ' TRP . 5.3 t -146.95 155.66 42.45 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.033 -0.667 . . . . 72.219999999999999 111.663 -177.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -106.12 -15.59 14.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.739 -0.664 . . . . 73.230000000000004 111.152 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 450' ' ' GLU . . . . . 0.502 ' HG2' ' OG1' ' W' ' 448' ' ' THR . 11.3 pt-20 -75.24 130.52 39.25 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.3 0.571 . . . . 73.209999999999994 111.345 -178.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -84.51 124.03 73.91 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.48 -0.782 . . . . 74.239999999999995 111.233 179.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -95.24 24.26 0.36 Allowed 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 123.635 2.89 . . . . 70.109999999999999 112.186 177.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 453' ' ' ARG . . . . . 0.76 ' HA ' ' NE ' ' W' ' 453' ' ' ARG . 3.2 mmp_? -100.48 -50.6 3.86 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.796 -0.638 . . . . 74.430000000000007 111.475 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 92.9 mt -76.43 1.67 15.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.821 -0.627 . . . . 72.230000000000004 111.373 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 455' ' ' LYS . . . . . 0.582 ' HZ2' ' HB3' ' W' ' 455' ' ' LYS . 0.2 OUTLIER -149.71 161.8 41.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.193 -0.458 . . . . 74.319999999999993 110.681 -179.34 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' W' W ' 456' ' ' ILE . . . . . 0.411 ' HA ' ' HD3' ' W' ' 457' ' ' PRO . 20.0 pt -126.61 123.3 23.9 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.29 -0.414 . . . . 74.329999999999998 110.055 178.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 457' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' W' ' 456' ' ' ILE . 16.9 Cg_exo -67.21 125.92 14.25 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.84 2.36 . . . . 72.120000000000005 112.322 -178.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.246 0 CA-C-N 116.095 -0.502 . . . . 74.140000000000001 111.74 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 25.3 p . . . . . 0 C--O 1.235 0.295 0 CA-C-O 120.933 0.397 . . . . 62.130000000000003 111.127 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' P' P ' 639' ' ' ALA . . . . . . . . . . . . . . . -124.34 112.95 27.82 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.203 -0.453 . . . . 75.099999999999994 110.561 179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -67.13 134.19 33.19 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.123 1.882 . . . . 73.329999999999998 111.189 177.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 641' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -80.62 124.98 5.38 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.497 2.131 . . . . 71.329999999999998 112.806 -177.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 642' ' ' PRO . . . . . 0.593 ' HD2' HD21 ' P' ' 647' ' ' LEU . 13.4 Cg_exo -70.76 173.6 11.63 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.519 2.813 . . . . 72.230000000000004 111.978 178.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 643' ' ' ALA . . . . . 0.557 ' O ' ' HG ' ' P' ' 647' ' ' LEU . . . -72.2 156.92 38.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.045 0.45 . . . . 65.25 111.495 -178.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -57.01 -29.09 63.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.628 -0.715 . . . . 75.340000000000003 111.945 -177.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -62.74 -30.47 71.45 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.464 0.542 . . . . 73.120000000000005 112.464 -177.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 11.7 t -109.34 3.84 21.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.279 0.562 . . . . 75.549999999999997 110.842 -178.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' P' P ' 647' ' ' LEU . . . . . 0.593 HD21 ' HD2' ' P' ' 642' ' ' PRO . 43.8 mt -88.93 -20.06 25.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.281 -0.418 . . . . 74.109999999999999 111.078 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.609 -0.805 . . . . 63.420000000000002 112.117 179.817 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.929 0 N-CA-C 111.843 -0.503 . . . . 72.140000000000001 111.843 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 16.3 m -84.19 21.22 1.43 Allowed 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.823 0.305 . . . . 70.519999999999996 111.823 -177.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 418' ' ' MET . . . . . 0.662 ' HG2' ' OD2' ' W' ' 451' ' ' ASP . 2.1 mpp? -132.08 -79.03 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.947 0.403 . . . . 64.030000000000001 109.923 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 419' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -154.79 159.65 40.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.102 -0.954 . . . . 63.039999999999999 108.545 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -106.85 84.07 1.93 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.229 0.537 . . . . 75.120000000000005 109.89 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . 106.2 -40.57 2.45 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.73 -0.747 . . . . 75.200000000000003 112.458 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 422' ' ' PHE . . . . . 0.458 ' O ' HD21 ' W' ' 423' ' ' LEU . 20.5 t80 -67.34 107.28 2.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.283 0.564 . . . . 61.329999999999998 110.723 179.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 423' ' ' LEU . . . . . 0.458 HD21 ' O ' ' W' ' 422' ' ' PHE . 4.2 mm? -132.32 165.36 36.75 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 108.579 -0.897 . . . . 72.219999999999999 108.579 -178.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -53.83 125.09 17.53 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 121.451 1.434 . . . . 74.120000000000005 109.678 173.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.19 96.91 0.08 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.951 0.881 . . . . 74.150000000000006 112.274 -174.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 154.83 -20.48 0.59 Allowed Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 108.231 -1.948 . . . . 74.099999999999994 108.231 172.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 427' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -89.36 171.71 9.56 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 114.199 -1.0 . . . . 74.400000000000006 109.26 173.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 428' ' ' GLU . . . . . 0.534 ' HB2' ' NE2' ' W' ' 442' ' ' HIS . 9.2 tp10 -146.88 146.91 30.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.158 0.504 . . . . 73.420000000000002 111.886 -176.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 62.4 t -97.93 125.82 51.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.222 -0.899 . . . . 73.329999999999998 109.811 175.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 430' ' ' ARG . . . . . 0.408 ' O ' ' HA ' ' W' ' 437' ' ' PRO . 7.8 tpt180 -133.26 147.03 51.92 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.234 -0.587 . . . . 75.200000000000003 110.943 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 18.6 m170 -91.74 138.81 31.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.069 0.462 . . . . 63.350000000000001 111.886 -178.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -101.54 163.75 17.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.338 -0.846 . . . . 72.430000000000007 109.48 176.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.85 -6.05 3.13 Favored 'Trans proline' 0 CA--C 1.534 0.504 0 C-N-CA 123.093 2.529 . . . . 71.510000000000005 113.642 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -107.87 15.45 24.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.966 0.412 . . . . 61.130000000000003 110.544 -178.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 70.59 9.87 65.96 Favored Glycine 0 C--O 1.229 -0.184 0 C-N-CA 121.119 -0.562 . . . . 63.43 112.575 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 436' ' ' ARG . . . . . 0.424 ' HA ' ' HD3' ' W' ' 437' ' ' PRO . 19.5 tpp180 -93.53 118.3 67.51 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 110.248 -0.278 . . . . 75.129999999999995 110.248 -179.309 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 437' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' W' ' 436' ' ' ARG . 5.8 Cg_exo -78.9 111.44 2.96 Favored 'Trans proline' 0 N--CA 1.453 -0.906 0 C-N-CA 122.841 2.361 . . . . 73.200000000000003 111.471 176.344 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -99.85 165.71 11.43 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.844 -0.428 . . . . 73.200000000000003 109.844 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 439' ' ' PHE . . . . . 0.431 ' CE2' ' HB2' ' W' ' 451' ' ' ASP . 80.6 m-85 -108.32 142.92 37.92 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.977 -0.556 . . . . 73.049999999999997 111.28 -175.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 440' ' ' ILE . . . . . 0.773 HG12 HG21 ' W' ' 447' ' ' THR . 21.9 mt -127.34 153.97 37.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.299 -0.864 . . . . 74.25 109.821 -178.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 441' ' ' ASP . . . . . 0.491 ' OD2' HG23 ' W' ' 444' ' ' THR . 6.2 t70 -112.11 131.79 55.23 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 107.781 -1.192 . . . . 73.439999999999998 107.781 173.544 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 442' ' ' HIS . . . . . 0.534 ' NE2' ' HB2' ' W' ' 428' ' ' GLU . 26.8 m170 -79.53 -25.04 41.8 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 119.785 1.175 . . . . 74.439999999999998 110.713 -176.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -60.65 -56.9 15.81 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.953 -0.567 . . . . 63.130000000000003 112.004 -174.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 444' ' ' THR . . . . . 0.681 HG22 ' HB ' ' W' ' 446' ' ' THR . 13.3 t -107.45 7.84 29.17 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.399 -0.364 . . . . 72.0 111.301 -176.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 60.36 30.69 20.02 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.254 0.55 . . . . 73.099999999999994 110.675 179.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 446' ' ' THR . . . . . 0.681 ' HB ' HG22 ' W' ' 444' ' ' THR . 1.0 OUTLIER -92.75 141.66 28.21 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.304 -0.862 . . . . 75.409999999999997 111.773 -176.963 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' W' W ' 447' ' ' THR . . . . . 0.773 HG21 HG12 ' W' ' 440' ' ' ILE . 16.4 p -111.33 145.4 38.91 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.803 -0.635 . . . . 61.299999999999997 109.948 177.71 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 448' ' ' THR . . . . . 0.434 ' OG1' ' HG2' ' W' ' 450' ' ' GLU . 13.2 t -144.41 163.57 33.38 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.972 0.415 . . . . 63.119999999999997 111.131 -178.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -105.41 -5.9 19.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.056 -0.52 . . . . 74.310000000000002 111.266 -178.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 450' ' ' GLU . . . . . 0.434 ' HG2' ' OG1' ' W' ' 448' ' ' THR . 7.3 pt-20 -101.04 160.65 14.2 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.429 -0.582 . . . . 71.409999999999997 109.429 -179.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 451' ' ' ASP . . . . . 0.662 ' OD2' ' HG2' ' W' ' 418' ' ' MET . 1.8 t70 -114.52 131.37 23.38 Favored Pre-proline 0 C--N 1.323 -0.57 0 C-N-CA 121.327 -0.149 . . . . 75.519999999999996 111.317 -173.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.51 -4.26 15.03 Favored 'Trans proline' 0 CA--C 1.537 0.675 0 C-N-CA 123.106 2.537 . . . . 74.340000000000003 114.036 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 453' ' ' ARG . . . . . 0.505 ' HB2' ' OD2' ' W' ' 451' ' ' ASP . 1.0 OUTLIER -81.7 -50.61 9.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.026 0.441 . . . . 75.450000000000003 110.791 175.072 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' W' W ' 454' ' ' LEU . . . . . 0.445 ' HG ' ' OD2' ' W' ' 451' ' ' ASP . 3.9 pp -80.94 -2.5 47.96 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.567 0.581 . . . . 73.25 112.567 -177.204 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 455' ' ' LYS . . . . . 0.553 ' HG2' ' O ' ' W' ' 451' ' ' ASP . 18.1 ptpt -149.86 168.47 23.67 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.537 -0.542 . . . . 72.329999999999998 109.537 179.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 456' ' ' ILE . . . . . . . . . . . . . 5.4 pt -129.07 123.63 21.88 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-O 120.708 0.29 . . . . 72.340000000000003 110.391 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 457' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.42 152.17 27.33 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 123.465 2.777 . . . . 62.340000000000003 113.358 -178.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 115.443 -0.799 . . . . 53.420000000000002 110.42 -178.35 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 2.3 p . . . . . 0 C--O 1.235 0.296 0 CA-C-O 121.253 0.549 . . . . 74.540000000000006 111.209 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' P' P ' 639' ' ' ALA . . . . . 0.444 ' HA ' ' HD3' ' P' ' 640' ' ' PRO . . . -110.97 110.69 56.74 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.698 -0.683 . . . . 74.25 109.785 177.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 640' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' P' ' 639' ' ' ALA . 2.4 Cg_endo -85.62 131.17 3.91 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 122.302 2.001 . . . . 74.310000000000002 112.27 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 641' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' P' ' 640' ' ' PRO . 34.2 Cg_endo -92.94 141.52 1.98 Allowed 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 123.133 2.556 . . . . 70.510000000000005 111.482 176.131 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 642' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.1 136.38 72.9 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.562 2.175 . . . . 74.319999999999993 112.236 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -65.93 147.53 53.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.17 -0.468 . . . . 75.109999999999999 110.418 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 644' ' ' TYR . . . . . 0.482 ' HA ' ' HB2' ' P' ' 647' ' ' LEU . 27.6 t80 -62.84 -14.8 50.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.101 0.476 . . . . 75.420000000000002 110.812 -178.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -61.14 -37.81 84.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.859 -0.61 . . . . 74.400000000000006 110.82 177.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 14.2 t -96.63 -11.45 25.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.143 0.497 . . . . 71.209999999999994 110.439 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' P' P ' 647' ' ' LEU . . . . . 0.482 ' HB2' ' HA ' ' P' ' 644' ' ' TYR . 93.6 mt -84.72 -43.08 14.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.069 -0.514 . . . . 74.319999999999993 110.757 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 C-N-CA 120.94 -0.648 . . . . 71.200000000000003 112.037 -179.913 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.48 0.181 . . . . 72.5 110.905 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -68.43 172.01 12.0 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.901 2.401 . . . . 53.51 111.876 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -57.75 135.87 56.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.109 -0.496 . . . . 74.02 110.748 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 77.64 -5.33 52.7 Favored Glycine 0 CA--C 1.52 0.391 0 CA-C-N 115.84 -0.618 . . . . 50.31 113.893 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 427' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -102.88 124.83 49.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 117.529 0.665 . . . . 74.1 111.47 -178.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 428' ' ' GLU . . . . . 0.408 ' HB3' ' HB ' ' W' ' 440' ' ' ILE . 6.6 tp10 -114.45 165.41 12.77 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.045 -0.724 . . . . 71.35 109.045 177.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 14.2 p -135.66 135.98 50.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.484 -0.562 . . . . 62.32 109.484 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 430' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -138.12 170.05 16.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.426 -0.352 . . . . 71.23 110.142 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -106.85 133.8 50.96 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.781 0.324 . . . . 74.53 110.358 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -85.73 155.68 58.79 Favored Pre-proline 0 C--N 1.319 -0.76 0 N-CA-C 108.95 -0.759 . . . . 52.41 108.95 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.14 -23.58 45.44 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.552 2.168 . . . . 72.51 112.182 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -74.88 -14.47 60.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 73.43 111.262 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 106.95 -19.54 35.14 Favored Glycine 0 CA--C 1.518 0.226 0 C-N-CA 120.732 -0.747 . . . . 53.0 112.804 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 436' ' ' ARG . . . . . 0.44 ' HA ' ' HD3' ' W' ' 436' ' ' ARG . 15.9 mmt180 -81.0 140.25 49.87 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-O 120.859 0.361 . . . . 72.21 111.269 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -83.16 140.16 9.75 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.798 2.332 . . . . 73.41 112.103 177.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -131.11 149.72 52.47 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.007 0.432 . . . . 74.34 109.987 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -96.9 141.66 29.82 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.583 -0.735 . . . . 72.32 110.58 -177.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 440' ' ' ILE . . . . . 0.459 HD13 HD21 ' P' ' 647' ' ' LEU . 13.8 mt -121.54 114.22 42.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.251 -0.886 . . . . 74.32 110.465 -176.566 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 441' ' ' ASP . . . . . 0.581 ' OD2' HG22 ' W' ' 444' ' ' THR . 18.8 t70 -89.0 109.67 20.47 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.066 0.46 . . . . 71.41 110.884 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 442' ' ' HIS . . . . . 0.4 ' HE2' ' HB2' ' W' ' 428' ' ' GLU . 39.6 m-70 -61.8 -24.57 66.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.641 -0.709 . . . . 64.45 112.141 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -66.58 -56.88 8.7 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.436 0.532 . . . . 43.42 112.436 -174.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 444' ' ' THR . . . . . 0.581 HG22 ' OD2' ' W' ' 441' ' ' ASP . 14.8 t -111.19 11.29 21.83 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.23 0.456 . . . . 75.24 112.23 -177.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp 64.0 29.13 14.39 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.141 -0.482 . . . . 41.14 112.009 175.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 4.1 t -104.7 151.23 23.96 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.258 0.551 . . . . 63.52 111.195 -178.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 447' ' ' THR . . . . . . . . . . . . . 2.7 p -116.03 146.86 41.81 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.702 -0.681 . . . . 72.22 110.083 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 8.9 t -145.37 150.96 37.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.002 0.43 . . . . 71.33 111.606 -179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -97.05 -9.44 28.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.321 0.581 . . . . 72.34 109.532 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -85.7 151.65 23.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.18 -0.918 . . . . 72.35 110.111 -176.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 451' ' ' ASP . . . . . 0.414 ' HB3' ' CD2' ' W' ' 454' ' ' LEU . 12.9 t70 -94.87 123.53 57.4 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 109.977 -0.379 . . . . 72.1 109.977 -176.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -81.68 -4.87 12.32 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.782 2.321 . . . . 73.2 113.957 -177.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 453' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -93.75 -32.48 13.99 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.942 -0.303 . . . . 72.31 111.701 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 454' ' ' LEU . . . . . 0.916 HD12 ' HG3' ' W' ' 455' ' ' LYS . 3.7 pp -78.11 -8.5 58.33 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.268 0.556 . . . . 75.35 110.724 178.411 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 455' ' ' LYS . . . . . 0.916 ' HG3' HD12 ' W' ' 454' ' ' LEU . 61.1 mtpt . . . . . 0 C--N 1.324 -0.503 0 N-CA-C 107.673 -1.232 . . . . 72.21 107.673 174.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo . . . . . 0 N--CA 1.462 -0.369 0 CA-C-O 120.625 0.177 . . . . 61.53 111.705 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' P' P ' 641' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -81.2 150.34 17.59 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.077 1.851 . . . . 72.44 111.999 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 642' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.97 140.26 91.9 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.677 2.251 . . . . 74.24 112.104 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -68.52 163.89 22.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.133 0.492 . . . . 65.43 111.078 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -61.22 -39.75 91.42 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.6 -0.727 . . . . 54.31 111.082 -177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -76.01 -20.34 57.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.542 0.687 . . . . 72.23 110.221 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 95.0 m -78.16 -36.98 46.91 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.2 -0.909 . . . . 70.23 110.869 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' P' P ' 647' ' ' LEU . . . . . 0.459 HD21 HD13 ' W' ' 440' ' ' ILE . 4.2 pp -90.69 -6.27 54.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.889 -0.596 . . . . 71.22 111.475 -177.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.773 -0.727 . . . . 65.14 112.129 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 C--O 1.232 0.155 0 N-CA-C 110.158 -0.312 . . . . 71.13 110.158 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.52 164.2 24.42 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.637 2.225 . . . . 72.2 111.772 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 425' ' ' LYS . . . . . 0.426 ' C ' ' HD3' ' W' ' 425' ' ' LYS . 0.6 OUTLIER -50.59 125.91 14.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.402 0.62 . . . . 75.2 111.725 179.419 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 77.82 4.84 86.05 Favored Glycine 0 C--O 1.223 -0.556 0 CA-C-N 115.208 -0.906 . . . . 70.25 114.267 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 427' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -102.92 122.6 44.91 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 118.136 0.968 . . . . 71.34 110.596 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 428' ' ' GLU . . . . . 0.444 ' HB2' ' CD2' ' W' ' 442' ' ' HIS . 6.5 tp10 -114.01 165.81 12.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.631 -0.713 . . . . 74.34 109.181 -179.09 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 5.9 p -135.85 132.12 50.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 N-CA-C 109.315 -0.624 . . . . 71.13 109.315 176.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 430' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' W' ' 437' ' ' PRO . 6.7 mtt180 -124.17 161.42 25.74 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.479 -0.328 . . . . 71.32 110.186 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -98.94 118.81 36.56 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 110.195 -0.298 . . . . 73.1 110.195 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 432' ' ' ALA . . . . . 0.464 ' HB2' ' HD2' ' W' ' 438' ' ' PHE . . . -75.72 154.88 85.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 116.346 -0.388 . . . . 44.21 110.394 -179.157 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -57.91 -20.59 45.16 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.642 2.228 . . . . 65.12 111.97 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 -69.54 -15.93 63.33 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.113 -0.494 . . . . 73.12 110.663 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 96.59 18.05 31.58 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.81 -0.71 . . . . 53.54 112.355 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 436' ' ' ARG . . . . . 0.555 ' HG2' ' HD2' ' W' ' 437' ' ' PRO . 1.9 tmm_? -135.47 137.26 25.75 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 109.455 -0.572 . . . . 73.01 109.455 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 437' ' ' PRO . . . . . 0.555 ' HD2' ' HG2' ' W' ' 436' ' ' ARG . 55.2 Cg_endo -71.64 149.63 55.43 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.701 2.267 . . . . 64.01 114.114 -178.293 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 438' ' ' PHE . . . . . 0.464 ' HD2' ' HB2' ' W' ' 432' ' ' ALA . 52.1 p90 -134.78 157.49 46.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.939 -1.028 . . . . 73.13 108.408 174.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -100.2 141.91 32.4 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.411 0.624 . . . . 75.43 111.937 -175.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 440' ' ' ILE . . . . . 0.761 HG12 HG22 ' W' ' 447' ' ' THR . 35.9 mt -122.45 115.59 46.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.148 -0.933 . . . . 71.44 109.927 -178.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 441' ' ' ASP . . . . . 0.582 ' OD2' HG22 ' W' ' 444' ' ' THR . 17.7 t70 -85.84 109.02 18.4 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.994 0.426 . . . . 64.44 111.148 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 442' ' ' HIS . . . . . 0.444 ' CD2' ' HB2' ' W' ' 428' ' ' GLU . 60.7 m-70 -60.57 -23.91 65.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.987 -0.551 . . . . 72.44 111.792 177.136 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 443' ' ' ASN . . . . . 0.449 ' HB2' ' OD2' ' W' ' 441' ' ' ASP . 61.5 m-80 -62.2 -57.07 12.84 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.619 0.229 . . . . 62.33 111.619 -177.312 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 444' ' ' THR . . . . . 0.582 HG22 ' OD2' ' W' ' 441' ' ' ASP . 12.2 t -109.43 5.57 23.51 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.014 0.375 . . . . 72.11 112.014 -178.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 13.8 mptt 65.73 31.26 9.79 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 112.08 0.4 . . . . 65.42 112.08 177.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 4.5 t -104.41 161.84 13.74 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.301 -0.409 . . . . 53.25 110.906 -178.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 447' ' ' THR . . . . . 0.761 HG22 HG12 ' W' ' 440' ' ' ILE . 10.4 p -122.11 141.92 50.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.938 -0.574 . . . . 74.44 109.992 178.571 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 13.2 t -147.34 163.48 36.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.009 0.433 . . . . 71.41 111.118 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 449' ' ' TRP . . . . . 0.439 ' HZ2' ' HD3' ' P' ' 641' ' ' PRO . 86.1 m95 -104.36 -8.49 19.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.837 -0.62 . . . . 63.41 110.422 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -78.11 146.19 35.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.047 -0.524 . . . . 62.2 110.439 -178.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 451' ' ' ASP . . . . . 0.478 ' OD2' ' HG ' ' W' ' 454' ' ' LEU . 19.1 t70 -89.06 124.33 65.26 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.363 -0.38 . . . . 61.23 110.368 -178.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -86.94 -0.31 7.85 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.86 2.373 . . . . 73.04 113.553 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 453' ' ' ARG . . . . . . . . . . . . . 46.4 mtp85 -87.75 -46.51 9.41 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.188 0.44 . . . . 70.43 112.188 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 454' ' ' LEU . . . . . 0.478 ' HG ' ' OD2' ' W' ' 451' ' ' ASP . 3.7 pp -80.46 -10.3 59.75 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.812 -0.355 . . . . 72.45 111.744 -177.577 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.323 -0.552 0 N-CA-C 109.774 -0.454 . . . . 73.42 109.774 178.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo . . . . . 0 C--O 1.234 0.279 0 CA-C-O 120.533 0.139 . . . . 65.42 112.328 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' P' P ' 641' ' ' PRO . . . . . 0.465 ' HA ' ' HD3' ' P' ' 642' ' ' PRO . 92.9 Cg_endo -82.07 138.74 10.35 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.547 2.165 . . . . 74.24 112.084 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 642' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' P' ' 641' ' ' PRO . 6.0 Cg_exo -78.14 173.64 13.62 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 123.184 2.59 . . . . 72.33 112.098 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -70.35 159.28 34.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.381 -0.372 . . . . 63.43 110.113 177.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -59.22 -44.14 92.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.84 0.352 . . . . 72.14 111.701 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -72.93 -15.47 61.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.36 0.6 . . . . 71.13 110.529 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 90.4 m -87.56 -40.17 14.49 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.086 -0.961 . . . . 72.54 110.763 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 647' ' ' LEU . . . . . . . . . . . . . 4.2 pp -84.61 -16.44 42.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.905 -0.589 . . . . 74.43 111.476 -177.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.444 0 C-N-CA 120.675 -0.774 . . . . 53.5 112.067 179.732 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 C--O 1.234 0.24 0 N-CA-C 109.124 -0.695 . . . . 64.02 109.124 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' W' W ' 424' ' ' PRO . . . . . 0.569 ' HB2' ' CD1' ' W' ' 427' ' ' TRP . 50.4 Cg_exo -53.39 145.03 47.59 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.128 1.886 . . . . 75.42 111.056 177.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -58.35 107.41 0.49 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.336 0.588 . . . . 45.41 111.49 -175.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 121.51 -6.24 10.67 Favored Glycine 0 N--CA 1.446 -0.659 0 CA-C-N 115.223 -0.899 . . . . 72.42 111.864 177.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 427' ' ' TRP . . . . . 0.569 ' CD1' ' HB2' ' W' ' 424' ' ' PRO . 32.7 m95 -100.21 124.98 46.29 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.905 -0.406 . . . . 75.43 109.905 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -127.78 156.62 42.18 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.835 -0.432 . . . . 62.24 109.835 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 43.0 t -103.55 135.53 40.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.918 0.39 . . . . 74.3 111.046 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 430' ' ' ARG . . . . . 0.547 ' HD2' HD11 ' W' ' 440' ' ' ILE . 0.2 OUTLIER -118.44 -153.77 0.54 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 75.15 110.566 179.692 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' W' W ' 431' ' ' HIS . . . . . 0.437 ' H ' ' HG2' ' W' ' 430' ' ' ARG . 12.6 m80 -151.32 111.23 4.07 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.948 -0.39 . . . . 72.53 109.948 -170.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 432' ' ' ALA . . . . . 0.444 ' HB2' ' HD1' ' W' ' 438' ' ' PHE . . . -90.21 149.9 42.21 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.676 -0.238 . . . . 74.2 110.43 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -51.92 -31.84 44.95 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.328 2.685 . . . . 75.44 112.921 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -64.95 -14.3 59.67 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.636 0.255 . . . . 74.42 111.611 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 94.84 23.75 19.68 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.505 -0.855 . . . . 75.04 111.461 -178.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 436' ' ' ARG . . . . . 0.427 ' HA ' ' HD3' ' W' ' 437' ' ' PRO . 15.3 mmm180 -119.47 123.14 28.85 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.483 -0.359 . . . . 72.15 110.869 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 437' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' W' ' 436' ' ' ARG . 11.7 Cg_exo -73.26 107.86 2.48 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 123.107 2.538 . . . . 52.33 111.919 177.092 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 438' ' ' PHE . . . . . 0.444 ' HD1' ' HB2' ' W' ' 432' ' ' ALA . 53.9 p90 -95.5 155.11 16.88 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.879 -0.415 . . . . 61.23 109.879 177.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -95.24 138.32 33.1 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.256 0.55 . . . . 71.24 110.986 -176.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 440' ' ' ILE . . . . . 0.547 HD11 ' HD2' ' W' ' 430' ' ' ARG . 34.7 mt -110.09 116.08 51.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.534 -0.757 . . . . 75.32 109.831 179.034 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 441' ' ' ASP . . . . . 0.543 ' OD2' HG22 ' W' ' 444' ' ' THR . 25.1 t70 -90.71 110.7 21.87 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.108 -0.701 . . . . 74.22 109.108 175.443 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -78.57 -8.31 58.47 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.468 -0.787 . . . . 75.13 110.659 -177.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -75.45 -57.74 3.7 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.046 0.387 . . . . 64.34 112.046 -177.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 444' ' ' THR . . . . . 0.543 HG22 ' OD2' ' W' ' 441' ' ' ASP . 13.8 t -101.97 1.89 37.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.806 0.336 . . . . 74.21 110.737 -179.128 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 445' ' ' LYS . . . . . 0.404 ' HD2' ' CE1' ' P' ' 644' ' ' TYR . 72.8 mmtt 66.1 65.88 0.5 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.816 -0.629 . . . . 71.05 110.993 177.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 7.6 t -148.81 163.31 37.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.042 -0.527 . . . . 74.43 110.701 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 447' ' ' THR . . . . . . . . . . . . . 11.3 p -118.86 143.79 46.75 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.979 -0.378 . . . . 74.3 109.979 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 448' ' ' THR . . . . . 0.447 ' OG1' ' HG2' ' W' ' 450' ' ' GLU . 15.1 t -141.02 160.97 38.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.785 0.326 . . . . 72.41 111.251 -178.021 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 449' ' ' TRP . . . . . 0.563 ' HZ2' ' HD3' ' P' ' 641' ' ' PRO . 94.8 m95 -105.68 -7.92 18.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.263 -0.426 . . . . 64.22 111.46 -179.613 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 450' ' ' GLU . . . . . 0.447 ' HG2' ' OG1' ' W' ' 448' ' ' THR . 13.5 pt-20 -89.35 158.08 17.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.758 0.314 . . . . 74.22 111.218 -175.594 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -98.71 129.81 29.22 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 72.11 109.892 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -90.31 -18.02 1.4 Allowed 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 122.751 2.3 . . . . 64.25 114.668 -178.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 453' ' ' ARG . . . . . 0.854 ' HE ' ' HA ' ' W' ' 453' ' ' ARG . 2.3 mmp_? -93.56 -18.83 21.8 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 121.373 -0.83 . . . . 74.41 112.512 -177.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 86.2 mt -79.37 7.4 7.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.555 0.693 . . . . 73.33 109.585 174.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 114.873 -1.058 . . . . 75.43 108.776 -178.707 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo . . . . . 0 C--O 1.234 0.323 0 CA-C-O 120.725 0.219 . . . . 52.25 112.362 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' P' P ' 641' ' ' PRO . . . . . 0.563 ' HD3' ' HZ2' ' W' ' 449' ' ' TRP . 60.3 Cg_endo -72.12 154.12 57.22 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 122.655 2.236 . . . . 73.14 112.054 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 642' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.12 162.62 41.21 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.628 2.218 . . . . 65.03 111.976 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -78.22 157.17 29.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.349 -0.387 . . . . 74.41 110.563 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 644' ' ' TYR . . . . . 0.404 ' CE1' ' HD2' ' W' ' 445' ' ' LYS . 29.1 t80 -52.35 -37.07 55.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.524 -0.762 . . . . 70.52 111.905 -177.197 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -64.01 -49.93 70.49 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.453 0.538 . . . . 64.42 112.453 -176.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 14.4 t -74.54 -22.99 58.74 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.513 0.56 . . . . 65.43 112.513 -176.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 647' ' ' LEU . . . . . . . . . . . . . 4.6 pp -91.06 -26.19 19.28 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.557 -0.457 . . . . 54.33 111.413 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.407 0 C-N-CA 120.552 -0.832 . . . . 65.51 112.687 179.287 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' W' W ' 423' ' ' LEU . . . . . 0.411 HD13 ' HD2' ' W' ' 453' ' ' ARG . 2.8 mm? . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 120.649 0.261 . . . . 73.44 110.991 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -63.15 168.04 11.52 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.498 2.132 . . . . 65.14 110.251 176.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 425' ' ' LYS . . . . . 0.43 ' HA ' ' HD2' ' W' ' 425' ' ' LYS . 20.5 tptm -75.19 107.26 7.17 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.907 -0.717 . . . . 73.21 109.727 -177.605 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 133.97 -25.02 3.57 Favored Glycine 0 N--CA 1.437 -1.235 0 N-CA-C 110.158 -1.177 . . . . 41.44 110.158 -178.321 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 427' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -100.8 152.14 20.85 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.115 -0.328 . . . . 64.25 110.115 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -145.69 159.13 43.6 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.223 -1.029 . . . . 75.54 108.223 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 11.5 p -108.87 138.06 37.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 118.441 0.564 . . . . 65.34 110.109 178.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 430' ' ' ARG . . . . . 0.4 ' HD2' ' HA ' ' W' ' 430' ' ' ARG . 0.1 OUTLIER -123.52 -157.57 0.76 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.817 -0.628 . . . . 61.12 111.091 -177.027 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -152.0 113.89 4.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.751 0.31 . . . . 72.14 110.617 -171.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -85.6 154.33 58.98 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.23 -0.441 . . . . 72.3 110.051 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.26 -24.8 43.77 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.145 2.563 . . . . 73.31 113.248 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -75.31 -5.69 46.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.547 -0.297 . . . . 74.42 111.503 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 88.22 22.96 39.19 Favored Glycine 0 C--N 1.33 0.241 0 N-CA-C 111.259 -0.736 . . . . 54.25 111.259 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 436' ' ' ARG . . . . . 0.419 ' HB3' ' HZ3' ' W' ' 449' ' ' TRP . 10.8 mmm180 -112.52 125.85 29.32 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.266 -0.467 . . . . 74.05 110.671 -177.122 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -81.16 122.59 4.24 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.679 2.253 . . . . 71.53 112.429 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -118.13 146.79 43.91 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.634 -0.506 . . . . 75.14 109.634 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -92.6 137.91 31.96 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.221 -0.445 . . . . 73.54 110.746 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 440' ' ' ILE . . . . . 0.63 HG12 HG22 ' W' ' 447' ' ' THR . 49.2 mt -116.66 138.45 47.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.794 -0.639 . . . . 61.3 110.257 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 441' ' ' ASP . . . . . 0.51 ' HB3' HG22 ' W' ' 446' ' ' THR . 13.3 t70 -103.9 123.46 47.17 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.946 -0.57 . . . . 75.24 110.52 177.425 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -74.67 -17.34 60.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.168 -0.469 . . . . 71.43 111.89 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -76.89 -58.56 3.21 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.295 0.48 . . . . 75.21 112.295 -174.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 444' ' ' THR . . . . . 0.482 HG22 ' OD2' ' W' ' 441' ' ' ASP . 14.5 t -106.38 -1.05 23.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.82 0.343 . . . . 71.23 110.827 -178.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm 63.42 54.96 1.87 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.819 -0.628 . . . . 74.34 111.3 177.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 446' ' ' THR . . . . . 0.51 HG22 ' HB3' ' W' ' 441' ' ' ASP . 13.7 t -116.92 160.69 20.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.603 -0.726 . . . . 74.3 109.581 178.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 447' ' ' THR . . . . . 0.63 HG22 HG12 ' W' ' 440' ' ' ILE . 46.7 p -124.96 144.41 50.38 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.802 -0.444 . . . . 55.42 109.802 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 448' ' ' THR . . . . . 0.636 ' OG1' ' HG2' ' W' ' 450' ' ' GLU . 12.2 t -139.56 150.63 45.29 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.429 0.633 . . . . 74.24 112.105 -178.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 449' ' ' TRP . . . . . 0.419 ' HZ3' ' HB3' ' W' ' 436' ' ' ARG . 96.1 m95 -105.71 -6.12 19.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.978 -1.01 . . . . 74.15 110.186 179.07 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 450' ' ' GLU . . . . . 0.636 ' HG2' ' OG1' ' W' ' 448' ' ' THR . 13.8 pt-20 -98.18 163.0 12.92 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.44 -0.8 . . . . 64.13 109.762 -176.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -74.51 114.5 34.54 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.28 -0.418 . . . . 64.44 110.088 -176.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 452' ' ' PRO . . . . . 0.649 ' HG2' ' HD3' ' W' ' 453' ' ' ARG . 96.6 Cg_endo -77.61 -17.44 14.28 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.585 2.19 . . . . 60.21 112.532 -179.311 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 453' ' ' ARG . . . . . 0.649 ' HD3' ' HG2' ' W' ' 452' ' ' PRO . 0.0 OUTLIER -76.35 -30.27 57.55 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.592 -0.522 . . . . 75.12 109.592 179.515 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 80.8 mt -75.75 -24.8 56.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.798 -0.637 . . . . 64.21 110.202 177.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 455' ' ' LYS . . . . . 0.457 ' HA ' ' HE3' ' W' ' 455' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 115.916 -0.584 . . . . 64.11 110.12 176.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo . . . . . 0 C--O 1.234 0.323 0 CA-C-O 120.635 0.181 . . . . 73.35 111.786 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' P' P ' 641' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -63.06 137.03 59.59 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.717 2.278 . . . . 74.42 112.31 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 642' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.39 153.55 77.6 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.96 2.44 . . . . 71.24 112.404 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -70.27 149.33 47.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.85 -0.614 . . . . 75.42 111.462 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -57.23 -40.47 77.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.557 -0.747 . . . . 72.51 110.494 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -62.94 -29.35 70.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.619 -0.719 . . . . 64.21 112.844 -177.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 14.0 t -95.65 -18.66 20.35 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.793 -0.363 . . . . 64.21 111.851 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 647' ' ' LEU . . . . . . . . . . . . . 4.5 pp -91.81 -25.65 18.9 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.634 -0.426 . . . . 75.35 110.823 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.534 0 C-N-CA 120.833 -0.699 . . . . 54.21 112.365 178.946 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' W' W ' 423' ' ' LEU . . . . . 0.433 ' HB3' ' HB2' ' W' ' 427' ' ' TRP . 3.7 mm? . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.441 0.162 . . . . 75.23 110.902 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 424' ' ' PRO . . . . . 0.674 ' HG2' ' CD1' ' W' ' 427' ' ' TRP . 33.7 Cg_endo -67.97 172.28 11.07 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.872 2.381 . . . . 63.54 112.428 178.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -49.33 126.51 13.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.414 -0.812 . . . . 71.21 112.427 -178.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 81.35 4.5 90.43 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.183 -0.917 . . . . 63.12 114.699 176.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 427' ' ' TRP . . . . . 0.674 ' CD1' ' HG2' ' W' ' 424' ' ' PRO . 63.2 m95 -101.36 124.93 47.83 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 118.296 1.048 . . . . 74.52 110.759 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -114.0 162.16 16.78 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.771 -0.825 . . . . 63.2 108.771 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 6.7 p -130.78 131.69 64.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 108.523 -0.917 . . . . 74.41 108.523 174.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 430' ' ' ARG . . . . . . . . . . . . . 44.4 ttt-85 -126.76 141.27 51.88 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.968 0.414 . . . . 72.32 110.621 -175.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -82.83 114.0 20.85 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.703 -0.851 . . . . 74.53 108.703 178.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 432' ' ' ALA . . . . . 0.456 ' HB2' ' CD1' ' W' ' 438' ' ' PHE . . . -74.72 153.0 87.25 Favored Pre-proline 0 C--N 1.326 -0.424 0 C-N-CA 120.719 -0.392 . . . . 63.2 110.274 -178.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -58.08 -20.55 46.37 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.012 2.474 . . . . 64.55 112.231 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -78.88 -13.2 59.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 53.01 110.811 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 109.03 -25.77 17.54 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.965 -0.636 . . . . 72.34 112.707 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 436' ' ' ARG . . . . . 0.48 ' HB3' ' CZ3' ' W' ' 449' ' ' TRP . 1.8 mmm-85 -84.38 125.41 71.98 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-O 120.719 0.295 . . . . 73.52 111.228 -179.547 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -71.36 135.64 27.15 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.477 2.118 . . . . 71.01 111.485 174.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 438' ' ' PHE . . . . . 0.456 ' CD1' ' HB2' ' W' ' 432' ' ' ALA . 40.5 p90 -125.05 152.7 43.94 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.625 -0.509 . . . . 64.03 109.625 178.174 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -94.46 140.43 29.84 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.983 0.421 . . . . 72.32 111.099 -176.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 440' ' ' ILE . . . . . 0.754 HG12 HG22 ' W' ' 447' ' ' THR . 45.4 mt -122.94 115.17 45.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.707 -0.679 . . . . 71.12 110.011 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 441' ' ' ASP . . . . . 0.533 ' OD2' HG22 ' W' ' 444' ' ' THR . 22.1 t70 -88.77 116.41 27.02 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.054 0.454 . . . . 74.33 110.798 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -72.7 -14.06 61.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.555 -0.748 . . . . 62.4 112.19 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -76.38 -57.57 3.79 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.119 -0.232 . . . . 70.23 111.578 -176.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 444' ' ' THR . . . . . 0.533 HG22 ' OD2' ' W' ' 441' ' ' ASP . 13.9 t -101.51 -2.51 30.49 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 121.192 -0.203 . . . . 62.05 111.216 -178.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 14.0 mptt 65.67 66.33 0.52 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.118 -0.492 . . . . 54.25 111.519 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 446' ' ' THR . . . . . 0.429 HG22 ' HB3' ' W' ' 441' ' ' ASP . 14.8 t -136.72 151.65 49.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.846 0.355 . . . . 71.22 111.08 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 447' ' ' THR . . . . . 0.754 HG22 HG12 ' W' ' 440' ' ' ILE . 23.2 p -117.83 129.33 55.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.894 -0.593 . . . . 54.43 109.493 177.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 14.7 t -140.55 161.32 38.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.132 0.491 . . . . 71.05 112.2 -176.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 449' ' ' TRP . . . . . 0.602 ' CZ2' ' HD3' ' P' ' 641' ' ' PRO . 97.8 m95 -99.17 -6.67 27.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.624 -0.716 . . . . 74.41 111.209 -178.552 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -103.94 129.37 51.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.894 -0.594 . . . . 75.15 111.385 -174.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 451' ' ' ASP . . . . . 0.425 ' HA ' ' HD3' ' W' ' 452' ' ' PRO . 5.3 t70 -67.15 132.53 93.56 Favored Pre-proline 0 C--O 1.237 0.438 0 CA-C-O 121.191 0.52 . . . . 72.23 111.769 175.494 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 452' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' W' ' 451' ' ' ASP . 44.0 Cg_endo -96.56 17.25 0.67 Allowed 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 124.093 3.195 . . . . 62.11 113.348 179.3 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 453' ' ' ARG . . . . . 0.489 ' HE ' ' HA ' ' W' ' 453' ' ' ARG . 2.1 mmp_? -93.37 -39.63 10.83 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.844 0.354 . . . . 74.33 110.476 178.54 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 454' ' ' LEU . . . . . 0.409 ' H ' ' HG ' ' W' ' 454' ' ' LEU . 3.4 pp -84.07 -1.97 55.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 71.24 111.376 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? . . . . . 0 C--N 1.322 -0.605 0 CA-C-N 115.822 -0.626 . . . . 74.13 109.846 179.198 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo . . . . . 0 C--O 1.235 0.343 0 N-CA-C 111.513 -0.226 . . . . 64.32 111.513 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' P' P ' 641' ' ' PRO . . . . . 0.602 ' HD3' ' CZ2' ' W' ' 449' ' ' TRP . 57.2 Cg_endo -70.54 145.41 52.59 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.429 2.086 . . . . 71.01 111.838 -178.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 642' ' ' PRO . . . . . 0.723 ' HG2' HD21 ' P' ' 647' ' ' LEU . 20.8 Cg_endo -62.45 170.11 7.23 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.842 2.361 . . . . 62.01 112.228 179.323 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -70.58 151.05 45.44 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.039 -0.528 . . . . 43.31 111.189 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 644' ' ' TYR . . . . . 0.445 ' HA ' HD12 ' P' ' 647' ' ' LEU . 86.7 t80 -59.78 -24.27 63.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.984 -0.553 . . . . 61.41 111.095 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -69.17 -18.53 63.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.887 -0.597 . . . . 75.4 112.185 -177.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 15.1 t -114.64 -0.5 13.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.553 0.692 . . . . 74.14 110.216 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' P' P ' 647' ' ' LEU . . . . . 0.723 HD21 ' HG2' ' P' ' 642' ' ' PRO . 63.9 mt -85.26 -6.86 59.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.676 -0.693 . . . . 74.33 111.051 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.877 -0.678 . . . . 62.12 111.937 179.81 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.568 0.223 . . . . 72.31 110.816 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' W' W ' 424' ' ' PRO . . . . . 0.515 ' HG2' ' CD1' ' W' ' 427' ' ' TRP . 28.8 Cg_endo -63.16 172.46 5.07 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 123.341 2.694 . . . . 63.3 113.153 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -43.18 119.8 1.66 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.096 -0.956 . . . . 55.01 113.033 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 83.75 -5.27 79.43 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 114.695 0.638 . . . . 24.43 114.695 175.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 427' ' ' TRP . . . . . 0.515 ' CD1' ' HG2' ' W' ' 424' ' ' PRO . 88.3 m95 -96.43 135.02 38.87 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 118.108 0.954 . . . . 64.12 111.057 -178.583 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -128.01 165.22 20.7 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.933 -1.136 . . . . 74.24 107.933 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 7.8 p -127.88 134.57 65.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 118.838 0.745 . . . . 73.42 110.35 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 430' ' ' ARG . . . . . 0.545 ' HB3' ' CE1' ' W' ' 438' ' ' PHE . 15.3 tpt180 -112.25 -154.28 0.54 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.441 -0.8 . . . . 73.35 110.153 -177.206 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 431' ' ' HIS . . . . . 0.538 ' H ' ' HG3' ' W' ' 430' ' ' ARG . 27.8 t-80 -152.19 115.2 4.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.756 0.313 . . . . 63.24 110.268 -169.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 432' ' ' ALA . . . . . 0.472 ' HB1' ' HD2' ' W' ' 433' ' ' PRO . . . -84.93 158.34 59.06 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.218 -0.446 . . . . 53.43 110.217 178.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 433' ' ' PRO . . . . . 0.472 ' HD2' ' HB1' ' W' ' 432' ' ' ALA . 22.8 Cg_endo -60.76 -15.26 36.57 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.257 2.638 . . . . 71.54 113.279 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -90.58 1.83 56.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.96 0.41 . . . . 73.44 110.36 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 83.03 16.91 68.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.004 -0.617 . . . . 73.12 111.592 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 436' ' ' ARG . . . . . . . . . . . . . 36.6 mmm-85 -101.06 131.35 23.37 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.53 -0.335 . . . . 73.11 110.572 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -83.71 130.39 5.1 Favored 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 122.332 2.021 . . . . 63.45 112.123 178.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 438' ' ' PHE . . . . . 0.545 ' CE1' ' HB3' ' W' ' 430' ' ' ARG . 38.3 p90 -120.86 150.94 40.27 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.354 -0.61 . . . . 75.23 109.354 175.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -98.34 140.39 32.68 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.268 0.556 . . . . 74.43 111.568 -174.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 440' ' ' ILE . . . . . 0.647 HG12 HG23 ' W' ' 447' ' ' THR . 34.6 mt -119.71 123.09 70.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.595 -0.729 . . . . 74.42 109.726 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 441' ' ' ASP . . . . . 0.516 ' OD2' HG22 ' W' ' 444' ' ' THR . 15.4 t70 -94.82 121.26 36.24 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.112 0.482 . . . . 73.1 110.988 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -77.9 -16.3 58.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.78 -0.645 . . . . 74.34 111.369 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -72.54 -57.5 4.11 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.179 0.437 . . . . 62.01 112.179 -175.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 444' ' ' THR . . . . . 0.516 HG22 ' OD2' ' W' ' 441' ' ' ASP . 15.0 t -103.9 10.13 36.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.882 0.372 . . . . 74.22 111.218 -177.13 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? 60.02 54.95 3.95 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.013 -0.539 . . . . 71.42 111.106 177.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 7.2 t -135.97 163.95 29.11 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.257 -0.577 . . . . 62.23 111.395 -178.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 447' ' ' THR . . . . . 0.647 HG23 HG12 ' W' ' 440' ' ' ILE . 7.5 m -128.54 140.8 51.61 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.282 -0.636 . . . . 51.31 109.282 177.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 9.6 t -151.48 166.87 29.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.28 0.562 . . . . 71.15 111.866 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -99.35 -7.07 26.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.439 -0.801 . . . . 73.5 109.81 178.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -76.91 149.98 36.01 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.365 -0.834 . . . . 61.1 111.236 -177.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -98.85 112.41 62.75 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-N 115.265 -0.88 . . . . 74.3 110.373 -177.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.3 -7.06 19.27 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.826 2.351 . . . . 70.14 113.598 -177.466 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 453' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -83.26 -43.06 16.48 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.081 -0.387 . . . . 73.35 111.955 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 2.7 pp -89.81 -10.05 46.91 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.447 0.536 . . . . 62.14 112.447 -175.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt . . . . . 0 C--N 1.325 -0.465 0 N-CA-C 110.124 -0.324 . . . . 55.13 110.124 178.639 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo . . . . . 0 C--O 1.237 0.437 0 CA-C-O 120.886 0.286 . . . . 70.24 112.216 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' P' P ' 641' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.23 153.01 40.42 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.796 2.331 . . . . 52.24 112.678 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 642' ' ' PRO . . . . . 0.608 ' HG2' ' HB3' ' P' ' 647' ' ' LEU . 59.4 Cg_endo -72.26 171.36 17.06 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.771 2.314 . . . . 51.23 112.205 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 643' ' ' ALA . . . . . 0.482 ' HB3' ' OG1' ' P' ' 646' ' ' THR . . . -68.81 156.6 38.09 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.209 -0.451 . . . . 73.55 110.484 178.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -58.63 -47.75 83.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.201 -0.454 . . . . 73.25 111.687 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -72.15 -19.52 61.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.278 0.561 . . . . 73.34 110.368 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' P' P ' 646' ' ' THR . . . . . 0.482 ' OG1' ' HB3' ' P' ' 643' ' ' ALA . 86.0 m -81.24 -40.41 23.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.364 -0.834 . . . . 71.44 111.185 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 647' ' ' LEU . . . . . 0.608 ' HB3' ' HG2' ' P' ' 642' ' ' PRO . 4.5 pp -80.38 -20.99 42.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.282 -0.417 . . . . 72.34 111.167 -178.558 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.768 -0.73 . . . . 62.23 112.359 179.663 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' W' W ' 423' ' ' LEU . . . . . 0.517 HD13 ' HD3' ' W' ' 453' ' ' ARG . 2.9 mm? . . . . . 0 N--CA 1.454 -0.231 0 N-CA-C 110.225 -0.287 . . . . 61.43 110.225 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 424' ' ' PRO . . . . . 0.473 ' HB2' ' CD1' ' W' ' 427' ' ' TRP . 35.8 Cg_exo -57.95 156.07 30.42 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.585 2.19 . . . . 74.41 111.008 177.054 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -76.35 108.52 9.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.248 0.546 . . . . 74.3 110.54 -176.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 130.1 -20.27 5.07 Favored Glycine 0 N--CA 1.444 -0.8 0 N-CA-C 111.005 -0.838 . . . . 72.14 111.005 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 427' ' ' TRP . . . . . 0.473 ' CD1' ' HB2' ' W' ' 424' ' ' PRO . 70.8 m95 -100.63 118.94 37.79 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.931 -0.396 . . . . 75.13 109.931 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -119.4 149.69 41.42 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.18 -0.674 . . . . 54.23 109.18 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 14.0 p -103.94 135.79 40.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-O 121.738 0.78 . . . . 63.43 111.889 -177.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 430' ' ' ARG . . . . . 0.583 ' HA ' ' HE ' ' W' ' 430' ' ' ARG . 0.6 OUTLIER -117.27 -156.13 0.62 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.856 -1.065 . . . . 72.53 110.427 -178.618 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -152.53 108.01 3.29 Favored 'General case' 0 CA--C 1.52 -0.183 0 O-C-N 122.1 -0.375 . . . . 72.25 110.592 -170.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -77.49 152.19 80.93 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 110.003 -0.369 . . . . 74.02 110.003 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.75 -25.29 41.83 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.966 2.444 . . . . 71.4 112.858 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -72.52 -4.49 30.87 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.391 -0.368 . . . . 74.43 111.698 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 84.49 23.0 52.47 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.784 -0.722 . . . . 75.24 111.583 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 436' ' ' ARG . . . . . 0.546 ' HD3' ' HD2' ' W' ' 437' ' ' PRO . 0.4 OUTLIER -117.79 122.31 30.8 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.466 -0.568 . . . . 64.53 109.466 -178.099 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' W' W ' 437' ' ' PRO . . . . . 0.546 ' HD2' ' HD3' ' W' ' 436' ' ' ARG . 3.7 Cg_exo -75.48 142.12 26.07 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.86 2.374 . . . . 42.35 111.978 178.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 438' ' ' PHE . . . . . 0.567 ' CE1' HD11 ' W' ' 440' ' ' ILE . 51.7 p90 -133.1 155.8 48.58 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.956 -0.387 . . . . 44.43 109.956 176.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -99.71 143.56 29.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.254 0.55 . . . . 62.24 111.273 -177.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 440' ' ' ILE . . . . . 0.609 HG13 HG22 ' W' ' 447' ' ' THR . 3.6 mp -120.04 127.53 75.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.387 -0.824 . . . . 53.12 110.423 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 441' ' ' ASP . . . . . 0.493 ' OD2' HG22 ' W' ' 444' ' ' THR . 19.9 t70 -91.53 112.33 24.2 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.193 -0.912 . . . . 73.23 109.565 177.46 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -79.85 -6.3 57.12 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.84 -0.618 . . . . 71.34 111.194 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -76.24 -57.13 4.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 64.22 111.304 -177.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 444' ' ' THR . . . . . 0.493 HG22 ' OD2' ' W' ' 441' ' ' ASP . 14.0 t -109.29 5.35 23.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.572 0.225 . . . . 65.12 111.415 -179.141 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp 66.62 66.47 0.45 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.085 -0.507 . . . . 70.24 111.948 176.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 15.2 t -141.95 154.92 45.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.86 0.362 . . . . 74.44 111.285 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 447' ' ' THR . . . . . 0.609 HG22 HG13 ' W' ' 440' ' ' ILE . 68.4 p -112.16 141.27 46.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.006 -0.543 . . . . 72.23 109.881 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 14.8 t -148.93 163.8 36.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.165 0.507 . . . . 70.24 111.588 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 449' ' ' TRP . . . . . 0.755 ' HZ2' ' HD3' ' P' ' 641' ' ' PRO . 82.9 m95 -105.33 -4.93 20.96 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.638 -0.71 . . . . 74.14 110.798 -178.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -86.53 155.08 20.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.806 -0.634 . . . . 70.31 110.786 -175.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 451' ' ' ASP . . . . . 0.49 ' HB3' ' HG ' ' W' ' 454' ' ' LEU . 11.1 t0 -98.19 116.45 65.57 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 109.204 -0.665 . . . . 71.52 109.204 -179.449 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.27 -14.19 37.21 Favored 'Trans proline' 0 CA--C 1.53 0.302 0 C-N-CA 122.61 2.206 . . . . 74.55 114.14 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 453' ' ' ARG . . . . . 0.517 ' HD3' HD13 ' W' ' 423' ' ' LEU . 82.8 mtm180 -80.86 -38.95 27.26 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.145 0.424 . . . . 71.44 112.145 -178.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 454' ' ' LEU . . . . . 0.49 ' HG ' ' HB3' ' W' ' 451' ' ' ASP . 3.7 pp -79.07 -3.71 46.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.222 0.534 . . . . 61.42 111.165 -178.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 455' ' ' LYS . . . . . 0.421 ' HG3' HD12 ' W' ' 454' ' ' LEU . 51.0 mtpt . . . . . 0 C--N 1.324 -0.539 0 N-CA-C 108.862 -0.792 . . . . 44.13 108.862 175.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo . . . . . 0 CA--C 1.531 0.364 0 N-CA-C 111.725 -0.144 . . . . 65.13 111.725 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' P' P ' 641' ' ' PRO . . . . . 0.755 ' HD3' ' HZ2' ' W' ' 449' ' ' TRP . 36.5 Cg_endo -64.98 130.76 26.73 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.204 1.936 . . . . 52.24 111.741 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 642' ' ' PRO . . . . . 0.441 ' HD2' ' HZ ' ' W' ' 438' ' ' PHE . 23.9 Cg_exo -63.93 169.68 10.0 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 123.36 2.707 . . . . 54.11 113.425 -178.204 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -74.05 157.1 36.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.611 -0.722 . . . . 62.4 110.769 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -55.78 -42.66 75.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.923 -0.581 . . . . 63.5 112.112 -176.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -67.37 -24.1 65.66 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.929 0.714 . . . . 51.43 112.929 -176.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 13.1 t -102.93 -17.06 15.66 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.393 -0.523 . . . . 70.24 112.216 -177.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 647' ' ' LEU . . . . . . . . . . . . . 3.9 pp -90.65 -5.21 56.11 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 121.929 -0.482 . . . . 63.21 111.358 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.295 0 C-N-CA 120.841 -0.695 . . . . 72.43 112.545 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' W' W ' 423' ' ' LEU . . . . . 0.554 ' HB3' ' HB2' ' W' ' 427' ' ' TRP . 2.8 mm? . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.393 0.14 . . . . 72.12 111.157 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.96 164.91 11.19 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.867 2.378 . . . . 74.14 111.864 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -58.27 106.98 0.43 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.736 0.779 . . . . 74.21 112.185 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 111.68 -3.7 27.64 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.489 -0.778 . . . . 75.21 111.709 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 427' ' ' TRP . . . . . 0.554 ' HB2' ' HB3' ' W' ' 423' ' ' LEU . 46.0 m95 -101.78 123.5 45.84 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.838 -0.43 . . . . 65.23 109.838 178.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -114.49 155.49 26.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.373 -0.376 . . . . 74.32 109.99 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 5.8 p -107.19 133.46 51.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.563 0.697 . . . . 74.14 110.618 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 430' ' ' ARG . . . . . 0.431 ' HD2' ' HA ' ' W' ' 430' ' ' ARG . 0.9 OUTLIER -114.29 -155.06 0.56 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.378 -0.828 . . . . 64.15 111.508 -176.614 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -152.68 108.42 3.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.952 -0.567 . . . . 73.34 109.857 -172.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -87.51 150.31 48.48 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.23 -0.441 . . . . 65.52 110.393 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.67 -31.62 51.07 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.3 2.667 . . . . 65.42 113.488 -178.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -68.38 -14.44 63.0 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 111.882 0.327 . . . . 70.3 111.882 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 99.49 22.97 11.58 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.61 -0.805 . . . . 61.42 112.469 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 436' ' ' ARG . . . . . 0.443 ' HA ' ' HD3' ' W' ' 437' ' ' PRO . 26.8 mmm180 -114.82 133.29 22.62 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 120.563 0.22 . . . . 74.55 110.484 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 437' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' W' ' 436' ' ' ARG . 5.2 Cg_endo -84.97 98.88 0.69 Allowed 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.762 2.308 . . . . 72.11 111.985 178.318 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -88.84 143.18 27.06 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.045 -0.354 . . . . 72.14 110.045 179.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -90.39 152.05 21.16 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.95 -178.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 440' ' ' ILE . . . . . 0.798 HG12 HG22 ' W' ' 447' ' ' THR . 47.1 mt -127.08 124.04 63.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.752 -0.658 . . . . 53.11 110.769 -178.074 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 441' ' ' ASP . . . . . 0.467 ' HB3' HG22 ' W' ' 446' ' ' THR . 8.7 t70 -90.91 116.59 28.85 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.018 -0.537 . . . . 74.55 109.988 178.349 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -76.06 -13.12 60.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.403 -0.362 . . . . 73.21 111.923 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -69.59 -56.53 7.06 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.758 0.281 . . . . 64.01 111.758 -177.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 444' ' ' THR . . . . . 0.45 HG22 ' OD2' ' W' ' 441' ' ' ASP . 14.2 t -111.51 6.69 20.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.954 0.407 . . . . 72.42 110.735 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 445' ' ' LYS . . . . . 0.454 ' HE2' ' HB2' ' W' ' 445' ' ' LYS . 3.7 mppt? 57.43 64.66 1.53 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.463 -0.789 . . . . 74.3 111.309 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 446' ' ' THR . . . . . 0.467 HG22 ' HB3' ' W' ' 441' ' ' ASP . 14.6 t -129.88 150.22 51.26 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.938 -0.573 . . . . 74.02 109.93 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 447' ' ' THR . . . . . 0.798 HG22 HG12 ' W' ' 440' ' ' ILE . 8.1 p -110.45 140.72 44.43 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.555 -0.293 . . . . 75.43 110.315 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 11.3 t -136.8 142.73 42.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.412 0.625 . . . . 63.31 111.626 -178.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -96.98 -7.4 33.16 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.494 -0.775 . . . . 74.53 109.254 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -90.46 154.47 19.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.237 -1.347 . . . . 73.03 109.67 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -91.86 124.62 59.81 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.351 . . . . 64.51 111.154 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -84.04 -7.6 10.17 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.784 2.323 . . . . 53.32 113.502 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 453' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -77.74 -48.73 15.93 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.604 0.594 . . . . 72.14 112.604 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 4.5 pp -77.99 -14.9 59.36 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.06 0.393 . . . . 61.02 112.06 -176.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt . . . . . 0 C--N 1.324 -0.535 0 N-CA-C 109.465 -0.569 . . . . 72.4 109.465 177.485 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' P' P ' 640' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' P' ' 641' ' ' PRO . 15.5 Cg_endo . . . . . 0 N--CA 1.461 -0.385 0 CA-C-O 121.058 0.357 . . . . 74.25 111.884 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 641' ' ' PRO . . . . . 0.516 ' HA ' ' HD3' ' P' ' 642' ' ' PRO . 72.7 Cg_endo -87.07 152.46 8.28 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 122.847 2.364 . . . . 74.24 112.329 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 642' ' ' PRO . . . . . 0.516 ' HD3' ' HA ' ' P' ' 641' ' ' PRO . 12.6 Cg_exo -71.33 167.54 25.97 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.187 2.591 . . . . 73.04 112.401 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -76.2 171.56 14.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 64.34 111.41 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -63.49 -47.36 82.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.689 -0.687 . . . . 74.13 111.675 -176.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -71.84 -17.05 62.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.381 0.61 . . . . 70.05 110.323 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 42.1 m -78.38 -33.26 48.98 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.299 -0.864 . . . . 74.01 110.345 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 647' ' ' LEU . . . . . . . . . . . . . 4.3 pp -97.62 -17.55 19.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.942 -0.572 . . . . 70.01 111.627 -177.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.756 -0.735 . . . . 70.5 112.582 179.34 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--O 1.234 0.269 0 CA-C-O 120.73 0.3 . . . . 72.21 111.241 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -63.39 155.74 60.39 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.425 2.083 . . . . 75.32 110.633 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 425' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' W' ' 425' ' ' LYS . 24.5 tptp -66.94 107.91 2.4 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.011 0.434 . . . . 71.24 110.782 -175.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 126.9 -10.44 7.05 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.838 -0.696 . . . . 44.53 111.939 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 427' ' ' TRP . . . . . . . . . . . . . 48.3 m95 -85.85 170.82 12.03 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.116 0.484 . . . . 63.12 111.567 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 428' ' ' GLU . . . . . 0.664 ' HB3' ' HB ' ' W' ' 440' ' ' ILE . 11.0 tp10 -148.52 140.37 23.79 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.343 -0.984 . . . . 74.25 108.343 -175.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 64.6 t -103.19 135.55 40.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.129 -0.693 . . . . 73.23 109.129 177.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 430' ' ' ARG . . . . . 0.476 ' HA ' ' NE ' ' W' ' 430' ' ' ARG . 0.2 OUTLIER -127.93 -161.33 1.08 Allowed 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.837 -0.345 . . . . 74.43 110.379 -179.056 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' W' W ' 431' ' ' HIS . . . . . 0.432 ' HA ' ' HA ' ' W' ' 437' ' ' PRO . 42.7 m80 -155.97 131.52 9.61 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.171 -0.307 . . . . 72.13 110.171 -170.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -94.95 150.07 37.22 Favored Pre-proline 0 C--N 1.318 -0.79 0 N-CA-C 108.705 -0.85 . . . . 71.15 108.705 174.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -57.47 -16.43 23.48 Favored 'Trans proline' 0 N--CA 1.473 0.323 0 C-N-CA 122.96 2.44 . . . . 75.24 112.774 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -82.18 -9.16 59.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 71.43 111.181 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 105.57 -16.74 44.0 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.813 -0.708 . . . . 65.11 112.862 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 436' ' ' ARG . . . . . 0.498 ' HA ' ' HD3' ' W' ' 437' ' ' PRO . 18.9 mmm180 -82.88 122.88 78.28 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-O 120.843 0.354 . . . . 44.24 111.292 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 437' ' ' PRO . . . . . 0.498 ' HD3' ' HA ' ' W' ' 436' ' ' ARG . 3.6 Cg_exo -81.12 141.05 12.77 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 123.255 2.637 . . . . 71.21 112.027 178.244 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -124.82 162.05 25.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.887 -0.412 . . . . 72.32 109.887 177.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -105.39 146.94 28.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.18 -0.463 . . . . 73.32 111.335 -175.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 440' ' ' ILE . . . . . 0.889 HG12 HG22 ' W' ' 447' ' ' THR . 49.1 mt -127.21 146.87 32.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.401 -0.818 . . . . 73.43 109.949 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 441' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -114.88 124.24 51.22 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.211 -0.292 . . . . 72.41 110.211 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 442' ' ' HIS . . . . . 0.55 ' NE2' ' HB2' ' W' ' 428' ' ' GLU . 57.4 m170 -72.8 -21.89 60.91 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.288 0.477 . . . . 75.22 112.288 -178.463 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -72.02 -58.11 3.72 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.244 0.461 . . . . 70.05 112.244 -173.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 444' ' ' THR . . . . . . . . . . . . . 14.9 t -101.57 -4.67 26.25 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 121.126 -0.23 . . . . 72.11 111.186 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm 65.29 64.63 0.6 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.967 -0.56 . . . . 73.34 111.172 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 15.1 t -132.47 156.96 45.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.259 -0.428 . . . . 64.11 110.913 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 447' ' ' THR . . . . . 0.889 HG22 HG12 ' W' ' 440' ' ' ILE . 32.1 p -120.92 145.28 47.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.999 -0.546 . . . . 63.24 109.781 178.456 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 9.9 t -146.94 154.16 40.95 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.238 0.542 . . . . 73.11 111.949 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -99.57 -7.98 25.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.293 -0.867 . . . . 75.52 109.44 176.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -86.2 146.88 26.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.381 -0.827 . . . . 72.45 109.365 -177.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -85.55 118.66 71.1 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.503 -0.317 . . . . 71.43 110.376 -175.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.93 -12.3 26.03 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.795 2.33 . . . . 51.04 113.418 -177.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 453' ' ' ARG . . . . . 0.482 ' HA ' ' NE ' ' W' ' 453' ' ' ARG . 4.7 mmp_? -92.33 -36.03 13.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.998 -0.439 . . . . 74.43 111.728 177.321 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 91.0 mt -79.4 -29.27 41.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.442 0.639 . . . . 71.32 109.861 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm . . . . . 0 C--N 1.322 -0.591 0 CA-C-N 115.193 -0.912 . . . . 74.11 108.79 177.615 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo . . . . . 0 C--O 1.234 0.289 0 CA-C-O 120.723 0.218 . . . . 64.12 112.343 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' P' P ' 641' ' ' PRO . . . . . 0.438 ' HA ' ' HD2' ' P' ' 642' ' ' PRO . 53.9 Cg_endo -72.66 127.52 12.48 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.285 1.99 . . . . 74.42 112.277 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 642' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' P' ' 641' ' ' PRO . 26.6 Cg_endo -61.89 153.42 68.42 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.692 2.261 . . . . 70.33 111.997 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 643' ' ' ALA . . . . . 0.546 ' O ' HG22 ' P' ' 646' ' ' THR . . . -64.98 143.23 58.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.173 -0.467 . . . . 61.4 111.208 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -63.2 -29.67 70.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.251 -0.432 . . . . 73.34 110.646 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -71.79 -12.78 61.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.959 -0.564 . . . . 63.23 112.477 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' P' P ' 646' ' ' THR . . . . . 0.546 HG22 ' O ' ' P' ' 643' ' ' ALA . 14.4 t -108.77 -12.85 14.87 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.479 -0.488 . . . . 75.32 111.18 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 647' ' ' LEU . . . . . 0.465 HD22 ' HG2' ' W' ' 430' ' ' ARG . 4.5 pp -104.49 -17.94 14.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.992 0.425 . . . . 70.3 110.894 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.422 0 C-N-CA 121.039 -0.601 . . . . 71.05 111.961 179.283 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' W' W ' 423' ' ' LEU . . . . . 0.586 ' HB3' ' HB2' ' W' ' 427' ' ' TRP . 3.1 mm? . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.708 0.289 . . . . 64.42 111.428 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -64.6 173.24 5.71 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.943 2.428 . . . . 70.2 111.291 176.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -71.61 109.85 5.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.326 0.584 . . . . 74.33 110.291 -176.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 122.63 -30.79 5.02 Favored Glycine 0 N--CA 1.441 -0.993 0 CA-C-N 115.559 -0.746 . . . . 73.45 111.238 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' W' W ' 427' ' ' TRP . . . . . 0.586 ' HB2' ' HB3' ' W' ' 423' ' ' LEU . 70.7 m95 -81.82 170.76 15.31 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.58 0.228 . . . . 55.33 110.606 179.132 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 428' ' ' GLU . . . . . 0.559 ' HB3' ' HB ' ' W' ' 440' ' ' ILE . 12.2 tp10 -155.41 164.57 38.55 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.209 -1.034 . . . . 70.5 108.209 -175.456 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 429' ' ' VAL . . . . . 0.449 ' HB ' HD21 ' W' ' 423' ' ' LEU . 13.6 p -125.98 138.92 53.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 118.378 0.535 . . . . 73.22 110.805 175.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 430' ' ' ARG . . . . . 0.516 ' HG3' ' H ' ' W' ' 431' ' ' HIS . 12.4 tpt180 -120.83 -159.68 0.81 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.703 -0.851 . . . . 75.54 108.703 -179.127 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 431' ' ' HIS . . . . . 0.516 ' H ' ' HG3' ' W' ' 430' ' ' ARG . 29.9 m80 -154.16 115.14 4.04 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.563 -0.532 . . . . 62.23 109.563 -173.189 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -79.58 149.13 71.04 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 109.909 -0.404 . . . . 61.43 109.909 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.53 -28.6 46.03 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.17 2.58 . . . . 65.53 112.763 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -70.35 -8.35 49.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.965 -0.561 . . . . 65.13 111.812 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 92.37 24.81 23.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.166 -1.016 . . . . 70.31 111.292 -178.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' W' W ' 436' ' ' ARG . . . . . . . . . . . . . 22.0 tpt180 -117.53 114.68 37.97 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.527 -0.337 . . . . 61.03 110.222 -176.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.14 112.66 3.58 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.296 1.997 . . . . 53.33 112.532 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -106.21 147.6 28.89 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.112 -0.699 . . . . 65.43 109.112 176.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' W' W ' 439' ' ' PHE . . . . . 0.511 ' HB2' HG23 ' W' ' 448' ' ' THR . 45.2 m-85 -89.56 158.81 17.5 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.445 0.64 . . . . 72.41 111.653 -176.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 440' ' ' ILE . . . . . 0.804 HG12 HG22 ' W' ' 447' ' ' THR . 35.5 mt -129.58 152.54 37.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.191 -0.913 . . . . 71.12 108.801 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 441' ' ' ASP . . . . . 0.613 ' OD2' HG22 ' W' ' 444' ' ' THR . 25.4 t70 -117.15 126.38 52.71 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 121.083 -0.247 . . . . 73.22 110.564 176.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -78.59 -22.99 46.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.795 -0.184 . . . . 65.05 111.007 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -66.8 -57.89 6.16 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.674 0.273 . . . . 52.21 111.017 -175.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' W' W ' 444' ' ' THR . . . . . 0.732 HG23 HG22 ' W' ' 446' ' ' THR . 9.0 t -95.48 -6.11 41.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.003 0.43 . . . . 75.21 110.136 178.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm 66.1 29.83 9.74 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.233 0.827 . . . . 61.02 113.233 174.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' W' W ' 446' ' ' THR . . . . . 0.732 HG22 HG23 ' W' ' 444' ' ' THR . 11.8 t -115.62 -178.86 3.49 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.674 -0.491 . . . . 61.02 109.674 177.376 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 447' ' ' THR . . . . . 0.804 HG22 HG12 ' W' ' 440' ' ' ILE . 3.0 p -109.32 153.68 23.57 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.931 -0.396 . . . . 62.3 109.931 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 448' ' ' THR . . . . . 0.511 HG23 ' HB2' ' W' ' 439' ' ' PHE . 8.4 t -133.71 134.34 42.92 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.986 0.422 . . . . 72.0 111.135 -176.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 449' ' ' TRP . . . . . 0.414 ' HE1' ' HD3' ' P' ' 641' ' ' PRO . 49.9 m95 -94.09 -15.89 24.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.323 -0.399 . . . . 72.33 110.621 178.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -88.95 154.22 20.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.329 0.585 . . . . 74.34 110.339 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -86.33 120.89 72.51 Favored Pre-proline 0 C--N 1.316 -0.861 0 CA-C-N 115.219 -0.901 . . . . 74.44 112.55 -173.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' W' W ' 452' ' ' PRO . . . . . 0.495 ' HG2' HD12 ' W' ' 423' ' ' LEU . 97.3 Cg_endo -93.55 21.34 0.63 Allowed 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.711 2.941 . . . . 72.12 112.5 177.239 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 453' ' ' ARG . . . . . 0.794 ' NE ' ' HA ' ' W' ' 453' ' ' ARG . 2.5 mmp_? -101.01 -47.72 4.67 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.255 -0.884 . . . . 74.23 110.815 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 85.4 mt -85.77 5.55 31.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.104 -0.953 . . . . 74.23 110.49 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt . . . . . 0 C--N 1.325 -0.461 0 N-CA-C 109.202 -0.666 . . . . 52.22 109.202 179.204 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo . . . . . 0 N--CA 1.461 -0.434 0 CA-C-O 120.768 0.237 . . . . 43.31 111.522 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' P' P ' 641' ' ' PRO . . . . . 0.453 ' HA ' ' HD3' ' P' ' 642' ' ' PRO . 69.2 Cg_endo -76.33 138.72 20.23 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 122.345 2.03 . . . . 72.34 111.715 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 642' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' P' ' 641' ' ' PRO . 34.6 Cg_exo -61.31 154.53 57.74 Favored 'Trans proline' 0 CA--C 1.527 0.149 0 C-N-CA 122.807 2.338 . . . . 74.24 112.224 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 643' ' ' ALA . . . . . 0.47 ' O ' ' HG ' ' P' ' 647' ' ' LEU . . . -80.9 164.16 22.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.465 -0.334 . . . . 53.1 110.463 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -65.26 -15.61 62.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 74.51 111.376 -177.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -71.75 -34.34 69.41 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.468 -0.333 . . . . 73.11 111.665 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 14.5 t -94.73 -26.68 16.18 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.882 -0.327 . . . . 70.14 111.665 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' P' P ' 647' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' P' ' 643' ' ' ALA . 4.2 pp -101.4 7.06 42.79 Favored 'General case' 0 C--N 1.332 -0.175 0 O-C-N 122.025 -0.422 . . . . 74.34 111.399 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.409 0 C-N-CA 120.648 -0.787 . . . . 63.42 112.496 -179.64 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.108 -0.331 . . . . 74.45 110.108 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' W' W ' 424' ' ' PRO . . . . . 0.49 ' HG2' ' CD1' ' W' ' 427' ' ' TRP . 12.6 Cg_endo -58.0 161.69 12.74 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.601 2.201 . . . . 54.24 111.049 176.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -77.17 117.23 18.5 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.302 -0.559 . . . . 52.31 110.115 -175.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 124.62 -27.89 5.36 Favored Glycine 0 N--CA 1.442 -0.921 0 CA-C-N 115.276 -0.874 . . . . 65.44 110.953 -177.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 427' ' ' TRP . . . . . 0.519 ' HA ' ' O ' ' W' ' 440' ' ' ILE . 65.1 m95 -97.0 116.59 29.48 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.788 -0.449 . . . . 71.35 109.788 178.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -114.47 153.95 29.04 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.853 -0.339 . . . . 70.13 110.354 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 57.7 t -93.52 125.09 46.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.187 -0.461 . . . . 50.4 110.722 -178.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 430' ' ' ARG . . . . . 0.509 ' HG3' ' H ' ' W' ' 431' ' ' HIS . 11.5 tpt180 -109.42 -158.21 0.64 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.508 -0.315 . . . . 72.51 110.246 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 431' ' ' HIS . . . . . 0.509 ' H ' ' HG3' ' W' ' 430' ' ' ARG . 3.5 m80 -153.07 121.08 6.13 Favored 'General case' 0 C--N 1.331 -0.216 0 O-C-N 122.197 -0.314 . . . . 74.13 111.327 -171.24 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -97.5 159.08 31.97 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 109.292 -0.633 . . . . 63.02 109.292 175.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.86 -26.65 49.36 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.751 2.301 . . . . 73.45 113.003 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -75.22 -8.82 57.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.365 -0.38 . . . . 71.31 111.494 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 90.22 9.21 65.61 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 110.681 -0.968 . . . . 52.05 110.681 -176.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 436' ' ' ARG . . . . . 0.476 ' HA ' ' HD3' ' W' ' 437' ' ' PRO . 15.7 mmm180 -90.0 119.03 69.36 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 114.846 -0.677 . . . . 72.21 110.798 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 437' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' W' ' 436' ' ' ARG . 3.3 Cg_exo -81.49 116.63 2.97 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 122.981 2.454 . . . . 64.12 112.165 178.262 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 438' ' ' PHE . . . . . 0.47 ' HB3' ' CZ3' ' W' ' 449' ' ' TRP . 53.6 p90 -99.64 158.15 15.97 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.502 -0.479 . . . . 61.2 109.882 176.369 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -98.05 132.85 43.24 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.554 0.692 . . . . 63.43 111.64 -175.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 440' ' ' ILE . . . . . 0.531 HG12 HG22 ' W' ' 447' ' ' THR . 55.9 mt -105.84 121.92 58.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 114.86 -1.064 . . . . 63.44 109.987 178.611 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 441' ' ' ASP . . . . . 0.501 ' OD2' HG22 ' W' ' 444' ' ' THR . 11.9 t70 -97.53 117.74 32.48 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.975 0.417 . . . . 74.35 110.896 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -79.78 -23.05 42.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.084 -0.507 . . . . 73.01 111.381 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -58.31 -57.26 13.67 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.298 -0.41 . . . . 75.2 111.564 -175.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 444' ' ' THR . . . . . 0.501 HG22 ' OD2' ' W' ' 441' ' ' ASP . 9.0 t -106.97 -1.57 22.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.066 0.46 . . . . 61.43 110.07 178.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 27.2 mtmm 64.04 65.94 0.67 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.549 -0.75 . . . . 51.44 111.576 178.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 6.2 t -141.96 168.57 19.44 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.982 -1.008 . . . . 55.25 109.708 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 447' ' ' THR . . . . . 0.531 HG22 HG12 ' W' ' 440' ' ' ILE . 6.7 p -123.85 138.39 54.5 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.393 -0.225 . . . . 73.5 110.393 178.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 13.4 t -143.47 164.43 30.36 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.402 -0.519 . . . . 73.03 111.924 -177.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 449' ' ' TRP . . . . . 0.47 ' CZ3' ' HB3' ' W' ' 438' ' ' PHE . 95.9 m95 -102.87 -9.25 20.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.575 -0.739 . . . . 70.43 111.26 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -82.65 147.06 28.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.915 0.388 . . . . 54.31 110.411 -178.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 451' ' ' ASP . . . . . 0.57 ' O ' ' HG2' ' W' ' 455' ' ' LYS . 5.6 t70 -90.8 119.95 68.87 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.685 -0.689 . . . . 72.14 112.196 -176.429 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -84.22 28.13 0.58 Allowed 'Trans proline' 0 CA--C 1.532 0.402 0 C-N-CA 122.996 2.464 . . . . 72.31 112.122 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 453' ' ' ARG . . . . . 0.785 ' HA ' ' NE ' ' W' ' 453' ' ' ARG . 4.1 mmp_? -105.4 -54.18 2.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.56 -0.746 . . . . 75.42 110.88 -179.381 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 454' ' ' LEU . . . . . 0.488 ' HG ' ' OD2' ' W' ' 451' ' ' ASP . 3.9 pp -93.12 -24.86 18.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.566 -0.743 . . . . 75.53 112.098 -178.405 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 455' ' ' LYS . . . . . 0.57 ' HG2' ' O ' ' W' ' 451' ' ' ASP . 19.9 ptmt . . . . . 0 C--N 1.324 -0.525 0 C-N-CA 120.606 -0.438 . . . . 54.21 110.186 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo . . . . . 0 CA--C 1.53 0.309 0 CA-C-O 120.872 0.28 . . . . 45.1 112.21 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' P' P ' 641' ' ' PRO . . . . . 0.514 ' HA ' ' HD3' ' P' ' 642' ' ' PRO . 76.6 Cg_endo -78.7 147.66 22.13 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.92 2.413 . . . . 72.44 112.627 -178.699 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 642' ' ' PRO . . . . . 0.514 ' HD3' ' HA ' ' P' ' 641' ' ' PRO . 21.3 Cg_exo -65.29 163.67 28.47 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.948 2.432 . . . . 75.44 112.417 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -66.56 150.15 49.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.846 -0.616 . . . . 75.32 111.198 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -56.47 -36.91 69.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.744 -0.662 . . . . 75.22 111.372 -178.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -76.77 -12.87 60.04 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.727 0.639 . . . . 72.25 112.727 -177.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 4.8 t -117.72 -14.24 10.17 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.123 -0.631 . . . . 50.03 112.417 -176.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 647' ' ' LEU . . . . . . . . . . . . . 3.9 pp -79.15 -15.04 58.7 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.878 0.371 . . . . 74.23 111.054 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.524 0 CA-C-N 115.909 -0.587 . . . . 73.33 111.674 -179.616 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' W' W ' 423' ' ' LEU . . . . . 0.737 ' HB3' ' HB2' ' W' ' 427' ' ' TRP . 3.3 mm? . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 110.354 -0.239 . . . . 74.12 110.354 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -60.13 159.88 24.61 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.471 2.114 . . . . 74.13 111.133 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 3.1 tpmt? -53.34 104.2 0.09 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.393 0.616 . . . . 64.43 112.374 -177.589 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 116.5 -3.88 19.85 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.325 -0.852 . . . . 74.22 112.214 173.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 427' ' ' TRP . . . . . 0.737 ' HB2' ' HB3' ' W' ' 423' ' ' LEU . 46.7 m95 -94.65 152.64 18.33 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.635 -0.506 . . . . 63.25 109.635 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -145.33 158.81 43.75 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.566 -0.902 . . . . 73.35 108.566 -177.72 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 9.0 p -121.57 131.01 74.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 118.663 0.665 . . . . 75.4 109.986 178.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 430' ' ' ARG . . . . . 0.474 ' HD2' HD11 ' W' ' 440' ' ' ILE . 12.9 ttt-85 -113.83 -154.05 0.54 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.253 0.549 . . . . 54.23 112.115 -175.606 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -151.34 112.56 4.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.316 -0.856 . . . . 72.25 109.404 -170.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -85.49 153.84 58.97 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.994 -0.373 . . . . 74.2 109.994 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -57.86 -21.42 48.79 Favored 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 122.875 2.383 . . . . 64.2 112.727 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -79.42 -8.01 58.81 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.303 -0.408 . . . . 64.44 111.078 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 90.49 22.99 32.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.055 -0.593 . . . . 72.52 111.85 -178.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 436' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' W' ' 436' ' ' ARG . 10.1 mmm180 -109.86 136.86 20.34 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 120.686 0.279 . . . . 72.13 110.759 -179.124 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 437' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' W' ' 436' ' ' ARG . 37.7 Cg_endo -86.97 125.67 2.32 Favored 'Trans proline' 0 N--CA 1.448 -1.163 0 C-N-CA 122.636 2.224 . . . . 55.31 111.749 176.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -122.78 144.91 48.86 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.723 -0.473 . . . . 75.31 109.723 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -90.18 142.43 27.73 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.958 -0.565 . . . . 73.25 111.157 -177.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 440' ' ' ILE . . . . . 0.769 HD13 HD13 ' P' ' 647' ' ' LEU . 40.2 mt -119.97 118.28 56.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.48 -0.782 . . . . 75.14 109.892 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 441' ' ' ASP . . . . . 0.592 ' OD2' HG22 ' W' ' 444' ' ' THR . 12.3 t70 -95.81 120.14 35.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.379 0.609 . . . . 73.23 110.753 179.109 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -82.2 -7.19 59.62 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.25 -0.886 . . . . 73.22 111.51 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -84.28 -58.03 2.92 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.655 0.264 . . . . 72.14 111.563 -177.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 444' ' ' THR . . . . . 0.592 HG22 ' OD2' ' W' ' 441' ' ' ASP . 4.2 t -95.54 -0.67 51.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.118 0.485 . . . . 75.41 110.291 -178.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt 63.09 65.56 0.78 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.344 -0.844 . . . . 71.1 111.686 175.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 5.7 t -151.88 167.95 26.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.856 0.36 . . . . 71.23 111.159 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 447' ' ' THR . . . . . 0.556 HG22 HG12 ' W' ' 440' ' ' ILE . 20.8 p -120.25 145.59 46.9 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.336 -0.616 . . . . 61.21 109.336 177.486 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 448' ' ' THR . . . . . 0.526 ' OG1' ' HG2' ' W' ' 450' ' ' GLU . 14.5 t -141.24 156.29 45.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.236 0.541 . . . . 71.1 111.939 -178.495 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -105.56 -6.7 19.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.172 -0.922 . . . . 73.32 110.782 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 450' ' ' GLU . . . . . 0.526 ' HG2' ' OG1' ' W' ' 448' ' ' THR . 11.3 pt-20 -99.23 161.83 13.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.963 -0.562 . . . . 61.34 110.849 -176.611 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -89.44 123.97 65.53 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.225 -0.443 . . . . 72.41 110.787 -174.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -84.76 -8.3 9.3 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 122.701 2.267 . . . . 72.11 113.858 -178.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 453' ' ' ARG . . . . . 0.706 ' HE ' ' HA ' ' W' ' 453' ' ' ARG . 2.4 mmp_? -94.82 -24.13 17.19 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.998 -0.439 . . . . 74.14 111.947 178.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 75.7 mt -77.06 -16.39 59.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.166 0.508 . . . . 73.33 110.465 177.131 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 115.765 -0.652 . . . . 73.42 109.806 -178.44 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo . . . . . 0 C--O 1.235 0.353 0 CA-C-O 120.84 0.267 . . . . 70.45 112.334 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' P' P ' 641' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -70.16 162.41 42.37 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.347 2.032 . . . . 74.42 111.628 178.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 642' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.65 169.49 4.28 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.817 2.345 . . . . 64.24 112.933 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 643' ' ' ALA . . . . . 0.451 ' O ' HG22 ' P' ' 646' ' ' THR . . . -64.37 145.17 56.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.943 -0.572 . . . . 72.54 111.254 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -55.41 -39.38 70.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.062 -0.517 . . . . 74.42 111.35 -178.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -64.83 -26.6 68.41 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.554 0.576 . . . . 75.15 112.554 -177.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' P' P ' 646' ' ' THR . . . . . 0.451 HG22 ' O ' ' P' ' 643' ' ' ALA . 6.3 t -99.16 -2.44 36.85 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.626 -0.43 . . . . 71.41 111.288 -177.263 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 647' ' ' LEU . . . . . 0.769 HD13 HD13 ' W' ' 440' ' ' ILE . 3.6 pp -116.87 -10.41 11.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.83 0.348 . . . . 74.32 111.224 178.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 C-N-CA 121.053 -0.594 . . . . 73.41 111.803 -179.585 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' W' W ' 423' ' ' LEU . . . . . 0.485 HD11 ' CE1' ' W' ' 439' ' ' PHE . 2.7 mm? . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.473 0.178 . . . . 72.11 110.98 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.2 165.69 8.51 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.632 2.222 . . . . 75.22 111.402 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -71.97 107.52 4.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.173 0.511 . . . . 73.11 110.31 -177.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 129.76 -21.16 5.06 Favored Glycine 0 N--CA 1.441 -1.025 0 N-CA-C 110.386 -1.086 . . . . 34.25 110.386 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 427' ' ' TRP . . . . . 0.408 ' HB2' ' HB3' ' W' ' 423' ' ' LEU . 53.8 m95 -102.59 128.28 49.32 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.04 -0.356 . . . . 64.52 110.04 178.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -113.66 165.6 12.37 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.4 -0.963 . . . . 73.14 108.4 177.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 11.7 p -124.88 137.57 57.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.441 0.638 . . . . 51.33 110.866 177.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 430' ' ' ARG . . . . . 0.529 ' HG2' ' H ' ' W' ' 431' ' ' HIS . 13.0 ttt180 -123.92 -153.18 0.54 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.671 -0.695 . . . . 71.34 110.415 -178.255 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 431' ' ' HIS . . . . . 0.529 ' H ' ' HG2' ' W' ' 430' ' ' ARG . 18.9 m80 -153.75 125.28 7.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.723 0.297 . . . . 74.12 110.657 -168.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -100.87 155.87 35.81 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.996 -0.547 . . . . 55.24 109.745 177.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.77 -25.34 51.13 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.984 2.456 . . . . 73.4 113.111 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -72.64 -12.27 60.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.277 -0.419 . . . . 63.45 111.118 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 97.95 1.76 58.43 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 111.407 -0.677 . . . . 71.51 111.407 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 436' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -86.56 131.19 46.43 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.484 -0.358 . . . . 73.11 110.961 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -87.8 99.14 0.44 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 122.532 2.155 . . . . 70.22 111.439 176.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -86.28 143.15 28.06 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.545 -0.539 . . . . 75.23 109.545 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 439' ' ' PHE . . . . . 0.485 ' CE1' HD11 ' W' ' 423' ' ' LEU . 44.8 m-85 -93.23 151.05 20.05 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.844 -0.616 . . . . 73.3 110.671 -177.398 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 440' ' ' ILE . . . . . 0.771 HG12 HG22 ' W' ' 447' ' ' THR . 22.4 mt -124.97 120.54 58.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.03 -0.532 . . . . 71.43 109.902 -178.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 441' ' ' ASP . . . . . 0.417 ' OD2' HG22 ' W' ' 444' ' ' THR . 9.1 t70 -90.52 120.48 31.65 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.91 0.386 . . . . 72.04 111.224 -178.624 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -77.75 -10.44 59.54 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.03 -0.532 . . . . 71.31 112.402 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -73.78 -57.01 4.27 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.749 -0.38 . . . . 70.4 111.242 -177.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 444' ' ' THR . . . . . 0.417 HG22 ' OD2' ' W' ' 441' ' ' ASP . 9.1 t -104.51 0.24 28.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.056 0.455 . . . . 72.5 110.451 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.72 64.49 1.03 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.581 -0.736 . . . . 62.43 111.686 178.182 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 14.8 t -141.96 165.79 26.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.195 -0.457 . . . . 73.42 110.365 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 447' ' ' THR . . . . . 0.771 HG22 HG12 ' W' ' 440' ' ' ILE . 8.8 p -113.01 143.14 44.82 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.335 -0.393 . . . . 73.22 110.485 178.476 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 11.6 t -136.86 157.53 46.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.028 0.442 . . . . 72.1 110.792 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 449' ' ' TRP . . . . . 0.582 ' CZ2' ' HD3' ' P' ' 641' ' ' PRO . 94.0 m95 -104.4 -7.34 19.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.101 -0.5 . . . . 74.24 110.949 -179.248 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -93.03 155.49 17.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.99 -0.55 . . . . 71.04 110.629 -175.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 451' ' ' ASP . . . . . 0.405 ' HA ' ' HD3' ' W' ' 452' ' ' PRO . 14.6 t70 -94.46 128.91 38.42 Favored Pre-proline 0 N--CA 1.464 0.26 0 CA-C-N 116.39 -0.368 . . . . 73.45 110.292 -176.293 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 452' ' ' PRO . . . . . 0.462 ' HG2' HD12 ' W' ' 423' ' ' LEU . 95.6 Cg_endo -87.37 -0.7 7.6 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.834 2.356 . . . . 73.12 114.182 -178.347 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 453' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -92.17 -36.61 13.19 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 121.469 -0.769 . . . . 75.41 112.547 176.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 3.1 pp -74.34 -7.75 53.91 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.134 0.492 . . . . 74.33 111.596 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt . . . . . 0 C--N 1.319 -0.718 0 N-CA-C 108.01 -1.108 . . . . 64.41 108.01 175.465 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo . . . . . 0 N--CA 1.464 -0.263 0 CA-C-O 120.766 0.236 . . . . 72.41 112.059 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' P' P ' 641' ' ' PRO . . . . . 0.582 ' HD3' ' CZ2' ' W' ' 449' ' ' TRP . 92.9 Cg_endo -85.01 152.3 11.07 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 122.722 2.282 . . . . 71.51 112.46 -178.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 642' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' P' ' 641' ' ' PRO . 6.1 Cg_exo -78.3 174.27 12.65 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 123.469 2.779 . . . . 64.24 112.275 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -72.6 155.91 39.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.878 -0.601 . . . . 63.33 111.065 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 644' ' ' TYR . . . . . 0.549 ' HA ' ' HG ' ' P' ' 647' ' ' LEU . 88.8 t80 -59.15 -36.6 75.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 72.42 111.491 -178.367 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -59.73 -20.08 54.14 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.014 0.746 . . . . 70.01 113.014 -177.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 13.0 t -113.91 -20.96 10.86 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.451 -0.5 . . . . 75.25 112.224 -178.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' P' P ' 647' ' ' LEU . . . . . 0.549 ' HG ' ' HA ' ' P' ' 644' ' ' TYR . 3.9 pp -87.42 -10.33 52.26 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 122.049 -0.407 . . . . 73.12 111.447 -179.119 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.936 -0.649 . . . . 70.31 112.594 179.412 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.806 0.336 . . . . 70.41 111.692 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' W' W ' 424' ' ' PRO . . . . . 0.527 ' HB2' ' CD1' ' W' ' 427' ' ' TRP . 23.1 Cg_exo -64.07 172.27 6.41 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.959 2.439 . . . . 54.53 111.826 176.671 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -70.6 109.61 4.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.063 0.459 . . . . 72.13 111.16 -175.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 112.07 -20.56 21.53 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.677 -0.773 . . . . 72.2 112.787 178.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 427' ' ' TRP . . . . . 0.647 ' HZ3' HG21 ' W' ' 448' ' ' THR . 50.2 m95 -85.92 115.62 23.65 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.157 0.504 . . . . 64.44 111.002 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -107.56 169.41 8.61 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.98 0.419 . . . . 75.14 111.047 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 89.6 t -127.14 129.59 71.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.86 -0.609 . . . . 64.4 110.278 -176.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 430' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -110.4 -158.19 0.64 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.187 -0.301 . . . . 72.35 110.187 178.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -155.02 110.72 3.12 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 121.228 -0.189 . . . . 74.21 110.736 -171.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -81.99 154.53 70.12 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 109.325 -0.62 . . . . 74.21 109.325 176.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -51.95 -31.82 45.13 Favored 'Trans proline' 0 N--CA 1.475 0.425 0 C-N-CA 123.19 2.593 . . . . 65.04 113.434 -178.64 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -77.01 -7.46 55.68 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.493 -0.322 . . . . 72.43 111.525 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 94.2 18.19 37.45 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.776 -0.726 . . . . 75.01 111.799 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 436' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -94.14 114.41 63.18 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.001 0.429 . . . . 64.44 110.477 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -83.96 106.13 1.2 Allowed 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 122.795 2.33 . . . . 74.14 112.575 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -94.9 157.83 15.74 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 120.076 -0.65 . . . . 73.44 109.515 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -95.44 143.35 26.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.374 0.607 . . . . 74.11 111.518 -175.558 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 440' ' ' ILE . . . . . . . . . . . . . 58.2 mt -112.81 134.46 55.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.074 -0.966 . . . . 65.21 108.734 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 441' ' ' ASP . . . . . 0.421 ' OD2' HG22 ' W' ' 444' ' ' THR . 24.2 t70 -108.32 116.06 31.26 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.247 0.546 . . . . 61.2 111.901 -176.487 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 442' ' ' HIS . . . . . 0.416 ' O ' ' HE3' ' W' ' 445' ' ' LYS . 65.1 m80 -79.6 1.28 26.67 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.514 -0.767 . . . . 72.11 111.919 178.072 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -91.33 -58.55 2.41 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 121.945 -0.472 . . . . 53.52 111.917 -175.066 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 444' ' ' THR . . . . . 0.421 HG22 ' OD2' ' W' ' 441' ' ' ASP . 8.9 t -104.07 3.59 33.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.915 0.388 . . . . 72.12 110.523 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 445' ' ' LYS . . . . . 0.416 ' HE3' ' O ' ' W' ' 442' ' ' HIS . 16.5 mmtp 65.41 65.27 0.57 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.663 -0.699 . . . . 74.52 111.596 176.093 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 13.2 t -152.62 -177.69 6.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.08 -0.509 . . . . 72.41 110.418 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 447' ' ' THR . . . . . . . . . . . . . 17.1 p -119.81 150.09 41.0 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.171 -0.677 . . . . 75.03 109.171 176.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 448' ' ' THR . . . . . 0.647 HG21 ' HZ3' ' W' ' 427' ' ' TRP . 5.3 t -146.95 155.66 42.45 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.033 -0.667 . . . . 72.22 111.663 -177.432 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -106.12 -15.59 14.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.739 -0.664 . . . . 72.32 111.152 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 450' ' ' GLU . . . . . 0.519 ' HG2' ' OG1' ' W' ' 448' ' ' THR . 11.3 pt-20 -75.24 130.52 39.25 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.3 0.571 . . . . 73.21 111.345 -178.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 451' ' ' ASP . . . . . 0.417 ' HA ' ' HD3' ' W' ' 452' ' ' PRO . 3.9 t70 -84.51 124.03 73.91 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.48 -0.782 . . . . 74.24 111.233 179.336 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 452' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' W' ' 451' ' ' ASP . 79.4 Cg_endo -95.24 24.26 0.36 Allowed 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 123.635 2.89 . . . . 70.11 112.186 177.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 453' ' ' ARG . . . . . 0.769 ' HA ' ' NE ' ' W' ' 453' ' ' ARG . 3.2 mmp_? -100.48 -50.6 3.86 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.796 -0.638 . . . . 70.43 111.475 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 92.9 mt -76.43 1.67 15.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.821 -0.627 . . . . 72.23 111.373 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 116.193 -0.458 . . . . 74.14 110.681 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo . . . . . 0 C--O 1.234 0.279 0 N-CA-C 111.189 -0.351 . . . . 55.05 111.189 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' P' P ' 641' ' ' PRO . . . . . 0.529 ' HA ' ' HD3' ' P' ' 642' ' ' PRO . 93.3 Cg_endo -80.62 124.98 5.38 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.497 2.131 . . . . 45.3 112.806 -177.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 642' ' ' PRO . . . . . 0.593 ' HD2' HD21 ' P' ' 647' ' ' LEU . 13.4 Cg_exo -70.76 173.6 11.63 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.519 2.813 . . . . 72.02 111.978 178.267 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 643' ' ' ALA . . . . . 0.568 ' O ' ' HG ' ' P' ' 647' ' ' LEU . . . -72.2 156.92 38.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.045 0.45 . . . . 65.25 111.495 -178.746 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -57.01 -29.09 63.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.628 -0.715 . . . . 75.34 111.945 -177.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -62.74 -30.47 71.45 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.464 0.542 . . . . 73.12 112.464 -177.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 11.7 t -109.34 3.84 21.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.279 0.562 . . . . 61.52 110.842 -178.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' P' P ' 647' ' ' LEU . . . . . 0.593 HD21 ' HD2' ' P' ' 642' ' ' PRO . 43.8 mt -88.93 -20.06 25.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.281 -0.418 . . . . 74.11 111.078 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.609 -0.805 . . . . 25.44 112.117 179.817 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--O 1.233 0.234 0 N-CA-C 108.579 -0.897 . . . . 72.22 108.579 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -53.83 125.09 17.53 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 121.451 1.434 . . . . 74.12 109.678 173.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.19 96.91 0.08 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.951 0.881 . . . . 74.15 112.274 -174.009 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 154.83 -20.48 0.59 Allowed Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 108.231 -1.948 . . . . 74.1 108.231 172.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 427' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -89.36 171.71 9.56 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 114.199 -1.0 . . . . 73.22 109.26 173.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 428' ' ' GLU . . . . . 0.54 ' HB2' ' NE2' ' W' ' 442' ' ' HIS . 9.2 tp10 -146.88 146.91 30.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.158 0.504 . . . . 73.42 111.886 -176.471 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 62.4 t -97.93 125.82 51.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.222 -0.899 . . . . 73.33 109.811 175.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 430' ' ' ARG . . . . . 0.441 ' O ' ' HA ' ' W' ' 437' ' ' PRO . 7.8 tpt180 -133.26 147.03 51.92 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.234 -0.587 . . . . 75.2 110.943 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 18.6 m170 -91.74 138.81 31.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.069 0.462 . . . . 63.25 111.886 -178.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -101.54 163.75 17.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.338 -0.846 . . . . 55.35 109.48 176.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.85 -6.05 3.13 Favored 'Trans proline' 0 CA--C 1.534 0.504 0 C-N-CA 123.093 2.529 . . . . 55.22 113.642 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -107.87 15.45 24.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.966 0.412 . . . . 61.13 110.544 -178.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 70.59 9.87 65.96 Favored Glycine 0 C--O 1.229 -0.184 0 C-N-CA 121.119 -0.562 . . . . 63.43 112.575 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 436' ' ' ARG . . . . . 0.431 ' HA ' ' HD3' ' W' ' 437' ' ' PRO . 19.5 tpp180 -93.53 118.3 67.51 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 110.248 -0.278 . . . . 75.13 110.248 -179.309 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 437' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' W' ' 430' ' ' ARG . 5.8 Cg_exo -78.9 111.44 2.96 Favored 'Trans proline' 0 N--CA 1.453 -0.906 0 C-N-CA 122.841 2.361 . . . . 62.35 111.471 176.344 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -99.85 165.71 11.43 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.844 -0.428 . . . . 73.2 109.844 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 439' ' ' PHE . . . . . 0.44 ' CE2' ' HB2' ' W' ' 451' ' ' ASP . 80.6 m-85 -108.32 142.92 37.92 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.977 -0.556 . . . . 72.34 111.28 -175.424 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 440' ' ' ILE . . . . . 0.785 HG12 HG22 ' W' ' 447' ' ' THR . 21.9 mt -127.34 153.97 37.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.299 -0.864 . . . . 63.41 109.821 -178.553 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 441' ' ' ASP . . . . . 0.496 ' OD2' HG22 ' W' ' 444' ' ' THR . 6.2 t70 -112.11 131.79 55.23 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 107.781 -1.192 . . . . 73.44 107.781 173.544 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 442' ' ' HIS . . . . . 0.54 ' NE2' ' HB2' ' W' ' 428' ' ' GLU . 26.8 m170 -79.53 -25.04 41.8 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 119.785 1.175 . . . . 74.44 110.713 -176.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -60.65 -56.9 15.81 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.953 -0.567 . . . . 62.01 112.004 -174.056 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 444' ' ' THR . . . . . 0.656 HG23 ' HB ' ' W' ' 446' ' ' THR . 13.3 t -107.45 7.84 29.17 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.399 -0.364 . . . . 72.0 111.301 -176.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 60.36 30.69 20.02 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.254 0.55 . . . . 72.21 110.675 179.328 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 446' ' ' THR . . . . . 0.656 ' HB ' HG23 ' W' ' 444' ' ' THR . 1.0 OUTLIER -92.75 141.66 28.21 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.304 -0.862 . . . . 62.2 111.773 -176.963 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' W' W ' 447' ' ' THR . . . . . 0.785 HG22 HG12 ' W' ' 440' ' ' ILE . 16.4 p -111.33 145.4 38.91 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.803 -0.635 . . . . 61.3 109.948 177.71 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 448' ' ' THR . . . . . 0.452 ' OG1' ' HG2' ' W' ' 450' ' ' GLU . 13.2 t -144.41 163.57 33.38 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.972 0.415 . . . . 63.12 111.131 -178.65 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -105.41 -5.9 19.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.056 -0.52 . . . . 74.31 111.266 -178.478 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 450' ' ' GLU . . . . . 0.452 ' HG2' ' OG1' ' W' ' 448' ' ' THR . 7.3 pt-20 -101.04 160.65 14.2 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.429 -0.582 . . . . 71.41 109.429 -179.45 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 451' ' ' ASP . . . . . 0.572 ' O ' ' HG2' ' W' ' 455' ' ' LYS . 1.8 t70 -114.52 131.37 23.38 Favored Pre-proline 0 C--N 1.323 -0.57 0 C-N-CA 121.327 -0.149 . . . . 75.52 111.317 -173.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.51 -4.26 15.03 Favored 'Trans proline' 0 CA--C 1.537 0.675 0 C-N-CA 123.106 2.537 . . . . 74.04 114.036 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 453' ' ' ARG . . . . . 0.52 ' HE ' ' HA ' ' W' ' 453' ' ' ARG . 1.0 OUTLIER -81.7 -50.61 9.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.026 0.441 . . . . 75.3 110.791 175.072 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' W' W ' 454' ' ' LEU . . . . . 0.453 ' HG ' ' OD2' ' W' ' 451' ' ' ASP . 3.9 pp -80.94 -2.5 47.96 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.567 0.581 . . . . 73.25 112.567 -177.204 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 455' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' W' ' 451' ' ' ASP . 18.1 ptpt . . . . . 0 C--N 1.326 -0.422 0 N-CA-C 109.537 -0.542 . . . . 72.33 109.537 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 640' ' ' PRO . . . . . 0.477 ' HA ' ' HD3' ' P' ' 641' ' ' PRO . 2.4 Cg_endo . . . . . 0 N--CA 1.452 -0.936 0 CA-C-O 120.863 0.276 . . . . 74.31 112.27 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 641' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' P' ' 640' ' ' PRO . 34.2 Cg_endo -92.94 141.52 1.98 Allowed 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 123.133 2.556 . . . . 70.15 111.482 176.131 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 642' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.1 136.38 72.9 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.562 2.175 . . . . 74.32 112.236 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -65.93 147.53 53.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.17 -0.468 . . . . 61.25 110.418 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 644' ' ' TYR . . . . . 0.495 ' HA ' ' HB2' ' P' ' 647' ' ' LEU . 27.6 t80 -62.84 -14.8 50.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.101 0.476 . . . . 60.45 110.812 -178.017 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -61.14 -37.81 84.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.859 -0.61 . . . . 43.5 110.82 177.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 14.2 t -96.63 -11.45 25.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.143 0.497 . . . . 71.21 110.439 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' P' P ' 647' ' ' LEU . . . . . 0.495 ' HB2' ' HA ' ' P' ' 644' ' ' TYR . 93.6 mt -84.72 -43.08 14.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.069 -0.514 . . . . 54.33 110.757 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 C-N-CA 120.94 -0.648 . . . . 71.2 112.037 -179.913 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.794 0 N-CA-C 111.251 -0.74 . . . . 61.42 111.251 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 73.6 m -68.71 128.5 36.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.931 0.396 . . . . 74.25 110.12 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 418' ' ' MET . . . . . 0.569 ' HG2' ' HA ' ' W' ' 454' ' ' LEU . 30.3 mtm -119.27 -94.3 0.5 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.314 -0.624 . . . . 72.2 109.314 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 419' ' ' GLU . . . . . 0.409 ' H ' ' HB2' ' W' ' 418' ' ' MET . 47.9 mt-10 52.22 78.92 0.12 Allowed 'General case' 0 C--O 1.232 0.176 0 O-C-N 124.115 0.884 . . . . 72.3 112.885 174.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -47.2 101.32 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.73 0.776 . . . . 75.1 112.146 176.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . -154.97 -46.2 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 109.979 -1.248 . . . . 50.33 109.979 178.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 422' ' ' PHE . . . . . 0.415 ' O ' ' HD2' ' W' ' 453' ' ' ARG . 79.4 m-85 -113.58 137.37 51.68 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.302 -0.999 . . . . 73.31 108.302 174.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -114.39 157.67 41.94 Favored Pre-proline 0 C--N 1.316 -0.849 0 C-N-CA 121.179 -0.209 . . . . 72.5 110.905 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -68.43 172.01 12.0 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.901 2.401 . . . . 53.51 111.876 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -57.75 135.87 56.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.109 -0.496 . . . . 74.02 110.748 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 77.64 -5.33 52.7 Favored Glycine 0 CA--C 1.52 0.391 0 CA-C-N 115.84 -0.618 . . . . 50.31 113.893 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 427' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -102.88 124.83 49.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 117.529 0.665 . . . . 74.1 111.47 -178.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 428' ' ' GLU . . . . . 0.408 ' HB3' ' HB ' ' W' ' 440' ' ' ILE . 6.6 tp10 -114.45 165.41 12.77 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.045 -0.724 . . . . 71.35 109.045 177.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 14.2 p -135.66 135.98 50.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.484 -0.562 . . . . 62.32 109.484 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 430' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -138.12 170.05 16.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.426 -0.352 . . . . 71.23 110.142 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -106.85 133.8 50.96 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.781 0.324 . . . . 74.53 110.358 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -85.73 155.68 58.79 Favored Pre-proline 0 C--N 1.319 -0.76 0 N-CA-C 108.95 -0.759 . . . . 52.41 108.95 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.14 -23.58 45.44 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.552 2.168 . . . . 72.51 112.182 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -74.88 -14.47 60.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 73.43 111.262 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 106.95 -19.54 35.14 Favored Glycine 0 CA--C 1.518 0.226 0 C-N-CA 120.732 -0.747 . . . . 53.0 112.804 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 436' ' ' ARG . . . . . 0.44 ' HA ' ' HD3' ' W' ' 436' ' ' ARG . 15.9 mmt180 -81.0 140.25 49.87 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-O 120.859 0.361 . . . . 72.21 111.269 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -83.16 140.16 9.75 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.798 2.332 . . . . 73.41 112.103 177.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -131.11 149.72 52.47 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.007 0.432 . . . . 74.34 109.987 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -96.9 141.66 29.82 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.583 -0.735 . . . . 72.32 110.58 -177.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 440' ' ' ILE . . . . . 0.459 HD13 HD21 ' P' ' 647' ' ' LEU . 13.8 mt -121.54 114.22 42.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.251 -0.886 . . . . 74.32 110.465 -176.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 441' ' ' ASP . . . . . 0.581 ' OD2' HG22 ' W' ' 444' ' ' THR . 18.8 t70 -89.0 109.67 20.47 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.066 0.46 . . . . 71.41 110.884 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 442' ' ' HIS . . . . . 0.4 ' HE2' ' HB2' ' W' ' 428' ' ' GLU . 39.6 m-70 -61.8 -24.57 66.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.641 -0.709 . . . . 64.45 112.141 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -66.58 -56.88 8.7 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.436 0.532 . . . . 43.42 112.436 -174.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 444' ' ' THR . . . . . 0.581 HG22 ' OD2' ' W' ' 441' ' ' ASP . 14.8 t -111.19 11.29 21.83 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.23 0.456 . . . . 75.24 112.23 -177.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp 64.0 29.13 14.39 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.141 -0.482 . . . . 41.14 112.009 175.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 4.1 t -104.7 151.23 23.96 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.258 0.551 . . . . 63.52 111.195 -178.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 447' ' ' THR . . . . . . . . . . . . . 2.7 p -116.03 146.86 41.81 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.702 -0.681 . . . . 72.22 110.083 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 8.9 t -145.37 150.96 37.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.002 0.43 . . . . 71.33 111.606 -179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -97.05 -9.44 28.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.321 0.581 . . . . 72.34 109.532 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -85.7 151.65 23.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.18 -0.918 . . . . 72.35 110.111 -176.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 451' ' ' ASP . . . . . 0.414 ' HB3' ' CD2' ' W' ' 454' ' ' LEU . 12.9 t70 -94.87 123.53 57.4 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 109.977 -0.379 . . . . 72.1 109.977 -176.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -81.68 -4.87 12.32 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.782 2.321 . . . . 73.2 113.957 -177.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 453' ' ' ARG . . . . . 0.415 ' HD2' ' O ' ' W' ' 422' ' ' PHE . 9.6 mtp180 -93.75 -32.48 13.99 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.942 -0.303 . . . . 72.31 111.701 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 454' ' ' LEU . . . . . 0.916 HD12 ' HG3' ' W' ' 455' ' ' LYS . 3.7 pp -78.11 -8.5 58.33 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.268 0.556 . . . . 75.35 110.724 178.411 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 455' ' ' LYS . . . . . 0.916 ' HG3' HD12 ' W' ' 454' ' ' LEU . 61.1 mtpt -115.84 128.81 56.1 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.673 -1.232 . . . . 72.21 107.673 174.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 456' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' W' ' 457' ' ' PRO . 62.2 mt -104.27 114.16 64.53 Favored Pre-proline 0 C--N 1.32 -0.71 0 C-N-CA 120.622 -0.431 . . . . 70.12 111.635 -173.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 457' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' W' ' 456' ' ' ILE . 6.8 Cg_exo -74.42 118.57 5.4 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 122.87 2.38 . . . . 74.54 110.994 175.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.222 -0.445 . . . . 62.34 110.304 -178.921 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 21.7 p . . . . . 0 C--O 1.232 0.166 0 CA-C-O 121.16 0.505 . . . . 73.23 110.995 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' P' P ' 639' ' ' ALA . . . . . . . . . . . . . . . -124.68 144.81 47.54 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.716 -0.675 . . . . 50.44 110.401 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -80.16 151.03 20.56 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.598 2.199 . . . . 61.53 111.705 177.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 641' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -81.2 150.34 17.59 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.077 1.851 . . . . 72.44 111.999 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 642' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.97 140.26 91.9 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.677 2.251 . . . . 74.24 112.104 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -68.52 163.89 22.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.133 0.492 . . . . 65.43 111.078 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -61.22 -39.75 91.42 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.6 -0.727 . . . . 54.31 111.082 -177.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -76.01 -20.34 57.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.542 0.687 . . . . 72.23 110.221 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 95.0 m -78.16 -36.98 46.91 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.2 -0.909 . . . . 70.23 110.869 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' P' P ' 647' ' ' LEU . . . . . 0.459 HD21 HD13 ' W' ' 440' ' ' ILE . 4.2 pp -90.69 -6.27 54.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.889 -0.596 . . . . 71.22 111.475 -177.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.773 -0.727 . . . . 65.14 112.129 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 N-CA-C 111.958 -0.457 . . . . 61.12 111.958 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 28.0 t -156.69 122.48 4.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.973 0.416 . . . . 52.33 110.065 -178.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 418' ' ' MET . . . . . . . . . . . . . 37.8 tpp -119.85 124.34 45.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.217 -0.447 . . . . 64.44 110.414 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 419' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -63.12 126.67 28.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.977 -0.556 . . . . 62.13 111.017 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -61.64 112.62 2.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.203 0.525 . . . . 75.22 110.403 178.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . -136.05 -122.88 2.23 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.238 -0.892 . . . . 70.23 111.032 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 422' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -119.04 144.23 46.66 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.129 0.49 . . . . 73.44 111.081 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -94.94 155.64 38.89 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.359 -0.837 . . . . 71.13 110.158 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.52 164.2 24.42 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.637 2.225 . . . . 72.2 111.772 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 425' ' ' LYS . . . . . 0.426 ' C ' ' HD3' ' W' ' 425' ' ' LYS . 0.6 OUTLIER -50.59 125.91 14.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.402 0.62 . . . . 75.2 111.725 179.419 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 77.82 4.84 86.05 Favored Glycine 0 C--O 1.223 -0.556 0 CA-C-N 115.208 -0.906 . . . . 70.25 114.267 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 427' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -102.92 122.6 44.91 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 118.136 0.968 . . . . 71.34 110.596 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 428' ' ' GLU . . . . . 0.444 ' HB2' ' CD2' ' W' ' 442' ' ' HIS . 6.5 tp10 -114.01 165.81 12.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.631 -0.713 . . . . 74.34 109.181 -179.09 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 5.9 p -135.85 132.12 50.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 N-CA-C 109.315 -0.624 . . . . 71.13 109.315 176.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 430' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' W' ' 437' ' ' PRO . 6.7 mtt180 -124.17 161.42 25.74 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.479 -0.328 . . . . 71.32 110.186 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -98.94 118.81 36.56 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 110.195 -0.298 . . . . 73.1 110.195 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 432' ' ' ALA . . . . . 0.464 ' HB2' ' HD2' ' W' ' 438' ' ' PHE . . . -75.72 154.88 85.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 116.346 -0.388 . . . . 44.21 110.394 -179.157 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -57.91 -20.59 45.16 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.642 2.228 . . . . 65.12 111.97 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 -69.54 -15.93 63.33 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.113 -0.494 . . . . 73.12 110.663 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 96.59 18.05 31.58 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.81 -0.71 . . . . 53.54 112.355 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 436' ' ' ARG . . . . . 0.555 ' HG2' ' HD2' ' W' ' 437' ' ' PRO . 1.9 tmm_? -135.47 137.26 25.75 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 109.455 -0.572 . . . . 73.01 109.455 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 437' ' ' PRO . . . . . 0.555 ' HD2' ' HG2' ' W' ' 436' ' ' ARG . 55.2 Cg_endo -71.64 149.63 55.43 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.701 2.267 . . . . 64.01 114.114 -178.293 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 438' ' ' PHE . . . . . 0.464 ' HD2' ' HB2' ' W' ' 432' ' ' ALA . 52.1 p90 -134.78 157.49 46.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.939 -1.028 . . . . 73.13 108.408 174.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -100.2 141.91 32.4 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.411 0.624 . . . . 75.43 111.937 -175.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 440' ' ' ILE . . . . . 0.761 HG12 HG22 ' W' ' 447' ' ' THR . 35.9 mt -122.45 115.59 46.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.148 -0.933 . . . . 71.44 109.927 -178.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 441' ' ' ASP . . . . . 0.582 ' OD2' HG22 ' W' ' 444' ' ' THR . 17.7 t70 -85.84 109.02 18.4 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.994 0.426 . . . . 64.44 111.148 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 442' ' ' HIS . . . . . 0.444 ' CD2' ' HB2' ' W' ' 428' ' ' GLU . 60.7 m-70 -60.57 -23.91 65.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.987 -0.551 . . . . 72.44 111.792 177.136 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 443' ' ' ASN . . . . . 0.449 ' HB2' ' OD2' ' W' ' 441' ' ' ASP . 61.5 m-80 -62.2 -57.07 12.84 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.619 0.229 . . . . 62.33 111.619 -177.312 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 444' ' ' THR . . . . . 0.582 HG22 ' OD2' ' W' ' 441' ' ' ASP . 12.2 t -109.43 5.57 23.51 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.014 0.375 . . . . 72.11 112.014 -178.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 13.8 mptt 65.73 31.26 9.79 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 112.08 0.4 . . . . 65.42 112.08 177.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 4.5 t -104.41 161.84 13.74 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.301 -0.409 . . . . 53.25 110.906 -178.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 447' ' ' THR . . . . . 0.761 HG22 HG12 ' W' ' 440' ' ' ILE . 10.4 p -122.11 141.92 50.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.938 -0.574 . . . . 74.44 109.992 178.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 13.2 t -147.34 163.48 36.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.009 0.433 . . . . 71.41 111.118 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 449' ' ' TRP . . . . . 0.439 ' HZ2' ' HD3' ' P' ' 641' ' ' PRO . 86.1 m95 -104.36 -8.49 19.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.837 -0.62 . . . . 63.41 110.422 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -78.11 146.19 35.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.047 -0.524 . . . . 62.2 110.439 -178.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 451' ' ' ASP . . . . . 0.478 ' OD2' ' HG ' ' W' ' 454' ' ' LEU . 19.1 t70 -89.06 124.33 65.26 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.363 -0.38 . . . . 61.23 110.368 -178.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -86.94 -0.31 7.85 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.86 2.373 . . . . 73.04 113.553 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 453' ' ' ARG . . . . . . . . . . . . . 46.4 mtp85 -87.75 -46.51 9.41 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.188 0.44 . . . . 70.43 112.188 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 454' ' ' LEU . . . . . 0.478 ' HG ' ' OD2' ' W' ' 451' ' ' ASP . 3.7 pp -80.46 -10.3 59.75 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.812 -0.355 . . . . 72.45 111.744 -177.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.88 153.29 39.96 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.774 -0.454 . . . . 73.42 109.774 178.471 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 456' ' ' ILE . . . . . 0.458 ' HA ' ' HD3' ' W' ' 457' ' ' PRO . 26.3 pt -70.4 135.57 86.5 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 120.933 0.397 . . . . 70.2 111.177 -178.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 457' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' W' ' 456' ' ' ILE . 5.8 Cg_exo -78.52 176.72 9.58 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 123.11 2.54 . . . . 72.2 112.431 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 116.059 -0.519 . . . . 70.22 111.04 179.268 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 15.1 m . . . . . 0 C--O 1.234 0.289 0 CA-C-O 120.965 0.412 . . . . 70.45 110.678 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' P' P ' 639' ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' P' ' 640' ' ' PRO . . . -100.79 119.26 58.87 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.314 -0.403 . . . . 70.4 109.936 177.26 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 640' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' P' ' 639' ' ' ALA . 13.4 Cg_exo -69.85 145.13 55.71 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 123.034 2.489 . . . . 65.42 112.328 -179.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 641' ' ' PRO . . . . . 0.465 ' HA ' ' HD3' ' P' ' 642' ' ' PRO . 92.9 Cg_endo -82.07 138.74 10.35 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.547 2.165 . . . . 74.24 112.084 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 642' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' P' ' 641' ' ' PRO . 6.0 Cg_exo -78.14 173.64 13.62 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 123.184 2.59 . . . . 72.33 112.098 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -70.35 159.28 34.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.381 -0.372 . . . . 63.43 110.113 177.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -59.22 -44.14 92.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.84 0.352 . . . . 72.14 111.701 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -72.93 -15.47 61.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.36 0.6 . . . . 71.13 110.529 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 90.4 m -87.56 -40.17 14.49 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.086 -0.961 . . . . 72.54 110.763 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 647' ' ' LEU . . . . . . . . . . . . . 4.2 pp -84.61 -16.44 42.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.905 -0.589 . . . . 74.43 111.476 -177.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.444 0 C-N-CA 120.675 -0.774 . . . . 53.5 112.067 179.732 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 N-CA-C 112.059 -0.416 . . . . 74.44 112.059 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 50.6 m -102.67 133.33 47.86 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.883 0.373 . . . . 42.14 111.021 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 418' ' ' MET . . . . . . . . . . . . . 47.6 tpp -65.33 -31.01 71.91 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.226 -0.657 . . . . 71.52 109.226 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 419' ' ' GLU . . . . . 0.533 ' HG2' ' NH1' ' W' ' 453' ' ' ARG . 10.6 tp10 -141.5 140.01 33.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.156 -0.929 . . . . 71.02 108.581 177.088 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -74.31 135.11 42.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.055 0.455 . . . . 63.23 111.228 -178.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . 109.43 -133.18 11.48 Favored Glycine 0 N--CA 1.443 -0.867 0 CA-C-N 115.784 -0.644 . . . . 53.11 111.971 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 422' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -129.34 -159.46 0.96 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.864 0.364 . . . . 73.15 110.174 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -68.42 158.57 84.52 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 109.124 -0.695 . . . . 64.02 109.124 177.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 424' ' ' PRO . . . . . 0.569 ' HB2' ' CD1' ' W' ' 427' ' ' TRP . 50.4 Cg_exo -53.39 145.03 47.59 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.128 1.886 . . . . 75.42 111.056 177.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -58.35 107.41 0.49 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.336 0.588 . . . . 45.41 111.49 -175.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 121.51 -6.24 10.67 Favored Glycine 0 N--CA 1.446 -0.659 0 CA-C-N 115.223 -0.899 . . . . 72.42 111.864 177.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 427' ' ' TRP . . . . . 0.569 ' CD1' ' HB2' ' W' ' 424' ' ' PRO . 32.7 m95 -100.21 124.98 46.29 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.905 -0.406 . . . . 75.43 109.905 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -127.78 156.62 42.18 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.835 -0.432 . . . . 62.24 109.835 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 43.0 t -103.55 135.53 40.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.918 0.39 . . . . 74.3 111.046 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 430' ' ' ARG . . . . . 0.547 ' HD2' HD11 ' W' ' 440' ' ' ILE . 0.2 OUTLIER -118.44 -153.77 0.54 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 75.15 110.566 179.692 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' W' W ' 431' ' ' HIS . . . . . 0.437 ' H ' ' HG2' ' W' ' 430' ' ' ARG . 12.6 m80 -151.32 111.23 4.07 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.948 -0.39 . . . . 72.53 109.948 -170.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 432' ' ' ALA . . . . . 0.444 ' HB2' ' HD1' ' W' ' 438' ' ' PHE . . . -90.21 149.9 42.21 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.676 -0.238 . . . . 74.2 110.43 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -51.92 -31.84 44.95 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.328 2.685 . . . . 75.44 112.921 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -64.95 -14.3 59.67 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.636 0.255 . . . . 74.42 111.611 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 94.84 23.75 19.68 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.505 -0.855 . . . . 75.04 111.461 -178.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 436' ' ' ARG . . . . . 0.427 ' HA ' ' HD3' ' W' ' 437' ' ' PRO . 15.3 mmm180 -119.47 123.14 28.85 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.483 -0.359 . . . . 72.15 110.869 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 437' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' W' ' 436' ' ' ARG . 11.7 Cg_exo -73.26 107.86 2.48 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 123.107 2.538 . . . . 52.33 111.919 177.092 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 438' ' ' PHE . . . . . 0.444 ' HD1' ' HB2' ' W' ' 432' ' ' ALA . 53.9 p90 -95.5 155.11 16.88 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.879 -0.415 . . . . 61.23 109.879 177.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -95.24 138.32 33.1 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.256 0.55 . . . . 71.24 110.986 -176.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 440' ' ' ILE . . . . . 0.547 HD11 ' HD2' ' W' ' 430' ' ' ARG . 34.7 mt -110.09 116.08 51.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.534 -0.757 . . . . 75.32 109.831 179.034 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 441' ' ' ASP . . . . . 0.543 ' OD2' HG22 ' W' ' 444' ' ' THR . 25.1 t70 -90.71 110.7 21.87 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.108 -0.701 . . . . 74.22 109.108 175.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -78.57 -8.31 58.47 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.468 -0.787 . . . . 75.13 110.659 -177.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -75.45 -57.74 3.7 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.046 0.387 . . . . 64.34 112.046 -177.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 444' ' ' THR . . . . . 0.543 HG22 ' OD2' ' W' ' 441' ' ' ASP . 13.8 t -101.97 1.89 37.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.806 0.336 . . . . 74.21 110.737 -179.128 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 445' ' ' LYS . . . . . 0.404 ' HD2' ' CE1' ' P' ' 644' ' ' TYR . 72.8 mmtt 66.1 65.88 0.5 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.816 -0.629 . . . . 71.05 110.993 177.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 7.6 t -148.81 163.31 37.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.042 -0.527 . . . . 74.43 110.701 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 447' ' ' THR . . . . . . . . . . . . . 11.3 p -118.86 143.79 46.75 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.979 -0.378 . . . . 74.3 109.979 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 448' ' ' THR . . . . . 0.447 ' OG1' ' HG2' ' W' ' 450' ' ' GLU . 15.1 t -141.02 160.97 38.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.785 0.326 . . . . 72.41 111.251 -178.021 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 449' ' ' TRP . . . . . 0.563 ' HZ2' ' HD3' ' P' ' 641' ' ' PRO . 94.8 m95 -105.68 -7.92 18.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.263 -0.426 . . . . 64.22 111.46 -179.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 450' ' ' GLU . . . . . 0.447 ' HG2' ' OG1' ' W' ' 448' ' ' THR . 13.5 pt-20 -89.35 158.08 17.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.758 0.314 . . . . 74.22 111.218 -175.594 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -98.71 129.81 29.22 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 72.11 109.892 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -90.31 -18.02 1.4 Allowed 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 122.751 2.3 . . . . 64.25 114.668 -178.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 453' ' ' ARG . . . . . 0.854 ' HE ' ' HA ' ' W' ' 453' ' ' ARG . 2.3 mmp_? -93.56 -18.83 21.8 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 121.373 -0.83 . . . . 74.41 112.512 -177.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 86.2 mt -79.37 7.4 7.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.555 0.693 . . . . 73.33 109.585 174.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -128.9 148.88 50.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.873 -1.058 . . . . 75.43 108.776 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 456' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' W' ' 457' ' ' PRO . 13.6 pt -123.18 106.33 33.53 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 121.164 0.506 . . . . 74.22 110.925 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 457' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' W' ' 456' ' ' ILE . 3.0 Cg_exo -76.12 131.33 12.93 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 123.103 2.535 . . . . 61.5 111.906 179.247 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 116.103 -0.499 . . . . 73.25 110.646 179.581 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 24.6 m . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 120.943 0.402 . . . . 74.14 110.781 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' P' P ' 639' ' ' ALA . . . . . 0.409 ' HA ' ' HD2' ' P' ' 640' ' ' PRO . . . -101.25 117.62 61.8 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.173 -0.467 . . . . 62.24 110.389 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 640' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' P' ' 639' ' ' ALA . 35.0 Cg_endo -64.89 148.52 89.91 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.972 2.448 . . . . 52.25 112.362 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 641' ' ' PRO . . . . . 0.563 ' HD3' ' HZ2' ' W' ' 449' ' ' TRP . 60.3 Cg_endo -72.12 154.12 57.22 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 122.655 2.236 . . . . 73.14 112.054 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 642' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.12 162.62 41.21 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.628 2.218 . . . . 65.03 111.976 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -78.22 157.17 29.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.349 -0.387 . . . . 74.41 110.563 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 644' ' ' TYR . . . . . 0.404 ' CE1' ' HD2' ' W' ' 445' ' ' LYS . 29.1 t80 -52.35 -37.07 55.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.524 -0.762 . . . . 70.52 111.905 -177.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -64.01 -49.93 70.49 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.453 0.538 . . . . 64.42 112.453 -176.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 14.4 t -74.54 -22.99 58.74 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.513 0.56 . . . . 65.43 112.513 -176.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 647' ' ' LEU . . . . . . . . . . . . . 4.6 pp -91.06 -26.19 19.28 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.557 -0.457 . . . . 54.33 111.413 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.407 0 C-N-CA 120.552 -0.832 . . . . 65.51 112.687 179.287 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.68 0 N-CA-C 112.142 -0.383 . . . . 52.31 112.142 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 17.7 t -149.13 11.51 0.82 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.264 0.554 . . . . 53.21 110.428 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 418' ' ' MET . . . . . . . . . . . . . 11.5 tpt -93.79 112.01 23.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.211 0.529 . . . . 72.4 110.967 -177.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 419' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -61.07 -57.94 10.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.212 -0.904 . . . . 65.35 110.071 178.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -106.28 100.88 10.4 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.987 -0.746 . . . . 65.22 108.987 176.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . -68.45 82.92 0.2 Allowed Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 116.08 -0.509 . . . . 70.22 113.831 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 422' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -122.12 -176.41 3.34 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.465 -0.939 . . . . 73.3 108.465 175.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 423' ' ' LEU . . . . . 0.411 HD13 ' HD2' ' W' ' 453' ' ' ARG . 2.8 mm? -114.1 149.93 42.77 Favored Pre-proline 0 C--N 1.321 -0.649 0 C-N-CA 120.868 -0.333 . . . . 73.44 110.991 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -63.15 168.04 11.52 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.498 2.132 . . . . 65.14 110.251 176.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 425' ' ' LYS . . . . . 0.43 ' HA ' ' HD2' ' W' ' 425' ' ' LYS . 20.5 tptm -75.19 107.26 7.17 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.907 -0.717 . . . . 73.21 109.727 -177.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 133.97 -25.02 3.57 Favored Glycine 0 N--CA 1.437 -1.235 0 N-CA-C 110.158 -1.177 . . . . 41.44 110.158 -178.321 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 427' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -100.8 152.14 20.85 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.115 -0.328 . . . . 64.25 110.115 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -145.69 159.13 43.6 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.223 -1.029 . . . . 75.54 108.223 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 11.5 p -108.87 138.06 37.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 118.441 0.564 . . . . 65.34 110.109 178.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 430' ' ' ARG . . . . . 0.4 ' HD2' ' HA ' ' W' ' 430' ' ' ARG . 0.1 OUTLIER -123.52 -157.57 0.76 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.817 -0.628 . . . . 61.12 111.091 -177.027 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -152.0 113.89 4.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.751 0.31 . . . . 72.14 110.617 -171.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -85.6 154.33 58.98 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.23 -0.441 . . . . 72.3 110.051 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.26 -24.8 43.77 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.145 2.563 . . . . 73.31 113.248 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -75.31 -5.69 46.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.547 -0.297 . . . . 74.42 111.503 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 88.22 22.96 39.19 Favored Glycine 0 C--N 1.33 0.241 0 N-CA-C 111.259 -0.736 . . . . 54.25 111.259 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 436' ' ' ARG . . . . . 0.419 ' HB3' ' HZ3' ' W' ' 449' ' ' TRP . 10.8 mmm180 -112.52 125.85 29.32 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.266 -0.467 . . . . 74.05 110.671 -177.122 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -81.16 122.59 4.24 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.679 2.253 . . . . 71.53 112.429 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -118.13 146.79 43.91 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.634 -0.506 . . . . 75.14 109.634 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -92.6 137.91 31.96 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.221 -0.445 . . . . 73.54 110.746 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 440' ' ' ILE . . . . . 0.63 HG12 HG22 ' W' ' 447' ' ' THR . 49.2 mt -116.66 138.45 47.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.794 -0.639 . . . . 61.3 110.257 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 441' ' ' ASP . . . . . 0.51 ' HB3' HG22 ' W' ' 446' ' ' THR . 13.3 t70 -103.9 123.46 47.17 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.946 -0.57 . . . . 75.24 110.52 177.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -74.67 -17.34 60.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.168 -0.469 . . . . 71.43 111.89 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -76.89 -58.56 3.21 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.295 0.48 . . . . 75.21 112.295 -174.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 444' ' ' THR . . . . . 0.482 HG22 ' OD2' ' W' ' 441' ' ' ASP . 14.5 t -106.38 -1.05 23.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.82 0.343 . . . . 71.23 110.827 -178.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm 63.42 54.96 1.87 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.819 -0.628 . . . . 74.34 111.3 177.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 446' ' ' THR . . . . . 0.51 HG22 ' HB3' ' W' ' 441' ' ' ASP . 13.7 t -116.92 160.69 20.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.603 -0.726 . . . . 74.3 109.581 178.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 447' ' ' THR . . . . . 0.63 HG22 HG12 ' W' ' 440' ' ' ILE . 46.7 p -124.96 144.41 50.38 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.802 -0.444 . . . . 55.42 109.802 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 448' ' ' THR . . . . . 0.636 ' OG1' ' HG2' ' W' ' 450' ' ' GLU . 12.2 t -139.56 150.63 45.29 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.429 0.633 . . . . 74.24 112.105 -178.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 449' ' ' TRP . . . . . 0.419 ' HZ3' ' HB3' ' W' ' 436' ' ' ARG . 96.1 m95 -105.71 -6.12 19.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.978 -1.01 . . . . 74.15 110.186 179.07 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 450' ' ' GLU . . . . . 0.636 ' HG2' ' OG1' ' W' ' 448' ' ' THR . 13.8 pt-20 -98.18 163.0 12.92 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.44 -0.8 . . . . 64.13 109.762 -176.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -74.51 114.5 34.54 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.28 -0.418 . . . . 64.44 110.088 -176.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 452' ' ' PRO . . . . . 0.649 ' HG2' ' HD3' ' W' ' 453' ' ' ARG . 96.6 Cg_endo -77.61 -17.44 14.28 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.585 2.19 . . . . 60.21 112.532 -179.311 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 453' ' ' ARG . . . . . 0.649 ' HD3' ' HG2' ' W' ' 452' ' ' PRO . 0.0 OUTLIER -76.35 -30.27 57.55 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.592 -0.522 . . . . 75.12 109.592 179.515 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 80.8 mt -75.75 -24.8 56.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.798 -0.637 . . . . 64.21 110.202 177.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 455' ' ' LYS . . . . . 0.457 ' HA ' ' HE3' ' W' ' 455' ' ' LYS . 0.0 OUTLIER -64.49 124.68 22.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.916 -0.584 . . . . 64.11 110.12 176.657 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' W' W ' 456' ' ' ILE . . . . . . . . . . . . . 5.5 tp -101.51 104.31 33.27 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-O 121.366 0.603 . . . . 73.2 110.967 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 457' ' ' PRO . . . . . 0.455 ' HD3' ' O ' ' W' ' 455' ' ' LYS . 4.4 Cg_endo -86.29 118.71 1.66 Allowed 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 123.236 2.624 . . . . 71.1 111.545 179.188 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 116.608 -0.269 . . . . 65.32 110.85 179.706 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 12.6 p . . . . . 0 C--O 1.234 0.245 0 CA-C-O 121.198 0.523 . . . . 74.15 111.324 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' P' P ' 639' ' ' ALA . . . . . . . . . . . . . . . -89.54 144.93 32.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.133 -0.485 . . . . 62.33 110.514 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -58.45 143.17 98.15 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.73 2.286 . . . . 73.35 111.786 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 641' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -63.06 137.03 59.59 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.717 2.278 . . . . 74.42 112.31 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 642' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.39 153.55 77.6 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.96 2.44 . . . . 71.24 112.404 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -70.27 149.33 47.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.85 -0.614 . . . . 75.42 111.462 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -57.23 -40.47 77.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.557 -0.747 . . . . 72.51 110.494 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -62.94 -29.35 70.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.619 -0.719 . . . . 64.21 112.844 -177.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 14.0 t -95.65 -18.66 20.35 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.793 -0.363 . . . . 64.21 111.851 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 647' ' ' LEU . . . . . . . . . . . . . 4.5 pp -91.81 -25.65 18.9 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.634 -0.426 . . . . 75.35 110.823 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.534 0 C-N-CA 120.833 -0.699 . . . . 54.21 112.365 178.946 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.747 0 N-CA-C 111.443 -0.663 . . . . 63.42 111.443 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 77.5 p -85.7 158.02 20.16 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.426 -0.583 . . . . 71.12 109.426 178.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 418' ' ' MET . . . . . . . . . . . . . 35.4 ttm -95.71 97.52 9.77 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.915 0.388 . . . . 71.22 110.601 -177.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 419' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -117.59 3.2 12.4 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.754 -0.832 . . . . 71.01 108.754 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -62.69 -57.59 10.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.018 -0.992 . . . . 53.2 111.674 -175.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . 128.5 -150.12 18.5 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.719 -0.753 . . . . 52.41 111.839 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 422' ' ' PHE . . . . . . . . . . . . . 33.2 t80 76.96 50.29 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 108.038 -1.097 . . . . 65.44 108.038 -179.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 423' ' ' LEU . . . . . 0.433 ' HB3' ' HB2' ' W' ' 427' ' ' TRP . 3.7 mm? -67.66 150.77 97.67 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 114.195 -1.366 . . . . 75.23 110.902 -177.312 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 424' ' ' PRO . . . . . 0.674 ' HG2' ' CD1' ' W' ' 427' ' ' TRP . 33.7 Cg_endo -67.97 172.28 11.07 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.872 2.381 . . . . 63.54 112.428 178.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -49.33 126.51 13.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.414 -0.812 . . . . 71.21 112.427 -178.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 81.35 4.5 90.43 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.183 -0.917 . . . . 63.12 114.699 176.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 427' ' ' TRP . . . . . 0.674 ' CD1' ' HG2' ' W' ' 424' ' ' PRO . 63.2 m95 -101.36 124.93 47.83 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 118.296 1.048 . . . . 74.52 110.759 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -114.0 162.16 16.78 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.771 -0.825 . . . . 63.2 108.771 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 6.7 p -130.78 131.69 64.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 108.523 -0.917 . . . . 74.41 108.523 174.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 430' ' ' ARG . . . . . . . . . . . . . 44.4 ttt-85 -126.76 141.27 51.88 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.968 0.414 . . . . 72.32 110.621 -175.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -82.83 114.0 20.85 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.703 -0.851 . . . . 74.53 108.703 178.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 432' ' ' ALA . . . . . 0.456 ' HB2' ' CD1' ' W' ' 438' ' ' PHE . . . -74.72 153.0 87.25 Favored Pre-proline 0 C--N 1.326 -0.424 0 C-N-CA 120.719 -0.392 . . . . 63.2 110.274 -178.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -58.08 -20.55 46.37 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.012 2.474 . . . . 64.55 112.231 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 434' ' ' ASN . . . . . 0.448 HD22 ' N ' ' W' ' 434' ' ' ASN . 0.9 OUTLIER -78.88 -13.2 59.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 53.01 110.811 178.644 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 109.03 -25.77 17.54 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.965 -0.636 . . . . 72.34 112.707 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 436' ' ' ARG . . . . . 0.48 ' HB3' ' CZ3' ' W' ' 449' ' ' TRP . 1.8 mmm-85 -84.38 125.41 71.98 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-O 120.719 0.295 . . . . 73.52 111.228 -179.547 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -71.36 135.64 27.15 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.477 2.118 . . . . 71.01 111.485 174.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 438' ' ' PHE . . . . . 0.456 ' CD1' ' HB2' ' W' ' 432' ' ' ALA . 40.5 p90 -125.05 152.7 43.94 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.625 -0.509 . . . . 64.03 109.625 178.174 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -94.46 140.43 29.84 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.983 0.421 . . . . 72.32 111.099 -176.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 440' ' ' ILE . . . . . 0.754 HG12 HG22 ' W' ' 447' ' ' THR . 45.4 mt -122.94 115.17 45.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.707 -0.679 . . . . 71.12 110.011 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 441' ' ' ASP . . . . . 0.533 ' OD2' HG22 ' W' ' 444' ' ' THR . 22.1 t70 -88.77 116.41 27.02 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.054 0.454 . . . . 74.33 110.798 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -72.7 -14.06 61.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.555 -0.748 . . . . 62.4 112.19 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -76.38 -57.57 3.79 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.119 -0.232 . . . . 70.23 111.578 -176.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 444' ' ' THR . . . . . 0.533 HG22 ' OD2' ' W' ' 441' ' ' ASP . 13.9 t -101.51 -2.51 30.49 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 121.192 -0.203 . . . . 62.05 111.216 -178.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 14.0 mptt 65.67 66.33 0.52 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.118 -0.492 . . . . 54.25 111.519 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 446' ' ' THR . . . . . 0.429 HG22 ' HB3' ' W' ' 441' ' ' ASP . 14.8 t -136.72 151.65 49.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.846 0.355 . . . . 71.22 111.08 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 447' ' ' THR . . . . . 0.754 HG22 HG12 ' W' ' 440' ' ' ILE . 23.2 p -117.83 129.33 55.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.894 -0.593 . . . . 54.43 109.493 177.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 14.7 t -140.55 161.32 38.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.132 0.491 . . . . 71.05 112.2 -176.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 449' ' ' TRP . . . . . 0.602 ' CZ2' ' HD3' ' P' ' 641' ' ' PRO . 97.8 m95 -99.17 -6.67 27.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.624 -0.716 . . . . 74.41 111.209 -178.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -103.94 129.37 51.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.894 -0.594 . . . . 75.15 111.385 -174.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 451' ' ' ASP . . . . . 0.425 ' HA ' ' HD3' ' W' ' 452' ' ' PRO . 5.3 t70 -67.15 132.53 93.56 Favored Pre-proline 0 C--O 1.237 0.438 0 CA-C-O 121.191 0.52 . . . . 72.23 111.769 175.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 452' ' ' PRO . . . . . 0.863 ' HB2' ' HG3' ' W' ' 457' ' ' PRO . 44.0 Cg_endo -96.56 17.25 0.67 Allowed 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 124.093 3.195 . . . . 62.11 113.348 179.3 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 453' ' ' ARG . . . . . 0.489 ' HE ' ' HA ' ' W' ' 453' ' ' ARG . 2.1 mmp_? -93.37 -39.63 10.83 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.844 0.354 . . . . 74.33 110.476 178.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 454' ' ' LEU . . . . . 0.409 ' H ' ' HG ' ' W' ' 454' ' ' LEU . 3.4 pp -84.07 -1.97 55.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 71.24 111.376 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -147.94 170.86 16.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.822 -0.626 . . . . 74.13 109.846 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 456' ' ' ILE . . . . . . . . . . . . . 45.8 mm -87.24 118.3 69.76 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.055 -0.72 . . . . 65.11 109.055 177.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 457' ' ' PRO . . . . . 0.863 ' HG3' ' HB2' ' W' ' 452' ' ' PRO . 51.5 Cg_exo -52.22 115.42 2.17 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 123.3 2.667 . . . . 73.23 113.215 -177.001 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 116.083 -0.508 . . . . 71.33 110.837 179.275 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 9.5 m . . . . . 0 C--O 1.236 0.344 0 CA-C-O 121.047 0.451 . . . . 71.55 110.972 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' P' P ' 639' ' ' ALA . . . . . 0.426 ' HA ' ' HD3' ' P' ' 640' ' ' PRO . . . -103.52 139.59 20.26 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.044 -0.526 . . . . 52.23 110.56 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 640' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' P' ' 639' ' ' ALA . 32.9 Cg_exo -61.17 138.65 79.11 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.649 2.233 . . . . 64.32 111.513 178.146 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 641' ' ' PRO . . . . . 0.602 ' HD3' ' CZ2' ' W' ' 449' ' ' TRP . 57.2 Cg_endo -70.54 145.41 52.59 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.429 2.086 . . . . 71.01 111.838 -178.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 642' ' ' PRO . . . . . 0.723 ' HG2' HD21 ' P' ' 647' ' ' LEU . 20.8 Cg_endo -62.45 170.11 7.23 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.842 2.361 . . . . 62.01 112.228 179.323 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -70.58 151.05 45.44 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.039 -0.528 . . . . 43.31 111.189 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 644' ' ' TYR . . . . . 0.445 ' HA ' HD12 ' P' ' 647' ' ' LEU . 86.7 t80 -59.78 -24.27 63.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.984 -0.553 . . . . 61.41 111.095 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -69.17 -18.53 63.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.887 -0.597 . . . . 75.4 112.185 -177.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 15.1 t -114.64 -0.5 13.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.553 0.692 . . . . 74.14 110.216 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' P' P ' 647' ' ' LEU . . . . . 0.723 HD21 ' HG2' ' P' ' 642' ' ' PRO . 63.9 mt -85.26 -6.86 59.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.676 -0.693 . . . . 74.33 111.051 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.877 -0.678 . . . . 62.12 111.937 179.81 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.821 0 N-CA-C 112.155 -0.378 . . . . 73.12 112.155 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 12.8 p -135.75 178.63 6.89 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.254 -0.276 . . . . 72.32 110.254 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 418' ' ' MET . . . . . . . . . . . . . 96.8 mmm -105.04 149.36 25.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.276 0.56 . . . . 72.25 111.307 -178.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 419' ' ' GLU . . . . . 0.444 ' H ' ' CD ' ' W' ' 419' ' ' GLU . 1.2 pm0 -86.72 41.61 0.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.26 -0.882 . . . . 75.44 111.044 -179.057 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -131.67 107.4 8.78 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.15 -0.685 . . . . 74.13 109.15 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . -84.13 17.64 26.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.941 -0.647 . . . . 35.42 113.687 -176.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 422' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -115.47 143.55 45.15 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.885 0.374 . . . . 74.42 110.374 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.41 141.03 34.23 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.097 -0.501 . . . . 72.31 110.816 -178.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 424' ' ' PRO . . . . . 0.515 ' HG2' ' CD1' ' W' ' 427' ' ' TRP . 28.8 Cg_endo -63.16 172.46 5.07 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 123.341 2.694 . . . . 63.3 113.153 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -43.18 119.8 1.66 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.096 -0.956 . . . . 55.01 113.033 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 83.75 -5.27 79.43 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 114.695 0.638 . . . . 24.43 114.695 175.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 427' ' ' TRP . . . . . 0.515 ' CD1' ' HG2' ' W' ' 424' ' ' PRO . 88.3 m95 -96.43 135.02 38.87 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 118.108 0.954 . . . . 64.12 111.057 -178.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -128.01 165.22 20.7 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.933 -1.136 . . . . 74.24 107.933 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 7.8 p -127.88 134.57 65.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 118.838 0.745 . . . . 73.42 110.35 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 430' ' ' ARG . . . . . 0.545 ' HB3' ' CE1' ' W' ' 438' ' ' PHE . 15.3 tpt180 -112.25 -154.28 0.54 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.441 -0.8 . . . . 73.35 110.153 -177.206 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 431' ' ' HIS . . . . . 0.538 ' H ' ' HG3' ' W' ' 430' ' ' ARG . 27.8 t-80 -152.19 115.2 4.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.756 0.313 . . . . 63.24 110.268 -169.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 432' ' ' ALA . . . . . 0.472 ' HB1' ' HD2' ' W' ' 433' ' ' PRO . . . -84.93 158.34 59.06 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.218 -0.446 . . . . 53.43 110.217 178.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 433' ' ' PRO . . . . . 0.472 ' HD2' ' HB1' ' W' ' 432' ' ' ALA . 22.8 Cg_endo -60.76 -15.26 36.57 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.257 2.638 . . . . 71.54 113.279 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -90.58 1.83 56.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.96 0.41 . . . . 73.44 110.36 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 83.03 16.91 68.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.004 -0.617 . . . . 73.12 111.592 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 436' ' ' ARG . . . . . . . . . . . . . 36.6 mmm-85 -101.06 131.35 23.37 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.53 -0.335 . . . . 73.11 110.572 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -83.71 130.39 5.1 Favored 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 122.332 2.021 . . . . 63.45 112.123 178.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 438' ' ' PHE . . . . . 0.545 ' CE1' ' HB3' ' W' ' 430' ' ' ARG . 38.3 p90 -120.86 150.94 40.27 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.354 -0.61 . . . . 75.23 109.354 175.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -98.34 140.39 32.68 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.268 0.556 . . . . 74.43 111.568 -174.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 440' ' ' ILE . . . . . 0.647 HG12 HG23 ' W' ' 447' ' ' THR . 34.6 mt -119.71 123.09 70.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.595 -0.729 . . . . 74.42 109.726 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 441' ' ' ASP . . . . . 0.516 ' OD2' HG22 ' W' ' 444' ' ' THR . 15.4 t70 -94.82 121.26 36.24 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.112 0.482 . . . . 73.1 110.988 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -77.9 -16.3 58.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.78 -0.645 . . . . 74.34 111.369 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -72.54 -57.5 4.11 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.179 0.437 . . . . 62.01 112.179 -175.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 444' ' ' THR . . . . . 0.516 HG22 ' OD2' ' W' ' 441' ' ' ASP . 15.0 t -103.9 10.13 36.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.882 0.372 . . . . 74.22 111.218 -177.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? 60.02 54.95 3.95 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.013 -0.539 . . . . 71.42 111.106 177.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 7.2 t -135.97 163.95 29.11 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.257 -0.577 . . . . 62.23 111.395 -178.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 447' ' ' THR . . . . . 0.647 HG23 HG12 ' W' ' 440' ' ' ILE . 7.5 m -128.54 140.8 51.61 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.282 -0.636 . . . . 51.31 109.282 177.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 9.6 t -151.48 166.87 29.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.28 0.562 . . . . 71.15 111.866 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -99.35 -7.07 26.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.439 -0.801 . . . . 73.5 109.81 178.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -76.91 149.98 36.01 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.365 -0.834 . . . . 61.1 111.236 -177.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -98.85 112.41 62.75 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-N 115.265 -0.88 . . . . 74.3 110.373 -177.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.3 -7.06 19.27 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.826 2.351 . . . . 70.14 113.598 -177.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 453' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -83.26 -43.06 16.48 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.081 -0.387 . . . . 73.35 111.955 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 2.7 pp -89.81 -10.05 46.91 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.447 0.536 . . . . 62.14 112.447 -175.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -145.74 165.8 27.72 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.124 -0.324 . . . . 55.13 110.124 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 456' ' ' ILE . . . . . 0.635 HD12 ' HD2' ' W' ' 457' ' ' PRO . 6.1 tp -94.06 125.28 53.35 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.641 -0.503 . . . . 72.41 109.641 178.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 457' ' ' PRO . . . . . 0.635 ' HD2' HD12 ' W' ' 456' ' ' ILE . 31.6 Cg_exo -60.0 172.05 2.59 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.98 2.454 . . . . 64.41 112.809 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.613 0 CA-C-N 115.594 -0.73 . . . . 54.25 110.627 -178.774 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 7.7 m . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.746 0.308 . . . . 71.11 111.086 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' P' P ' 639' ' ' ALA . . . . . . . . . . . . . . . -119.55 144.91 37.78 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.129 -0.487 . . . . 35.15 109.837 177.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.39 133.13 54.66 Favored 'Trans proline' 0 C--O 1.237 0.437 0 C-N-CA 122.613 2.208 . . . . 70.24 112.216 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 641' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.23 153.01 40.42 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.796 2.331 . . . . 52.24 112.678 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 642' ' ' PRO . . . . . 0.608 ' HG2' ' HB3' ' P' ' 647' ' ' LEU . 59.4 Cg_endo -72.26 171.36 17.06 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.771 2.314 . . . . 51.23 112.205 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 643' ' ' ALA . . . . . 0.482 ' HB3' ' OG1' ' P' ' 646' ' ' THR . . . -68.81 156.6 38.09 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.209 -0.451 . . . . 73.55 110.484 178.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -58.63 -47.75 83.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.201 -0.454 . . . . 73.25 111.687 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -72.15 -19.52 61.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.278 0.561 . . . . 73.34 110.368 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' P' P ' 646' ' ' THR . . . . . 0.482 ' OG1' ' HB3' ' P' ' 643' ' ' ALA . 86.0 m -81.24 -40.41 23.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.364 -0.834 . . . . 71.44 111.185 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 647' ' ' LEU . . . . . 0.608 ' HB3' ' HG2' ' P' ' 642' ' ' PRO . 4.5 pp -80.38 -20.99 42.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.282 -0.417 . . . . 72.34 111.167 -178.558 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.768 -0.73 . . . . 62.23 112.359 179.663 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 111.666 -0.573 . . . . 63.41 111.666 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 23.1 m -114.72 149.24 37.14 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.019 0.438 . . . . 70.03 110.942 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 418' ' ' MET . . . . . . . . . . . . . 11.7 tpt -127.12 101.15 6.4 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.135 -0.691 . . . . 61.13 109.135 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 419' ' ' GLU . . . . . 0.421 ' HG2' ' H ' ' W' ' 419' ' ' GLU . 8.6 pt-20 -80.26 32.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.646 0.61 . . . . 73.34 112.646 -175.344 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 12.5 tm0? -65.94 -64.15 0.92 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.84 -0.8 . . . . 61.21 108.84 176.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . 130.15 -51.79 0.85 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.615 -0.803 . . . . 65.43 113.392 176.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 422' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -125.96 -172.59 2.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.773 0.32 . . . . 62.5 111.255 -176.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 423' ' ' LEU . . . . . 0.517 HD13 ' HD3' ' W' ' 453' ' ' ARG . 2.9 mm? -92.74 151.15 40.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.164 -0.471 . . . . 61.43 110.225 -178.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 424' ' ' PRO . . . . . 0.473 ' HB2' ' CD1' ' W' ' 427' ' ' TRP . 35.8 Cg_exo -57.95 156.07 30.42 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.585 2.19 . . . . 74.41 111.008 177.054 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -76.35 108.52 9.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.248 0.546 . . . . 74.3 110.54 -176.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 130.1 -20.27 5.07 Favored Glycine 0 N--CA 1.444 -0.8 0 N-CA-C 111.005 -0.838 . . . . 72.14 111.005 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 427' ' ' TRP . . . . . 0.473 ' CD1' ' HB2' ' W' ' 424' ' ' PRO . 70.8 m95 -100.63 118.94 37.79 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.931 -0.396 . . . . 75.13 109.931 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -119.4 149.69 41.42 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.18 -0.674 . . . . 54.23 109.18 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 14.0 p -103.94 135.79 40.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-O 121.738 0.78 . . . . 63.43 111.889 -177.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 430' ' ' ARG . . . . . 0.583 ' HA ' ' HE ' ' W' ' 430' ' ' ARG . 0.6 OUTLIER -117.27 -156.13 0.62 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.856 -1.065 . . . . 72.53 110.427 -178.618 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -152.53 108.01 3.29 Favored 'General case' 0 CA--C 1.52 -0.183 0 O-C-N 122.1 -0.375 . . . . 72.25 110.592 -170.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -77.49 152.19 80.93 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 110.003 -0.369 . . . . 74.02 110.003 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.75 -25.29 41.83 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.966 2.444 . . . . 71.4 112.858 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 434' ' ' ASN . . . . . 0.666 HD21 ' N ' ' P' ' 638' ' ' THR . 3.2 m-20 -72.52 -4.49 30.87 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.391 -0.368 . . . . 74.43 111.698 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 84.49 23.0 52.47 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.784 -0.722 . . . . 75.24 111.583 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 436' ' ' ARG . . . . . 0.546 ' HD3' ' HD2' ' W' ' 437' ' ' PRO . 0.4 OUTLIER -117.79 122.31 30.8 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.466 -0.568 . . . . 64.53 109.466 -178.099 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' W' W ' 437' ' ' PRO . . . . . 0.546 ' HD2' ' HD3' ' W' ' 436' ' ' ARG . 3.7 Cg_exo -75.48 142.12 26.07 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.86 2.374 . . . . 42.35 111.978 178.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 438' ' ' PHE . . . . . 0.567 ' CE1' HD11 ' W' ' 440' ' ' ILE . 51.7 p90 -133.1 155.8 48.58 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.956 -0.387 . . . . 44.43 109.956 176.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -99.71 143.56 29.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.254 0.55 . . . . 62.24 111.273 -177.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 440' ' ' ILE . . . . . 0.609 HG13 HG22 ' W' ' 447' ' ' THR . 3.6 mp -120.04 127.53 75.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.387 -0.824 . . . . 53.12 110.423 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 441' ' ' ASP . . . . . 0.493 ' OD2' HG22 ' W' ' 444' ' ' THR . 19.9 t70 -91.53 112.33 24.2 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.193 -0.912 . . . . 73.23 109.565 177.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -79.85 -6.3 57.12 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.84 -0.618 . . . . 71.34 111.194 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -76.24 -57.13 4.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 64.22 111.304 -177.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 444' ' ' THR . . . . . 0.493 HG22 ' OD2' ' W' ' 441' ' ' ASP . 14.0 t -109.29 5.35 23.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.572 0.225 . . . . 65.12 111.415 -179.141 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp 66.62 66.47 0.45 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.085 -0.507 . . . . 70.24 111.948 176.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 15.2 t -141.95 154.92 45.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.86 0.362 . . . . 74.44 111.285 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 447' ' ' THR . . . . . 0.609 HG22 HG13 ' W' ' 440' ' ' ILE . 68.4 p -112.16 141.27 46.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.006 -0.543 . . . . 72.23 109.881 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 14.8 t -148.93 163.8 36.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.165 0.507 . . . . 70.24 111.588 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 449' ' ' TRP . . . . . 0.755 ' HZ2' ' HD3' ' P' ' 641' ' ' PRO . 82.9 m95 -105.33 -4.93 20.96 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.638 -0.71 . . . . 74.14 110.798 -178.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -86.53 155.08 20.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.806 -0.634 . . . . 70.31 110.786 -175.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 451' ' ' ASP . . . . . 0.49 ' HB3' ' HG ' ' W' ' 454' ' ' LEU . 11.1 t0 -98.19 116.45 65.57 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 109.204 -0.665 . . . . 71.52 109.204 -179.449 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.27 -14.19 37.21 Favored 'Trans proline' 0 CA--C 1.53 0.302 0 C-N-CA 122.61 2.206 . . . . 74.55 114.14 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 453' ' ' ARG . . . . . 0.517 ' HD3' HD13 ' W' ' 423' ' ' LEU . 82.8 mtm180 -80.86 -38.95 27.26 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.145 0.424 . . . . 71.44 112.145 -178.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 454' ' ' LEU . . . . . 0.49 ' HG ' ' HB3' ' W' ' 451' ' ' ASP . 3.7 pp -79.07 -3.71 46.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.222 0.534 . . . . 61.42 111.165 -178.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 455' ' ' LYS . . . . . 0.421 ' HG3' HD12 ' W' ' 454' ' ' LEU . 51.0 mtpt -103.09 138.33 40.08 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.862 -0.792 . . . . 44.13 108.862 175.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 456' ' ' ILE . . . . . . . . . . . . . 3.6 mp -115.86 103.6 53.43 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-O 121.176 0.512 . . . . 73.31 110.1 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 457' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -73.39 119.16 5.83 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.812 2.341 . . . . 71.11 110.529 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.552 0 N-CA-C 110.194 -0.299 . . . . 51.4 110.194 -177.302 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' P' P ' 638' ' ' THR . . . . . 0.666 ' N ' HD21 ' W' ' 434' ' ' ASN . 14.3 p . . . . . 0 N--CA 1.455 -0.205 0 CA-C-O 120.993 0.425 . . . . 73.2 111.175 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 639' ' ' ALA . . . . . . . . . . . . . . . -123.86 112.78 28.71 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.214 -0.448 . . . . 73.13 110.968 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -67.16 169.53 15.02 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 123.003 2.469 . . . . 65.13 111.725 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 641' ' ' PRO . . . . . 0.755 ' HD3' ' HZ2' ' W' ' 449' ' ' TRP . 36.5 Cg_endo -64.98 130.76 26.73 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.204 1.936 . . . . 52.24 111.741 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 642' ' ' PRO . . . . . 0.441 ' HD2' ' HZ ' ' W' ' 438' ' ' PHE . 23.9 Cg_exo -63.93 169.68 10.0 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 123.36 2.707 . . . . 54.11 113.425 -178.204 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -74.05 157.1 36.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.611 -0.722 . . . . 62.4 110.769 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -55.78 -42.66 75.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.923 -0.581 . . . . 63.5 112.112 -176.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -67.37 -24.1 65.66 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.929 0.714 . . . . 51.43 112.929 -176.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 13.1 t -102.93 -17.06 15.66 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.393 -0.523 . . . . 70.24 112.216 -177.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 647' ' ' LEU . . . . . . . . . . . . . 3.9 pp -90.65 -5.21 56.11 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 121.929 -0.482 . . . . 63.21 111.358 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.295 0 C-N-CA 120.841 -0.695 . . . . 72.43 112.545 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.805 0 N-CA-C 112.052 -0.419 . . . . 52.15 112.052 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 53.7 m -79.06 95.6 5.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.061 0.458 . . . . 52.44 110.363 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 418' ' ' MET . . . . . 0.455 ' H ' ' HG3' ' W' ' 418' ' ' MET . 0.4 OUTLIER -65.01 -40.96 95.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.654 -0.703 . . . . 70.21 110.43 178.458 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' W' W ' 419' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 51.33 65.46 1.48 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.528 -0.76 . . . . 72.11 111.723 175.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -160.88 153.17 20.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.318 -0.401 . . . . 73.32 110.278 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . -116.01 32.15 5.76 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.532 -0.842 . . . . 62.1 112.427 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 422' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -117.79 115.95 26.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.305 0.574 . . . . 74.22 110.01 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 423' ' ' LEU . . . . . 0.554 ' HB3' ' HB2' ' W' ' 427' ' ' TRP . 2.8 mm? -107.79 163.38 17.08 Favored Pre-proline 0 C--N 1.318 -0.789 0 CA-C-N 115.351 -0.84 . . . . 72.12 111.157 -177.016 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.96 164.91 11.19 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.867 2.378 . . . . 74.14 111.864 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -58.27 106.98 0.43 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.736 0.779 . . . . 74.21 112.185 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 111.68 -3.7 27.64 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.489 -0.778 . . . . 75.21 111.709 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 427' ' ' TRP . . . . . 0.554 ' HB2' ' HB3' ' W' ' 423' ' ' LEU . 46.0 m95 -101.78 123.5 45.84 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.838 -0.43 . . . . 65.23 109.838 178.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -114.49 155.49 26.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.373 -0.376 . . . . 74.32 109.99 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 5.8 p -107.19 133.46 51.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.563 0.697 . . . . 74.14 110.618 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 430' ' ' ARG . . . . . 0.431 ' HD2' ' HA ' ' W' ' 430' ' ' ARG . 0.9 OUTLIER -114.29 -155.06 0.56 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.378 -0.828 . . . . 64.15 111.508 -176.614 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -152.68 108.42 3.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.952 -0.567 . . . . 73.34 109.857 -172.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -87.51 150.31 48.48 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.23 -0.441 . . . . 65.52 110.393 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.67 -31.62 51.07 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.3 2.667 . . . . 65.42 113.488 -178.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -68.38 -14.44 63.0 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 111.882 0.327 . . . . 70.3 111.882 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 99.49 22.97 11.58 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.61 -0.805 . . . . 61.42 112.469 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 436' ' ' ARG . . . . . 0.443 ' HA ' ' HD3' ' W' ' 437' ' ' PRO . 26.8 mmm180 -114.82 133.29 22.62 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 120.563 0.22 . . . . 74.55 110.484 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 437' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' W' ' 436' ' ' ARG . 5.2 Cg_endo -84.97 98.88 0.69 Allowed 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.762 2.308 . . . . 72.11 111.985 178.318 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -88.84 143.18 27.06 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.045 -0.354 . . . . 72.14 110.045 179.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -90.39 152.05 21.16 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.95 -178.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 440' ' ' ILE . . . . . 0.798 HG12 HG22 ' W' ' 447' ' ' THR . 47.1 mt -127.08 124.04 63.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.752 -0.658 . . . . 53.11 110.769 -178.074 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 441' ' ' ASP . . . . . 0.467 ' HB3' HG22 ' W' ' 446' ' ' THR . 8.7 t70 -90.91 116.59 28.85 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.018 -0.537 . . . . 74.55 109.988 178.349 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -76.06 -13.12 60.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.403 -0.362 . . . . 73.21 111.923 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -69.59 -56.53 7.06 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.758 0.281 . . . . 64.01 111.758 -177.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 444' ' ' THR . . . . . 0.45 HG22 ' OD2' ' W' ' 441' ' ' ASP . 14.2 t -111.51 6.69 20.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.954 0.407 . . . . 72.42 110.735 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 445' ' ' LYS . . . . . 0.454 ' HE2' ' HB2' ' W' ' 445' ' ' LYS . 3.7 mppt? 57.43 64.66 1.53 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.463 -0.789 . . . . 74.3 111.309 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 446' ' ' THR . . . . . 0.467 HG22 ' HB3' ' W' ' 441' ' ' ASP . 14.6 t -129.88 150.22 51.26 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.938 -0.573 . . . . 74.02 109.93 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 447' ' ' THR . . . . . 0.798 HG22 HG12 ' W' ' 440' ' ' ILE . 8.1 p -110.45 140.72 44.43 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.555 -0.293 . . . . 75.43 110.315 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 11.3 t -136.8 142.73 42.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.412 0.625 . . . . 63.31 111.626 -178.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -96.98 -7.4 33.16 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.494 -0.775 . . . . 74.53 109.254 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -90.46 154.47 19.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.237 -1.347 . . . . 73.03 109.67 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 451' ' ' ASP . . . . . 0.427 ' CG ' ' HG2' ' W' ' 418' ' ' MET . 21.3 t70 -91.86 124.62 59.81 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.351 . . . . 64.51 111.154 -178.396 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -84.04 -7.6 10.17 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.784 2.323 . . . . 53.32 113.502 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 453' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -77.74 -48.73 15.93 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.604 0.594 . . . . 72.14 112.604 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 4.5 pp -77.99 -14.9 59.36 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.06 0.393 . . . . 61.02 112.06 -176.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -147.34 143.51 28.08 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.465 -0.569 . . . . 72.4 109.465 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 456' ' ' ILE . . . . . . . . . . . . . 4.3 mp -129.97 115.92 17.86 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 109.66 -0.496 . . . . 73.01 109.66 -176.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 457' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.76 138.71 45.77 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.396 2.064 . . . . 70.52 111.61 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.594 -0.276 . . . . 70.04 110.515 -178.743 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 12.0 m . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 121.053 0.454 . . . . 73.11 110.797 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' P' P ' 639' ' ' ALA . . . . . . . . . . . . . . . -120.22 139.39 28.43 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.965 -0.561 . . . . 65.44 109.49 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 640' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' P' ' 641' ' ' PRO . 15.5 Cg_endo -57.82 132.56 50.61 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.3 2.0 . . . . 74.25 111.884 -179.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 641' ' ' PRO . . . . . 0.516 ' HA ' ' HD3' ' P' ' 642' ' ' PRO . 72.7 Cg_endo -87.07 152.46 8.28 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 122.847 2.364 . . . . 74.24 112.329 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 642' ' ' PRO . . . . . 0.516 ' HD3' ' HA ' ' P' ' 641' ' ' PRO . 12.6 Cg_exo -71.33 167.54 25.97 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.187 2.591 . . . . 73.04 112.401 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -76.2 171.56 14.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 64.34 111.41 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -63.49 -47.36 82.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.689 -0.687 . . . . 74.13 111.675 -176.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -71.84 -17.05 62.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.381 0.61 . . . . 70.05 110.323 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 42.1 m -78.38 -33.26 48.98 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.299 -0.864 . . . . 74.01 110.345 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 647' ' ' LEU . . . . . . . . . . . . . 4.3 pp -97.62 -17.55 19.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.942 -0.572 . . . . 70.01 111.627 -177.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.756 -0.735 . . . . 70.5 112.582 179.34 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.569 0 N-CA-C 111.795 -0.522 . . . . 74.31 111.795 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 19.3 m -88.92 158.67 17.99 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.963 0.411 . . . . 73.01 110.561 -178.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 418' ' ' MET . . . . . 0.927 ' HB3' ' HB3' ' W' ' 453' ' ' ARG . 2.0 mpt? -79.91 76.94 6.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.043 -0.526 . . . . 72.24 109.774 179.06 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 419' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -90.19 -171.44 3.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.75 -0.659 . . . . 74.11 111.936 -177.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -86.68 61.98 7.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.55 0.69 . . . . 74.02 110.191 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . -168.31 -14.68 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.433 -0.803 . . . . 71.24 112.085 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 422' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -113.57 57.54 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.193 -0.669 . . . . 75.34 109.193 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.43 156.26 91.75 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.287 -0.87 . . . . 72.21 111.241 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -63.39 155.74 60.39 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.425 2.083 . . . . 75.32 110.633 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 425' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' W' ' 425' ' ' LYS . 24.5 tptp -66.94 107.91 2.4 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.011 0.434 . . . . 71.24 110.782 -175.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 126.9 -10.44 7.05 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.838 -0.696 . . . . 44.53 111.939 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 427' ' ' TRP . . . . . . . . . . . . . 48.3 m95 -85.85 170.82 12.03 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.116 0.484 . . . . 63.12 111.567 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 428' ' ' GLU . . . . . 0.664 ' HB3' ' HB ' ' W' ' 440' ' ' ILE . 11.0 tp10 -148.52 140.37 23.79 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.343 -0.984 . . . . 74.25 108.343 -175.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 64.6 t -103.19 135.55 40.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.129 -0.693 . . . . 73.23 109.129 177.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 430' ' ' ARG . . . . . 0.476 ' HA ' ' NE ' ' W' ' 430' ' ' ARG . 0.2 OUTLIER -127.93 -161.33 1.08 Allowed 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.837 -0.345 . . . . 74.43 110.379 -179.056 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' W' W ' 431' ' ' HIS . . . . . 0.432 ' HA ' ' HA ' ' W' ' 437' ' ' PRO . 42.7 m80 -155.97 131.52 9.61 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.171 -0.307 . . . . 72.13 110.171 -170.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -94.95 150.07 37.22 Favored Pre-proline 0 C--N 1.318 -0.79 0 N-CA-C 108.705 -0.85 . . . . 71.15 108.705 174.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -57.47 -16.43 23.48 Favored 'Trans proline' 0 N--CA 1.473 0.323 0 C-N-CA 122.96 2.44 . . . . 75.24 112.774 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -82.18 -9.16 59.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 71.43 111.181 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 105.57 -16.74 44.0 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.813 -0.708 . . . . 65.11 112.862 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 436' ' ' ARG . . . . . 0.498 ' HA ' ' HD3' ' W' ' 437' ' ' PRO . 18.9 mmm180 -82.88 122.88 78.28 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-O 120.843 0.354 . . . . 44.24 111.292 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 437' ' ' PRO . . . . . 0.498 ' HD3' ' HA ' ' W' ' 436' ' ' ARG . 3.6 Cg_exo -81.12 141.05 12.77 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 123.255 2.637 . . . . 71.21 112.027 178.244 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -124.82 162.05 25.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.887 -0.412 . . . . 72.32 109.887 177.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -105.39 146.94 28.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.18 -0.463 . . . . 73.32 111.335 -175.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 440' ' ' ILE . . . . . 0.889 HG12 HG22 ' W' ' 447' ' ' THR . 49.1 mt -127.21 146.87 32.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.401 -0.818 . . . . 73.43 109.949 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 441' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -114.88 124.24 51.22 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.211 -0.292 . . . . 72.41 110.211 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 442' ' ' HIS . . . . . 0.55 ' NE2' ' HB2' ' W' ' 428' ' ' GLU . 57.4 m170 -72.8 -21.89 60.91 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.288 0.477 . . . . 75.22 112.288 -178.463 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -72.02 -58.11 3.72 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.244 0.461 . . . . 70.05 112.244 -173.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 444' ' ' THR . . . . . . . . . . . . . 14.9 t -101.57 -4.67 26.25 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 121.126 -0.23 . . . . 72.11 111.186 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm 65.29 64.63 0.6 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.967 -0.56 . . . . 73.34 111.172 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 15.1 t -132.47 156.96 45.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.259 -0.428 . . . . 64.11 110.913 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 447' ' ' THR . . . . . 0.889 HG22 HG12 ' W' ' 440' ' ' ILE . 32.1 p -120.92 145.28 47.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.999 -0.546 . . . . 63.24 109.781 178.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 9.9 t -146.94 154.16 40.95 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.238 0.542 . . . . 73.11 111.949 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -99.57 -7.98 25.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.293 -0.867 . . . . 75.52 109.44 176.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -86.2 146.88 26.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.381 -0.827 . . . . 72.45 109.365 -177.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -85.55 118.66 71.1 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.503 -0.317 . . . . 71.43 110.376 -175.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.93 -12.3 26.03 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.795 2.33 . . . . 51.04 113.418 -177.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 453' ' ' ARG . . . . . 0.927 ' HB3' ' HB3' ' W' ' 418' ' ' MET . 4.7 mmp_? -92.33 -36.03 13.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.998 -0.439 . . . . 74.43 111.728 177.321 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 91.0 mt -79.4 -29.27 41.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.442 0.639 . . . . 71.32 109.861 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -106.72 127.77 53.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.193 -0.912 . . . . 74.11 108.79 177.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 456' ' ' ILE . . . . . 0.468 ' HA ' ' HD3' ' W' ' 457' ' ' PRO . 23.1 pt -145.98 146.81 29.85 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 120.52 0.2 . . . . 75.25 110.489 -173.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 457' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' W' ' 456' ' ' ILE . 7.5 Cg_exo -73.72 123.94 8.89 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.832 2.355 . . . . 73.54 111.513 178.009 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.614 0 CA-C-N 116.502 -0.317 . . . . 72.15 110.868 -178.94 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 25.0 m . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.782 0.325 . . . . 75.22 110.518 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' P' P ' 639' ' ' ALA . . . . . . . . . . . . . . . -100.7 138.22 20.04 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.171 -0.468 . . . . 62.23 111.053 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.95 146.77 92.72 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.859 2.373 . . . . 64.12 112.343 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 641' ' ' PRO . . . . . 0.438 ' HA ' ' HD2' ' P' ' 642' ' ' PRO . 53.9 Cg_endo -72.66 127.52 12.48 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.285 1.99 . . . . 74.42 112.277 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 642' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' P' ' 641' ' ' PRO . 26.6 Cg_endo -61.89 153.42 68.42 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.692 2.261 . . . . 70.33 111.997 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 643' ' ' ALA . . . . . 0.546 ' O ' HG22 ' P' ' 646' ' ' THR . . . -64.98 143.23 58.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.173 -0.467 . . . . 61.4 111.208 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -63.2 -29.67 70.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.251 -0.432 . . . . 73.34 110.646 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -71.79 -12.78 61.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.959 -0.564 . . . . 63.23 112.477 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' P' P ' 646' ' ' THR . . . . . 0.546 HG22 ' O ' ' P' ' 643' ' ' ALA . 14.4 t -108.77 -12.85 14.87 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.479 -0.488 . . . . 75.32 111.18 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 647' ' ' LEU . . . . . 0.465 HD22 ' HG2' ' W' ' 430' ' ' ARG . 4.5 pp -104.49 -17.94 14.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.992 0.425 . . . . 70.3 110.894 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.422 0 C-N-CA 121.039 -0.601 . . . . 71.05 111.961 179.283 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.921 0 N-CA-C 112.115 -0.394 . . . . 75.03 112.115 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 14.8 m 58.31 27.83 15.83 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.717 0.407 . . . . 71.23 111.598 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 418' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 63.81 23.71 13.51 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.112 -0.495 . . . . 70.41 112.176 -179.236 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 419' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -89.46 8.53 30.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 122.209 1.004 . . . . 75.41 108.627 177.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -112.79 118.15 34.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.497 -1.229 . . . . 74.55 109.139 179.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . -67.56 81.42 0.16 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 121.318 -0.467 . . . . 71.23 113.208 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 422' ' ' PHE . . . . . 0.617 ' O ' ' HD2' ' W' ' 453' ' ' ARG . 67.6 t80 -115.6 111.52 20.79 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.863 -0.792 . . . . 74.31 108.863 176.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 423' ' ' LEU . . . . . 0.586 ' HB3' ' HB2' ' W' ' 427' ' ' TRP . 3.1 mm? -125.84 156.66 71.01 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 116.208 -0.451 . . . . 64.42 111.428 -176.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -64.6 173.24 5.71 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.943 2.428 . . . . 70.2 111.291 176.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -71.61 109.85 5.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.326 0.584 . . . . 74.33 110.291 -176.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 122.63 -30.79 5.02 Favored Glycine 0 N--CA 1.441 -0.993 0 CA-C-N 115.559 -0.746 . . . . 73.45 111.238 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 427' ' ' TRP . . . . . 0.586 ' HB2' ' HB3' ' W' ' 423' ' ' LEU . 70.7 m95 -81.82 170.76 15.31 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.58 0.228 . . . . 55.33 110.606 179.132 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 428' ' ' GLU . . . . . 0.559 ' HB3' ' HB ' ' W' ' 440' ' ' ILE . 12.2 tp10 -155.41 164.57 38.55 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.209 -1.034 . . . . 70.5 108.209 -175.456 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 429' ' ' VAL . . . . . 0.449 ' HB ' HD21 ' W' ' 423' ' ' LEU . 13.6 p -125.98 138.92 53.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 118.378 0.535 . . . . 73.22 110.805 175.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 430' ' ' ARG . . . . . 0.516 ' HG3' ' H ' ' W' ' 431' ' ' HIS . 12.4 tpt180 -120.83 -159.68 0.81 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.703 -0.851 . . . . 75.54 108.703 -179.127 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 431' ' ' HIS . . . . . 0.516 ' H ' ' HG3' ' W' ' 430' ' ' ARG . 29.9 m80 -154.16 115.14 4.04 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.563 -0.532 . . . . 62.23 109.563 -173.189 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -79.58 149.13 71.04 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 109.909 -0.404 . . . . 61.43 109.909 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.53 -28.6 46.03 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.17 2.58 . . . . 65.53 112.763 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -70.35 -8.35 49.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.965 -0.561 . . . . 65.13 111.812 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 92.37 24.81 23.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.166 -1.016 . . . . 70.31 111.292 -178.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 436' ' ' ARG . . . . . . . . . . . . . 22.0 tpt180 -117.53 114.68 37.97 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.527 -0.337 . . . . 61.03 110.222 -176.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.14 112.66 3.58 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.296 1.997 . . . . 53.33 112.532 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -106.21 147.6 28.89 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.112 -0.699 . . . . 65.43 109.112 176.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 439' ' ' PHE . . . . . 0.511 ' HB2' HG23 ' W' ' 448' ' ' THR . 45.2 m-85 -89.56 158.81 17.5 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.445 0.64 . . . . 72.41 111.653 -176.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 440' ' ' ILE . . . . . 0.804 HG12 HG22 ' W' ' 447' ' ' THR . 35.5 mt -129.58 152.54 37.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.191 -0.913 . . . . 71.12 108.801 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 441' ' ' ASP . . . . . 0.613 ' OD2' HG22 ' W' ' 444' ' ' THR . 25.4 t70 -117.15 126.38 52.71 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 121.083 -0.247 . . . . 73.22 110.564 176.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -78.59 -22.99 46.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.795 -0.184 . . . . 65.05 111.007 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -66.8 -57.89 6.16 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.674 0.273 . . . . 52.21 111.017 -175.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 444' ' ' THR . . . . . 0.732 HG23 HG22 ' W' ' 446' ' ' THR . 9.0 t -95.48 -6.11 41.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.003 0.43 . . . . 75.21 110.136 178.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm 66.1 29.83 9.74 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.233 0.827 . . . . 61.02 113.233 174.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 446' ' ' THR . . . . . 0.732 HG22 HG23 ' W' ' 444' ' ' THR . 11.8 t -115.62 -178.86 3.49 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.674 -0.491 . . . . 61.02 109.674 177.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 447' ' ' THR . . . . . 0.804 HG22 HG12 ' W' ' 440' ' ' ILE . 3.0 p -109.32 153.68 23.57 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.931 -0.396 . . . . 62.3 109.931 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 448' ' ' THR . . . . . 0.511 HG23 ' HB2' ' W' ' 439' ' ' PHE . 8.4 t -133.71 134.34 42.92 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.986 0.422 . . . . 72.0 111.135 -176.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 449' ' ' TRP . . . . . 0.414 ' HE1' ' HD3' ' P' ' 641' ' ' PRO . 49.9 m95 -94.09 -15.89 24.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.323 -0.399 . . . . 72.33 110.621 178.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -88.95 154.22 20.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.329 0.585 . . . . 74.34 110.339 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -86.33 120.89 72.51 Favored Pre-proline 0 C--N 1.316 -0.861 0 CA-C-N 115.219 -0.901 . . . . 74.44 112.55 -173.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 452' ' ' PRO . . . . . 0.495 ' HG2' HD12 ' W' ' 423' ' ' LEU . 97.3 Cg_endo -93.55 21.34 0.63 Allowed 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.711 2.941 . . . . 72.12 112.5 177.239 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 453' ' ' ARG . . . . . 0.794 ' NE ' ' HA ' ' W' ' 453' ' ' ARG . 2.5 mmp_? -101.01 -47.72 4.67 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.255 -0.884 . . . . 74.23 110.815 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 85.4 mt -85.77 5.55 31.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.104 -0.953 . . . . 74.23 110.49 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -118.47 133.33 55.96 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.202 -0.666 . . . . 52.22 109.202 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 456' ' ' ILE . . . . . . . . . . . . . 7.7 tt -121.26 109.67 34.93 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-O 121.144 0.497 . . . . 73.44 110.886 178.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 457' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -65.04 107.88 1.02 Allowed 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.778 2.319 . . . . 72.43 111.696 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 115.853 -0.612 . . . . 64.23 110.838 -179.82 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 22.6 m . . . . . 0 N--CA 1.454 -0.232 0 CA-C-O 120.924 0.392 . . . . 73.35 111.113 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' P' P ' 639' ' ' ALA . . . . . 0.427 ' HA ' ' HD3' ' P' ' 640' ' ' PRO . . . -116.43 133.62 22.96 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.16 -0.473 . . . . 64.24 110.483 178.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 640' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' P' ' 639' ' ' ALA . 16.5 Cg_exo -68.09 133.92 30.21 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.479 2.12 . . . . 43.31 111.522 178.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 641' ' ' PRO . . . . . 0.453 ' HA ' ' HD3' ' P' ' 642' ' ' PRO . 69.2 Cg_endo -76.33 138.72 20.23 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 122.345 2.03 . . . . 72.34 111.715 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 642' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' P' ' 641' ' ' PRO . 34.6 Cg_exo -61.31 154.53 57.74 Favored 'Trans proline' 0 CA--C 1.527 0.149 0 C-N-CA 122.807 2.338 . . . . 74.24 112.224 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 643' ' ' ALA . . . . . 0.47 ' O ' ' HG ' ' P' ' 647' ' ' LEU . . . -80.9 164.16 22.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.465 -0.334 . . . . 53.1 110.463 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -65.26 -15.61 62.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 74.51 111.376 -177.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -71.75 -34.34 69.41 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.468 -0.333 . . . . 73.11 111.665 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 14.5 t -94.73 -26.68 16.18 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.882 -0.327 . . . . 70.14 111.665 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' P' P ' 647' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' P' ' 643' ' ' ALA . 4.2 pp -101.4 7.06 42.79 Favored 'General case' 0 C--N 1.332 -0.175 0 O-C-N 122.025 -0.422 . . . . 74.34 111.399 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.409 0 C-N-CA 120.648 -0.787 . . . . 63.42 112.496 -179.64 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.669 0 N-CA-C 111.944 -0.462 . . . . 52.45 111.944 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 70.3 m -96.91 59.04 1.66 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.278 0.561 . . . . 43.23 110.26 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 418' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -80.68 75.63 7.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.698 0.761 . . . . 64.55 111.229 -177.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 419' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -113.05 -74.94 0.61 Allowed 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.712 -1.218 . . . . 72.44 107.712 175.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -154.58 138.72 16.5 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.761 -0.829 . . . . 64.23 108.761 172.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . -168.12 -109.6 0.22 Allowed Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.536 -0.84 . . . . 63.05 111.934 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 422' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -109.06 97.29 6.94 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.503 -0.554 . . . . 73.55 109.503 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -95.25 151.56 38.8 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.78 -0.646 . . . . 74.45 110.108 -178.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 424' ' ' PRO . . . . . 0.49 ' HG2' ' CD1' ' W' ' 427' ' ' TRP . 12.6 Cg_endo -58.0 161.69 12.74 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.601 2.201 . . . . 54.24 111.049 176.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -77.17 117.23 18.5 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.302 -0.559 . . . . 52.31 110.115 -175.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 124.62 -27.89 5.36 Favored Glycine 0 N--CA 1.442 -0.921 0 CA-C-N 115.276 -0.874 . . . . 65.44 110.953 -177.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 427' ' ' TRP . . . . . 0.519 ' HA ' ' O ' ' W' ' 440' ' ' ILE . 65.1 m95 -97.0 116.59 29.48 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.788 -0.449 . . . . 71.35 109.788 178.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -114.47 153.95 29.04 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.853 -0.339 . . . . 70.13 110.354 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 57.7 t -93.52 125.09 46.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.187 -0.461 . . . . 50.4 110.722 -178.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 430' ' ' ARG . . . . . 0.509 ' HG3' ' H ' ' W' ' 431' ' ' HIS . 11.5 tpt180 -109.42 -158.21 0.64 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.508 -0.315 . . . . 72.51 110.246 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 431' ' ' HIS . . . . . 0.509 ' H ' ' HG3' ' W' ' 430' ' ' ARG . 3.5 m80 -153.07 121.08 6.13 Favored 'General case' 0 C--N 1.331 -0.216 0 O-C-N 122.197 -0.314 . . . . 74.13 111.327 -171.24 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -97.5 159.08 31.97 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 109.292 -0.633 . . . . 63.02 109.292 175.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.86 -26.65 49.36 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.751 2.301 . . . . 73.45 113.003 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -75.22 -8.82 57.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.365 -0.38 . . . . 71.31 111.494 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 90.22 9.21 65.61 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 110.681 -0.968 . . . . 52.05 110.681 -176.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 436' ' ' ARG . . . . . 0.476 ' HA ' ' HD3' ' W' ' 437' ' ' PRO . 15.7 mmm180 -90.0 119.03 69.36 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 114.846 -0.677 . . . . 72.21 110.798 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 437' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' W' ' 436' ' ' ARG . 3.3 Cg_exo -81.49 116.63 2.97 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 122.981 2.454 . . . . 64.12 112.165 178.262 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 438' ' ' PHE . . . . . 0.47 ' HB3' ' CZ3' ' W' ' 449' ' ' TRP . 53.6 p90 -99.64 158.15 15.97 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.502 -0.479 . . . . 61.2 109.882 176.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -98.05 132.85 43.24 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.554 0.692 . . . . 63.43 111.64 -175.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 440' ' ' ILE . . . . . 0.531 HG12 HG22 ' W' ' 447' ' ' THR . 55.9 mt -105.84 121.92 58.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 114.86 -1.064 . . . . 63.44 109.987 178.611 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 441' ' ' ASP . . . . . 0.501 ' OD2' HG22 ' W' ' 444' ' ' THR . 11.9 t70 -97.53 117.74 32.48 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.975 0.417 . . . . 74.35 110.896 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -79.78 -23.05 42.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.084 -0.507 . . . . 73.01 111.381 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -58.31 -57.26 13.67 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.298 -0.41 . . . . 75.2 111.564 -175.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 444' ' ' THR . . . . . 0.501 HG22 ' OD2' ' W' ' 441' ' ' ASP . 9.0 t -106.97 -1.57 22.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.066 0.46 . . . . 61.43 110.07 178.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 27.2 mtmm 64.04 65.94 0.67 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.549 -0.75 . . . . 51.44 111.576 178.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 6.2 t -141.96 168.57 19.44 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.982 -1.008 . . . . 55.25 109.708 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 447' ' ' THR . . . . . 0.531 HG22 HG12 ' W' ' 440' ' ' ILE . 6.7 p -123.85 138.39 54.5 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.393 -0.225 . . . . 73.5 110.393 178.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 13.4 t -143.47 164.43 30.36 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.402 -0.519 . . . . 73.03 111.924 -177.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 449' ' ' TRP . . . . . 0.47 ' CZ3' ' HB3' ' W' ' 438' ' ' PHE . 95.9 m95 -102.87 -9.25 20.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.575 -0.739 . . . . 70.43 111.26 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -82.65 147.06 28.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.915 0.388 . . . . 54.31 110.411 -178.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 451' ' ' ASP . . . . . 0.57 ' O ' ' HG2' ' W' ' 455' ' ' LYS . 5.6 t70 -90.8 119.95 68.87 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.685 -0.689 . . . . 72.14 112.196 -176.429 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -84.22 28.13 0.58 Allowed 'Trans proline' 0 CA--C 1.532 0.402 0 C-N-CA 122.996 2.464 . . . . 72.31 112.122 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 453' ' ' ARG . . . . . 0.785 ' HA ' ' NE ' ' W' ' 453' ' ' ARG . 4.1 mmp_? -105.4 -54.18 2.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.56 -0.746 . . . . 75.42 110.88 -179.381 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 454' ' ' LEU . . . . . 0.488 ' HG ' ' OD2' ' W' ' 451' ' ' ASP . 3.9 pp -93.12 -24.86 18.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.566 -0.743 . . . . 75.53 112.098 -178.405 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 455' ' ' LYS . . . . . 0.57 ' HG2' ' O ' ' W' ' 451' ' ' ASP . 19.9 ptmt -116.87 153.14 33.04 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.606 -0.438 . . . . 54.21 110.186 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 456' ' ' ILE . . . . . . . . . . . . . 54.1 mt -79.13 120.36 80.43 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 115.808 -0.633 . . . . 75.41 109.88 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 457' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.74 177.61 3.34 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.881 2.387 . . . . 75.32 112.953 -179.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.469 -0.787 . . . . 72.4 110.639 -177.761 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 10.7 m . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 121.497 0.665 . . . . 65.43 110.465 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' P' P ' 639' ' ' ALA . . . . . . . . . . . . . . . -109.59 153.41 42.91 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.379 -0.828 . . . . 45.2 110.33 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -54.92 133.77 59.69 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.581 2.188 . . . . 45.1 112.21 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 641' ' ' PRO . . . . . 0.514 ' HA ' ' HD3' ' P' ' 642' ' ' PRO . 76.6 Cg_endo -78.7 147.66 22.13 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.92 2.413 . . . . 72.44 112.627 -178.699 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 642' ' ' PRO . . . . . 0.514 ' HD3' ' HA ' ' P' ' 641' ' ' PRO . 21.3 Cg_exo -65.29 163.67 28.47 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.948 2.432 . . . . 75.44 112.417 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -66.56 150.15 49.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.846 -0.616 . . . . 75.32 111.198 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -56.47 -36.91 69.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.744 -0.662 . . . . 75.22 111.372 -178.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -76.77 -12.87 60.04 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.727 0.639 . . . . 72.25 112.727 -177.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 4.8 t -117.72 -14.24 10.17 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.123 -0.631 . . . . 50.03 112.417 -176.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 647' ' ' LEU . . . . . . . . . . . . . 3.9 pp -79.15 -15.04 58.7 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.878 0.371 . . . . 74.23 111.054 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.524 0 CA-C-N 115.909 -0.587 . . . . 73.33 111.674 -179.616 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.959 0 N-CA-C 111.502 -0.639 . . . . 74.24 111.502 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 16.5 p -75.44 -36.19 60.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.549 0.69 . . . . 72.43 109.416 177.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 418' ' ' MET . . . . . . . . . . . . . 15.7 tpt -134.71 114.15 12.4 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.0 -1.0 . . . . 63.41 109.557 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 419' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -72.15 168.25 18.58 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.69 -0.485 . . . . 64.14 109.69 177.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 420' ' ' GLN . . . . . 0.469 ' HB2' HD21 ' W' ' 423' ' ' LEU . 0.8 OUTLIER -58.44 -45.18 89.03 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 111.745 0.276 . . . . 74.43 111.745 -175.849 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . 63.67 -123.27 28.49 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 120.511 -0.852 . . . . 54.45 112.497 178.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 422' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -110.56 114.43 27.83 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.146 -0.686 . . . . 73.32 109.146 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 423' ' ' LEU . . . . . 0.737 ' HB3' ' HB2' ' W' ' 427' ' ' TRP . 3.3 mm? -81.61 153.13 70.56 Favored Pre-proline 0 C--N 1.317 -0.836 0 CA-C-N 116.532 -0.304 . . . . 74.12 110.354 -179.418 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -60.13 159.88 24.61 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.471 2.114 . . . . 74.13 111.133 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 3.1 tpmt? -53.34 104.2 0.09 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.393 0.616 . . . . 64.43 112.374 -177.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 116.5 -3.88 19.85 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.325 -0.852 . . . . 74.22 112.214 173.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 427' ' ' TRP . . . . . 0.737 ' HB2' ' HB3' ' W' ' 423' ' ' LEU . 46.7 m95 -94.65 152.64 18.33 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.635 -0.506 . . . . 63.25 109.635 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -145.33 158.81 43.75 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.566 -0.902 . . . . 73.35 108.566 -177.72 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 9.0 p -121.57 131.01 74.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 118.663 0.665 . . . . 75.4 109.986 178.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 430' ' ' ARG . . . . . 0.474 ' HD2' HD11 ' W' ' 440' ' ' ILE . 12.9 ttt-85 -113.83 -154.05 0.54 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.253 0.549 . . . . 54.23 112.115 -175.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -151.34 112.56 4.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.316 -0.856 . . . . 72.25 109.404 -170.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -85.49 153.84 58.97 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.994 -0.373 . . . . 74.2 109.994 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -57.86 -21.42 48.79 Favored 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 122.875 2.383 . . . . 64.2 112.727 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -79.42 -8.01 58.81 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.303 -0.408 . . . . 64.44 111.078 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 90.49 22.99 32.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.055 -0.593 . . . . 72.52 111.85 -178.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 436' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' W' ' 436' ' ' ARG . 10.1 mmm180 -109.86 136.86 20.34 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 120.686 0.279 . . . . 72.13 110.759 -179.124 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 437' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' W' ' 436' ' ' ARG . 37.7 Cg_endo -86.97 125.67 2.32 Favored 'Trans proline' 0 N--CA 1.448 -1.163 0 C-N-CA 122.636 2.224 . . . . 55.31 111.749 176.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -122.78 144.91 48.86 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.723 -0.473 . . . . 75.31 109.723 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -90.18 142.43 27.73 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.958 -0.565 . . . . 73.25 111.157 -177.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 440' ' ' ILE . . . . . 0.769 HD13 HD13 ' P' ' 647' ' ' LEU . 40.2 mt -119.97 118.28 56.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.48 -0.782 . . . . 75.14 109.892 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 441' ' ' ASP . . . . . 0.592 ' OD2' HG22 ' W' ' 444' ' ' THR . 12.3 t70 -95.81 120.14 35.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.379 0.609 . . . . 73.23 110.753 179.109 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -82.2 -7.19 59.62 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.25 -0.886 . . . . 73.22 111.51 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -84.28 -58.03 2.92 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.655 0.264 . . . . 72.14 111.563 -177.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 444' ' ' THR . . . . . 0.592 HG22 ' OD2' ' W' ' 441' ' ' ASP . 4.2 t -95.54 -0.67 51.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.118 0.485 . . . . 75.41 110.291 -178.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt 63.09 65.56 0.78 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.344 -0.844 . . . . 71.1 111.686 175.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 5.7 t -151.88 167.95 26.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.856 0.36 . . . . 71.23 111.159 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 447' ' ' THR . . . . . 0.556 HG22 HG12 ' W' ' 440' ' ' ILE . 20.8 p -120.25 145.59 46.9 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.336 -0.616 . . . . 61.21 109.336 177.486 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 448' ' ' THR . . . . . 0.526 ' OG1' ' HG2' ' W' ' 450' ' ' GLU . 14.5 t -141.24 156.29 45.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.236 0.541 . . . . 71.1 111.939 -178.495 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -105.56 -6.7 19.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.172 -0.922 . . . . 73.32 110.782 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 450' ' ' GLU . . . . . 0.526 ' HG2' ' OG1' ' W' ' 448' ' ' THR . 11.3 pt-20 -99.23 161.83 13.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.963 -0.562 . . . . 61.34 110.849 -176.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -89.44 123.97 65.53 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.225 -0.443 . . . . 72.41 110.787 -174.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -84.76 -8.3 9.3 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 122.701 2.267 . . . . 72.11 113.858 -178.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 453' ' ' ARG . . . . . 0.706 ' HE ' ' HA ' ' W' ' 453' ' ' ARG . 2.4 mmp_? -94.82 -24.13 17.19 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.998 -0.439 . . . . 74.14 111.947 178.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 75.7 mt -77.06 -16.39 59.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.166 0.508 . . . . 73.33 110.465 177.131 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -122.67 149.93 43.37 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.765 -0.652 . . . . 73.42 109.806 -178.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 456' ' ' ILE . . . . . 0.422 ' HA ' ' HD3' ' W' ' 457' ' ' PRO . 10.8 tt -146.44 106.99 4.1 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 121.271 0.557 . . . . 50.5 110.752 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 457' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' W' ' 456' ' ' ILE . 2.8 Cg_exo -76.47 171.58 17.79 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 123.001 2.467 . . . . 60.13 112.54 -179.27 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.594 0 CA-C-N 115.858 -0.61 . . . . 72.11 110.636 179.441 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.234 0.277 0 CA-C-O 121.392 0.615 . . . . 61.04 110.039 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' P' P ' 639' ' ' ALA . . . . . 0.474 ' HA ' ' HD3' ' P' ' 640' ' ' PRO . . . -93.9 125.89 51.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.375 -0.83 . . . . 53.22 110.526 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 640' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' P' ' 639' ' ' ALA . 11.2 Cg_exo -71.65 157.92 54.67 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.881 2.388 . . . . 70.45 112.334 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 641' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -70.16 162.41 42.37 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.347 2.032 . . . . 74.42 111.628 178.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 642' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.65 169.49 4.28 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.817 2.345 . . . . 64.24 112.933 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 643' ' ' ALA . . . . . 0.451 ' O ' HG22 ' P' ' 646' ' ' THR . . . -64.37 145.17 56.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.943 -0.572 . . . . 72.54 111.254 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -55.41 -39.38 70.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.062 -0.517 . . . . 74.42 111.35 -178.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -64.83 -26.6 68.41 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.554 0.576 . . . . 75.15 112.554 -177.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' P' P ' 646' ' ' THR . . . . . 0.451 HG22 ' O ' ' P' ' 643' ' ' ALA . 6.3 t -99.16 -2.44 36.85 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.626 -0.43 . . . . 71.41 111.288 -177.263 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 647' ' ' LEU . . . . . 0.769 HD13 HD13 ' W' ' 440' ' ' ILE . 3.6 pp -116.87 -10.41 11.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.83 0.348 . . . . 74.32 111.224 178.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 C-N-CA 121.053 -0.594 . . . . 73.41 111.803 -179.585 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.549 0 N-CA-C 112.169 -0.373 . . . . 61.03 112.169 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 47.0 t -139.98 149.99 43.92 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.243 -0.651 . . . . 70.43 109.243 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 418' ' ' MET . . . . . 0.686 ' HG2' ' HB2' ' W' ' 453' ' ' ARG . 11.4 tpt -137.94 138.41 38.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.93 0.395 . . . . 70.12 110.717 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 419' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -89.08 31.51 0.87 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 62.22 110.812 -178.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -130.22 120.18 24.07 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.826 0.346 . . . . 74.1 111.612 -175.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . -100.59 18.11 55.63 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 110.148 -1.181 . . . . 42.45 110.148 174.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 422' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -116.3 123.88 48.77 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.035 -0.583 . . . . 72.04 109.677 -178.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 423' ' ' LEU . . . . . 0.485 HD11 ' CE1' ' W' ' 439' ' ' PHE . 2.7 mm? -103.32 153.46 38.45 Favored Pre-proline 0 C--N 1.315 -0.898 0 CA-C-N 115.589 -0.732 . . . . 72.11 110.98 -177.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.2 165.69 8.51 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.632 2.222 . . . . 75.22 111.402 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -71.97 107.52 4.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.173 0.511 . . . . 73.11 110.31 -177.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 129.76 -21.16 5.06 Favored Glycine 0 N--CA 1.441 -1.025 0 N-CA-C 110.386 -1.086 . . . . 34.25 110.386 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 427' ' ' TRP . . . . . 0.408 ' HB2' ' HB3' ' W' ' 423' ' ' LEU . 53.8 m95 -102.59 128.28 49.32 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.04 -0.356 . . . . 64.52 110.04 178.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -113.66 165.6 12.37 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.4 -0.963 . . . . 73.14 108.4 177.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 11.7 p -124.88 137.57 57.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.441 0.638 . . . . 51.33 110.866 177.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 430' ' ' ARG . . . . . 0.529 ' HG2' ' H ' ' W' ' 431' ' ' HIS . 13.0 ttt180 -123.92 -153.18 0.54 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.671 -0.695 . . . . 71.34 110.415 -178.255 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 431' ' ' HIS . . . . . 0.529 ' H ' ' HG2' ' W' ' 430' ' ' ARG . 18.9 m80 -153.75 125.28 7.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.723 0.297 . . . . 74.12 110.657 -168.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -100.87 155.87 35.81 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.996 -0.547 . . . . 55.24 109.745 177.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.77 -25.34 51.13 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.984 2.456 . . . . 73.4 113.111 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -72.64 -12.27 60.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.277 -0.419 . . . . 63.45 111.118 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 97.95 1.76 58.43 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 111.407 -0.677 . . . . 71.51 111.407 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 436' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -86.56 131.19 46.43 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.484 -0.358 . . . . 73.11 110.961 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -87.8 99.14 0.44 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 122.532 2.155 . . . . 70.22 111.439 176.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -86.28 143.15 28.06 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.545 -0.539 . . . . 75.23 109.545 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 439' ' ' PHE . . . . . 0.485 ' CE1' HD11 ' W' ' 423' ' ' LEU . 44.8 m-85 -93.23 151.05 20.05 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.844 -0.616 . . . . 73.3 110.671 -177.398 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 440' ' ' ILE . . . . . 0.771 HG12 HG22 ' W' ' 447' ' ' THR . 22.4 mt -124.97 120.54 58.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.03 -0.532 . . . . 71.43 109.902 -178.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 441' ' ' ASP . . . . . 0.417 ' OD2' HG22 ' W' ' 444' ' ' THR . 9.1 t70 -90.52 120.48 31.65 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.91 0.386 . . . . 72.04 111.224 -178.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -77.75 -10.44 59.54 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.03 -0.532 . . . . 71.31 112.402 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -73.78 -57.01 4.27 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.749 -0.38 . . . . 70.4 111.242 -177.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 444' ' ' THR . . . . . 0.417 HG22 ' OD2' ' W' ' 441' ' ' ASP . 9.1 t -104.51 0.24 28.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.056 0.455 . . . . 72.5 110.451 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.72 64.49 1.03 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.581 -0.736 . . . . 62.43 111.686 178.182 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 14.8 t -141.96 165.79 26.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.195 -0.457 . . . . 73.42 110.365 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 447' ' ' THR . . . . . 0.771 HG22 HG12 ' W' ' 440' ' ' ILE . 8.8 p -113.01 143.14 44.82 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.335 -0.393 . . . . 73.22 110.485 178.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 11.6 t -136.86 157.53 46.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.028 0.442 . . . . 72.1 110.792 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 449' ' ' TRP . . . . . 0.582 ' CZ2' ' HD3' ' P' ' 641' ' ' PRO . 94.0 m95 -104.4 -7.34 19.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.101 -0.5 . . . . 74.24 110.949 -179.248 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -93.03 155.49 17.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.99 -0.55 . . . . 71.04 110.629 -175.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 451' ' ' ASP . . . . . 0.405 ' HA ' ' HD3' ' W' ' 452' ' ' PRO . 14.6 t70 -94.46 128.91 38.42 Favored Pre-proline 0 N--CA 1.464 0.26 0 CA-C-N 116.39 -0.368 . . . . 73.45 110.292 -176.293 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 452' ' ' PRO . . . . . 0.462 ' HG2' HD12 ' W' ' 423' ' ' LEU . 95.6 Cg_endo -87.37 -0.7 7.6 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.834 2.356 . . . . 73.12 114.182 -178.347 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 453' ' ' ARG . . . . . 0.686 ' HB2' ' HG2' ' W' ' 418' ' ' MET . 12.3 mmm180 -92.17 -36.61 13.19 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 121.469 -0.769 . . . . 75.41 112.547 176.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 3.1 pp -74.34 -7.75 53.91 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.134 0.492 . . . . 74.33 111.596 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -147.44 141.1 25.59 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.01 -1.108 . . . . 64.41 108.01 175.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 456' ' ' ILE . . . . . . . . . . . . . 64.6 mt -121.68 112.5 32.33 Favored Pre-proline 0 C--N 1.321 -0.651 0 C-N-CA 120.322 -0.551 . . . . 52.25 111.407 -172.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 457' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -66.08 122.15 9.62 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 123.014 2.476 . . . . 73.34 111.776 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.563 0 CA-C-N 115.81 -0.632 . . . . 30.35 110.925 179.898 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 10.8 m . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.813 0.339 . . . . 32.4 110.43 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' P' P ' 639' ' ' ALA . . . . . . . . . . . . . . . -89.19 115.62 64.15 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.07 -0.514 . . . . 71.15 110.739 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.28 134.51 45.67 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.684 2.256 . . . . 72.41 112.059 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 641' ' ' PRO . . . . . 0.582 ' HD3' ' CZ2' ' W' ' 449' ' ' TRP . 92.9 Cg_endo -85.01 152.3 11.07 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 122.722 2.282 . . . . 71.51 112.46 -178.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 642' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' P' ' 641' ' ' PRO . 6.1 Cg_exo -78.3 174.27 12.65 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 123.469 2.779 . . . . 64.24 112.275 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -72.6 155.91 39.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.878 -0.601 . . . . 63.33 111.065 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 644' ' ' TYR . . . . . 0.549 ' HA ' ' HG ' ' P' ' 647' ' ' LEU . 88.8 t80 -59.15 -36.6 75.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 72.42 111.491 -178.367 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -59.73 -20.08 54.14 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.014 0.746 . . . . 70.01 113.014 -177.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 13.0 t -113.91 -20.96 10.86 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.451 -0.5 . . . . 75.25 112.224 -178.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' P' P ' 647' ' ' LEU . . . . . 0.549 ' HG ' ' HA ' ' P' ' 644' ' ' TYR . 3.9 pp -87.42 -10.33 52.26 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 122.049 -0.407 . . . . 73.12 111.447 -179.119 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.936 -0.649 . . . . 70.31 112.594 179.412 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 111.734 -0.546 . . . . 74.12 111.734 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 19.7 m -87.97 162.23 16.97 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.56 0.219 . . . . 71.41 110.463 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 418' ' ' MET . . . . . . . . . . . . . 21.3 mmt -58.15 129.24 41.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.241 -0.436 . . . . 71.01 109.984 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 419' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.12 33.7 0.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 114.481 1.289 . . . . 75.41 114.481 -175.239 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 69.33 -52.15 0.6 Allowed 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 115.604 1.705 . . . . 54.05 115.604 175.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . -90.38 -0.49 76.42 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 115.993 1.157 . . . . 71.03 115.993 -169.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 422' ' ' PHE . . . . . 0.537 ' O ' ' HD2' ' W' ' 453' ' ' ARG . 30.3 t80 -103.09 109.86 21.57 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 118.615 1.207 . . . . 74.34 109.14 178.33 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -93.33 153.28 41.52 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.524 -0.762 . . . . 70.41 111.692 -174.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 424' ' ' PRO . . . . . 0.527 ' HB2' ' CD1' ' W' ' 427' ' ' TRP . 23.1 Cg_exo -64.07 172.27 6.41 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.959 2.439 . . . . 54.53 111.826 176.671 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -70.6 109.61 4.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.063 0.459 . . . . 72.13 111.16 -175.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 112.07 -20.56 21.53 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.677 -0.773 . . . . 72.2 112.787 178.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 427' ' ' TRP . . . . . 0.647 ' HZ3' HG21 ' W' ' 448' ' ' THR . 50.2 m95 -85.92 115.62 23.65 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.157 0.504 . . . . 64.44 111.002 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -107.56 169.41 8.61 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.98 0.419 . . . . 75.14 111.047 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 89.6 t -127.14 129.59 71.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.86 -0.609 . . . . 64.4 110.278 -176.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 430' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -110.4 -158.19 0.64 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.187 -0.301 . . . . 72.35 110.187 178.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -155.02 110.72 3.12 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 121.228 -0.189 . . . . 74.21 110.736 -171.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -81.99 154.53 70.12 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 109.325 -0.62 . . . . 74.21 109.325 176.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -51.95 -31.82 45.13 Favored 'Trans proline' 0 N--CA 1.475 0.425 0 C-N-CA 123.19 2.593 . . . . 65.04 113.434 -178.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -77.01 -7.46 55.68 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.493 -0.322 . . . . 72.43 111.525 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 94.2 18.19 37.45 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.776 -0.726 . . . . 75.01 111.799 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 436' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -94.14 114.41 63.18 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.001 0.429 . . . . 64.44 110.477 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -83.96 106.13 1.2 Allowed 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 122.795 2.33 . . . . 74.14 112.575 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -94.9 157.83 15.74 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 120.076 -0.65 . . . . 73.44 109.515 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -95.44 143.35 26.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.374 0.607 . . . . 74.11 111.518 -175.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 440' ' ' ILE . . . . . . . . . . . . . 58.2 mt -112.81 134.46 55.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.074 -0.966 . . . . 65.21 108.734 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 441' ' ' ASP . . . . . 0.421 ' OD2' HG22 ' W' ' 444' ' ' THR . 24.2 t70 -108.32 116.06 31.26 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.247 0.546 . . . . 61.2 111.901 -176.487 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 442' ' ' HIS . . . . . 0.416 ' O ' ' HE3' ' W' ' 445' ' ' LYS . 65.1 m80 -79.6 1.28 26.67 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.514 -0.767 . . . . 72.11 111.919 178.072 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -91.33 -58.55 2.41 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 121.945 -0.472 . . . . 53.52 111.917 -175.066 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 444' ' ' THR . . . . . 0.421 HG22 ' OD2' ' W' ' 441' ' ' ASP . 8.9 t -104.07 3.59 33.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.915 0.388 . . . . 72.12 110.523 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 445' ' ' LYS . . . . . 0.416 ' HE3' ' O ' ' W' ' 442' ' ' HIS . 16.5 mmtp 65.41 65.27 0.57 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.663 -0.699 . . . . 74.52 111.596 176.093 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 13.2 t -152.62 -177.69 6.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.08 -0.509 . . . . 72.41 110.418 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 447' ' ' THR . . . . . . . . . . . . . 17.1 p -119.81 150.09 41.0 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.171 -0.677 . . . . 75.03 109.171 176.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 448' ' ' THR . . . . . 0.647 HG21 ' HZ3' ' W' ' 427' ' ' TRP . 5.3 t -146.95 155.66 42.45 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.033 -0.667 . . . . 72.22 111.663 -177.432 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -106.12 -15.59 14.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.739 -0.664 . . . . 72.32 111.152 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 450' ' ' GLU . . . . . 0.519 ' HG2' ' OG1' ' W' ' 448' ' ' THR . 11.3 pt-20 -75.24 130.52 39.25 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.3 0.571 . . . . 73.21 111.345 -178.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 451' ' ' ASP . . . . . 0.417 ' HA ' ' HD3' ' W' ' 452' ' ' PRO . 3.9 t70 -84.51 124.03 73.91 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.48 -0.782 . . . . 74.24 111.233 179.336 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 452' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' W' ' 451' ' ' ASP . 79.4 Cg_endo -95.24 24.26 0.36 Allowed 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 123.635 2.89 . . . . 70.11 112.186 177.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 453' ' ' ARG . . . . . 0.769 ' HA ' ' NE ' ' W' ' 453' ' ' ARG . 3.2 mmp_? -100.48 -50.6 3.86 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.796 -0.638 . . . . 70.43 111.475 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 92.9 mt -76.43 1.67 15.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.821 -0.627 . . . . 72.23 111.373 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.71 161.8 41.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.193 -0.458 . . . . 74.14 110.681 -179.34 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 456' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' W' ' 457' ' ' PRO . 20.0 pt -126.61 123.3 23.9 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.29 -0.414 . . . . 73.25 110.055 178.204 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 457' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' W' ' 456' ' ' ILE . 16.9 Cg_exo -67.21 125.92 14.25 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.84 2.36 . . . . 72.12 112.322 -178.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.246 0 CA-C-N 116.095 -0.502 . . . . 54.13 111.74 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 25.3 p . . . . . 0 C--O 1.235 0.295 0 CA-C-O 120.933 0.397 . . . . 61.52 111.127 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' P' P ' 639' ' ' ALA . . . . . 0.401 ' HA ' ' HD2' ' P' ' 640' ' ' PRO . . . -124.34 112.95 27.82 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.203 -0.453 . . . . 42.53 110.561 179.511 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 640' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' P' ' 639' ' ' ALA . 32.2 Cg_endo -67.13 134.19 33.19 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.123 1.882 . . . . 55.05 111.189 177.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 641' ' ' PRO . . . . . 0.529 ' HA ' ' HD3' ' P' ' 642' ' ' PRO . 93.3 Cg_endo -80.62 124.98 5.38 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.497 2.131 . . . . 45.3 112.806 -177.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 642' ' ' PRO . . . . . 0.593 ' HD2' HD21 ' P' ' 647' ' ' LEU . 13.4 Cg_exo -70.76 173.6 11.63 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.519 2.813 . . . . 72.02 111.978 178.267 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 643' ' ' ALA . . . . . 0.568 ' O ' ' HG ' ' P' ' 647' ' ' LEU . . . -72.2 156.92 38.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.045 0.45 . . . . 65.25 111.495 -178.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -57.01 -29.09 63.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.628 -0.715 . . . . 75.34 111.945 -177.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -62.74 -30.47 71.45 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.464 0.542 . . . . 73.12 112.464 -177.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 11.7 t -109.34 3.84 21.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.279 0.562 . . . . 61.52 110.842 -178.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' P' P ' 647' ' ' LEU . . . . . 0.593 HD21 ' HD2' ' P' ' 642' ' ' PRO . 43.8 mt -88.93 -20.06 25.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.281 -0.418 . . . . 74.11 111.078 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.609 -0.805 . . . . 25.44 112.117 179.817 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.929 0 N-CA-C 111.843 -0.503 . . . . 50.11 111.843 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 16.3 m -84.19 21.22 1.43 Allowed 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.823 0.305 . . . . 51.32 111.823 -177.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 418' ' ' MET . . . . . 0.672 ' HG2' ' OD2' ' W' ' 451' ' ' ASP . 2.1 mpp? -132.08 -79.03 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.947 0.403 . . . . 64.03 109.923 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 419' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -154.79 159.65 40.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.102 -0.954 . . . . 51.43 108.545 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -106.85 84.07 1.93 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.229 0.537 . . . . 75.12 109.89 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . 106.2 -40.57 2.45 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.73 -0.747 . . . . 24.41 112.458 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 422' ' ' PHE . . . . . 0.46 ' O ' HD22 ' W' ' 423' ' ' LEU . 20.5 t80 -67.34 107.28 2.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.283 0.564 . . . . 61.23 110.723 179.531 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 423' ' ' LEU . . . . . 0.46 HD22 ' O ' ' W' ' 422' ' ' PHE . 4.2 mm? -132.32 165.36 36.75 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 108.579 -0.897 . . . . 72.22 108.579 -178.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -53.83 125.09 17.53 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 121.451 1.434 . . . . 74.12 109.678 173.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.19 96.91 0.08 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.951 0.881 . . . . 74.15 112.274 -174.009 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 154.83 -20.48 0.59 Allowed Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 108.231 -1.948 . . . . 74.1 108.231 172.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 427' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -89.36 171.71 9.56 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 114.199 -1.0 . . . . 73.22 109.26 173.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 428' ' ' GLU . . . . . 0.54 ' HB2' ' NE2' ' W' ' 442' ' ' HIS . 9.2 tp10 -146.88 146.91 30.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.158 0.504 . . . . 73.42 111.886 -176.471 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 62.4 t -97.93 125.82 51.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.222 -0.899 . . . . 73.33 109.811 175.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 430' ' ' ARG . . . . . 0.441 ' O ' ' HA ' ' W' ' 437' ' ' PRO . 7.8 tpt180 -133.26 147.03 51.92 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.234 -0.587 . . . . 75.2 110.943 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 18.6 m170 -91.74 138.81 31.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.069 0.462 . . . . 63.25 111.886 -178.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -101.54 163.75 17.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.338 -0.846 . . . . 55.35 109.48 176.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.85 -6.05 3.13 Favored 'Trans proline' 0 CA--C 1.534 0.504 0 C-N-CA 123.093 2.529 . . . . 55.22 113.642 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -107.87 15.45 24.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.966 0.412 . . . . 61.13 110.544 -178.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 70.59 9.87 65.96 Favored Glycine 0 C--O 1.229 -0.184 0 C-N-CA 121.119 -0.562 . . . . 63.43 112.575 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 436' ' ' ARG . . . . . 0.431 ' HA ' ' HD3' ' W' ' 437' ' ' PRO . 19.5 tpp180 -93.53 118.3 67.51 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 110.248 -0.278 . . . . 75.13 110.248 -179.309 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 437' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' W' ' 430' ' ' ARG . 5.8 Cg_exo -78.9 111.44 2.96 Favored 'Trans proline' 0 N--CA 1.453 -0.906 0 C-N-CA 122.841 2.361 . . . . 62.35 111.471 176.344 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -99.85 165.71 11.43 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.844 -0.428 . . . . 73.2 109.844 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 439' ' ' PHE . . . . . 0.44 ' CE2' ' HB2' ' W' ' 451' ' ' ASP . 80.6 m-85 -108.32 142.92 37.92 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.977 -0.556 . . . . 72.34 111.28 -175.424 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 440' ' ' ILE . . . . . 0.785 HG12 HG22 ' W' ' 447' ' ' THR . 21.9 mt -127.34 153.97 37.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.299 -0.864 . . . . 63.41 109.821 -178.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 441' ' ' ASP . . . . . 0.496 ' OD2' HG22 ' W' ' 444' ' ' THR . 6.2 t70 -112.11 131.79 55.23 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 107.781 -1.192 . . . . 73.44 107.781 173.544 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 442' ' ' HIS . . . . . 0.54 ' NE2' ' HB2' ' W' ' 428' ' ' GLU . 26.8 m170 -79.53 -25.04 41.8 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 119.785 1.175 . . . . 74.44 110.713 -176.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -60.65 -56.9 15.81 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.953 -0.567 . . . . 62.01 112.004 -174.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 444' ' ' THR . . . . . 0.656 HG23 ' HB ' ' W' ' 446' ' ' THR . 13.3 t -107.45 7.84 29.17 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.399 -0.364 . . . . 72.0 111.301 -176.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 60.36 30.69 20.02 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.254 0.55 . . . . 72.21 110.675 179.328 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 446' ' ' THR . . . . . 0.656 ' HB ' HG23 ' W' ' 444' ' ' THR . 1.0 OUTLIER -92.75 141.66 28.21 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.304 -0.862 . . . . 62.2 111.773 -176.963 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' W' W ' 447' ' ' THR . . . . . 0.785 HG22 HG12 ' W' ' 440' ' ' ILE . 16.4 p -111.33 145.4 38.91 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.803 -0.635 . . . . 61.3 109.948 177.71 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 448' ' ' THR . . . . . 0.452 ' OG1' ' HG2' ' W' ' 450' ' ' GLU . 13.2 t -144.41 163.57 33.38 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.972 0.415 . . . . 63.12 111.131 -178.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -105.41 -5.9 19.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.056 -0.52 . . . . 74.31 111.266 -178.478 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 450' ' ' GLU . . . . . 0.452 ' HG2' ' OG1' ' W' ' 448' ' ' THR . 7.3 pt-20 -101.04 160.65 14.2 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.429 -0.582 . . . . 71.41 109.429 -179.45 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 451' ' ' ASP . . . . . 0.672 ' OD2' ' HG2' ' W' ' 418' ' ' MET . 1.8 t70 -114.52 131.37 23.38 Favored Pre-proline 0 C--N 1.323 -0.57 0 C-N-CA 121.327 -0.149 . . . . 75.52 111.317 -173.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.51 -4.26 15.03 Favored 'Trans proline' 0 CA--C 1.537 0.675 0 C-N-CA 123.106 2.537 . . . . 74.04 114.036 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 453' ' ' ARG . . . . . 0.52 ' HE ' ' HA ' ' W' ' 453' ' ' ARG . 1.0 OUTLIER -81.7 -50.61 9.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.026 0.441 . . . . 75.3 110.791 175.072 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' W' W ' 454' ' ' LEU . . . . . 0.453 ' HG ' ' OD2' ' W' ' 451' ' ' ASP . 3.9 pp -80.94 -2.5 47.96 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.567 0.581 . . . . 73.25 112.567 -177.204 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 455' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' W' ' 451' ' ' ASP . 18.1 ptpt -149.86 168.47 23.67 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.537 -0.542 . . . . 72.33 109.537 179.468 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 456' ' ' ILE . . . . . . . . . . . . . 5.4 pt -129.07 123.63 21.88 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-O 120.708 0.29 . . . . 43.51 110.391 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 457' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.42 152.17 27.33 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 123.465 2.777 . . . . 62.34 113.358 -178.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 115.443 -0.799 . . . . 42.23 110.42 -178.35 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 2.3 p . . . . . 0 C--O 1.235 0.296 0 CA-C-O 121.253 0.549 . . . . 74.54 111.209 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' P' P ' 639' ' ' ALA . . . . . 0.451 ' HA ' ' HD3' ' P' ' 640' ' ' PRO . . . -110.97 110.69 56.74 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.698 -0.683 . . . . 74.25 109.785 177.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 640' ' ' PRO . . . . . 0.477 ' HA ' ' HD3' ' P' ' 641' ' ' PRO . 2.4 Cg_endo -85.62 131.17 3.91 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 122.302 2.001 . . . . 74.31 112.27 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 641' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' P' ' 640' ' ' PRO . 34.2 Cg_endo -92.94 141.52 1.98 Allowed 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 123.133 2.556 . . . . 70.15 111.482 176.131 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 642' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.1 136.38 72.9 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.562 2.175 . . . . 74.32 112.236 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -65.93 147.53 53.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.17 -0.468 . . . . 61.25 110.418 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 644' ' ' TYR . . . . . 0.495 ' HA ' ' HB2' ' P' ' 647' ' ' LEU . 27.6 t80 -62.84 -14.8 50.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.101 0.476 . . . . 60.45 110.812 -178.017 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -61.14 -37.81 84.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.859 -0.61 . . . . 43.5 110.82 177.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 14.2 t -96.63 -11.45 25.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.143 0.497 . . . . 71.21 110.439 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' P' P ' 647' ' ' LEU . . . . . 0.495 ' HB2' ' HA ' ' P' ' 644' ' ' TYR . 93.6 mt -84.72 -43.08 14.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.069 -0.514 . . . . 54.33 110.757 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 C-N-CA 120.94 -0.648 . . . . 71.2 112.037 -179.913 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.48 0.181 . . . . 72.5 110.905 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -68.43 172.01 12.0 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.901 2.401 . . . . 53.51 111.876 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -57.75 135.87 56.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.109 -0.496 . . . . 74.02 110.748 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 77.64 -5.33 52.7 Favored Glycine 0 CA--C 1.52 0.391 0 CA-C-N 115.84 -0.618 . . . . 50.31 113.893 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 427' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -102.88 124.83 49.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 117.529 0.665 . . . . 74.1 111.47 -178.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 428' ' ' GLU . . . . . 0.408 ' HB3' ' HB ' ' W' ' 440' ' ' ILE . 6.6 tp10 -114.45 165.41 12.77 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.045 -0.724 . . . . 71.35 109.045 177.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 14.2 p -135.66 135.98 50.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.484 -0.562 . . . . 62.32 109.484 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 430' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -138.12 170.05 16.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.426 -0.352 . . . . 71.23 110.142 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -106.85 133.8 50.96 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.781 0.324 . . . . 74.53 110.358 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -85.73 155.68 58.79 Favored Pre-proline 0 C--N 1.319 -0.76 0 N-CA-C 108.95 -0.759 . . . . 52.41 108.95 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.14 -23.58 45.44 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.552 2.168 . . . . 72.51 112.182 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -74.88 -14.47 60.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 73.43 111.262 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 106.95 -19.54 35.14 Favored Glycine 0 CA--C 1.518 0.226 0 C-N-CA 120.732 -0.747 . . . . 53.0 112.804 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 436' ' ' ARG . . . . . 0.44 ' HA ' ' HD3' ' W' ' 436' ' ' ARG . 15.9 mmt180 -81.0 140.25 49.87 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-O 120.859 0.361 . . . . 72.21 111.269 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -83.16 140.16 9.75 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.798 2.332 . . . . 73.41 112.103 177.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -131.11 149.72 52.47 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.007 0.432 . . . . 74.34 109.987 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -96.9 141.66 29.82 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.583 -0.735 . . . . 72.32 110.58 -177.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 440' ' ' ILE . . . . . 0.459 HD13 HD21 ' P' ' 647' ' ' LEU . 13.8 mt -121.54 114.22 42.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.251 -0.886 . . . . 74.32 110.465 -176.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 441' ' ' ASP . . . . . 0.581 ' OD2' HG22 ' W' ' 444' ' ' THR . 18.8 t70 -89.0 109.67 20.47 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.066 0.46 . . . . 71.41 110.884 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 442' ' ' HIS . . . . . 0.4 ' HE2' ' HB2' ' W' ' 428' ' ' GLU . 39.6 m-70 -61.8 -24.57 66.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.641 -0.709 . . . . 64.45 112.141 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -66.58 -56.88 8.7 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.436 0.532 . . . . 43.42 112.436 -174.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 444' ' ' THR . . . . . 0.581 HG22 ' OD2' ' W' ' 441' ' ' ASP . 14.8 t -111.19 11.29 21.83 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.23 0.456 . . . . 75.24 112.23 -177.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp 64.0 29.13 14.39 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.141 -0.482 . . . . 41.14 112.009 175.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 4.1 t -104.7 151.23 23.96 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.258 0.551 . . . . 63.52 111.195 -178.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 447' ' ' THR . . . . . . . . . . . . . 2.7 p -116.03 146.86 41.81 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.702 -0.681 . . . . 72.22 110.083 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 8.9 t -145.37 150.96 37.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.002 0.43 . . . . 71.33 111.606 -179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -97.05 -9.44 28.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.321 0.581 . . . . 72.34 109.532 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -85.7 151.65 23.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.18 -0.918 . . . . 72.35 110.111 -176.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 451' ' ' ASP . . . . . 0.414 ' HB3' ' CD2' ' W' ' 454' ' ' LEU . 12.9 t70 -94.87 123.53 57.4 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 109.977 -0.379 . . . . 72.1 109.977 -176.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -81.68 -4.87 12.32 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.782 2.321 . . . . 73.2 113.957 -177.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 453' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -93.75 -32.48 13.99 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.942 -0.303 . . . . 72.31 111.701 -179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 454' ' ' LEU . . . . . 0.916 HD12 ' HG3' ' W' ' 455' ' ' LYS . 3.7 pp -78.11 -8.5 58.33 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.268 0.556 . . . . 75.35 110.724 178.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 455' ' ' LYS . . . . . 0.916 ' HG3' HD12 ' W' ' 454' ' ' LEU . 61.1 mtpt . . . . . 0 C--N 1.324 -0.503 0 N-CA-C 107.673 -1.232 . . . . 72.21 107.673 174.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo . . . . . 0 N--CA 1.462 -0.369 0 CA-C-O 120.625 0.177 . . . . 61.53 111.705 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' P' P ' 641' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -81.2 150.34 17.59 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.077 1.851 . . . . 72.44 111.999 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 642' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.97 140.26 91.9 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.677 2.251 . . . . 74.24 112.104 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -68.52 163.89 22.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.133 0.492 . . . . 65.43 111.078 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -61.22 -39.75 91.42 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.6 -0.727 . . . . 54.31 111.082 -177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -76.01 -20.34 57.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.542 0.687 . . . . 72.23 110.221 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 95.0 m -78.16 -36.98 46.91 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.2 -0.909 . . . . 70.23 110.869 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' P' P ' 647' ' ' LEU . . . . . 0.459 HD21 HD13 ' W' ' 440' ' ' ILE . 4.2 pp -90.69 -6.27 54.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.889 -0.596 . . . . 71.22 111.475 -177.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.773 -0.727 . . . . 65.14 112.129 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 C--O 1.232 0.155 0 N-CA-C 110.158 -0.312 . . . . 71.13 110.158 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.52 164.2 24.42 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.637 2.225 . . . . 72.2 111.772 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 425' ' ' LYS . . . . . 0.426 ' C ' ' HD3' ' W' ' 425' ' ' LYS . 0.6 OUTLIER -50.59 125.91 14.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.402 0.62 . . . . 75.2 111.725 179.419 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 77.82 4.84 86.05 Favored Glycine 0 C--O 1.223 -0.556 0 CA-C-N 115.208 -0.906 . . . . 70.25 114.267 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 427' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -102.92 122.6 44.91 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 118.136 0.968 . . . . 71.34 110.596 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 428' ' ' GLU . . . . . 0.444 ' HB2' ' CD2' ' W' ' 442' ' ' HIS . 6.5 tp10 -114.01 165.81 12.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.631 -0.713 . . . . 74.34 109.181 -179.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 5.9 p -135.85 132.12 50.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 N-CA-C 109.315 -0.624 . . . . 71.13 109.315 176.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 430' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' W' ' 437' ' ' PRO . 6.7 mtt180 -124.17 161.42 25.74 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.479 -0.328 . . . . 71.32 110.186 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -98.94 118.81 36.56 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 110.195 -0.298 . . . . 73.1 110.195 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 432' ' ' ALA . . . . . 0.464 ' HB2' ' HD2' ' W' ' 438' ' ' PHE . . . -75.72 154.88 85.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 116.346 -0.388 . . . . 44.21 110.394 -179.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -57.91 -20.59 45.16 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.642 2.228 . . . . 65.12 111.97 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 -69.54 -15.93 63.33 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.113 -0.494 . . . . 73.12 110.663 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 96.59 18.05 31.58 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.81 -0.71 . . . . 53.54 112.355 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 436' ' ' ARG . . . . . 0.555 ' HG2' ' HD2' ' W' ' 437' ' ' PRO . 1.9 tmm_? -135.47 137.26 25.75 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 109.455 -0.572 . . . . 73.01 109.455 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 437' ' ' PRO . . . . . 0.555 ' HD2' ' HG2' ' W' ' 436' ' ' ARG . 55.2 Cg_endo -71.64 149.63 55.43 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.701 2.267 . . . . 64.01 114.114 -178.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 438' ' ' PHE . . . . . 0.464 ' HD2' ' HB2' ' W' ' 432' ' ' ALA . 52.1 p90 -134.78 157.49 46.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.939 -1.028 . . . . 73.13 108.408 174.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -100.2 141.91 32.4 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.411 0.624 . . . . 75.43 111.937 -175.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 440' ' ' ILE . . . . . 0.761 HG12 HG22 ' W' ' 447' ' ' THR . 35.9 mt -122.45 115.59 46.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.148 -0.933 . . . . 71.44 109.927 -178.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 441' ' ' ASP . . . . . 0.582 ' OD2' HG22 ' W' ' 444' ' ' THR . 17.7 t70 -85.84 109.02 18.4 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.994 0.426 . . . . 64.44 111.148 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 442' ' ' HIS . . . . . 0.444 ' CD2' ' HB2' ' W' ' 428' ' ' GLU . 60.7 m-70 -60.57 -23.91 65.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.987 -0.551 . . . . 72.44 111.792 177.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 443' ' ' ASN . . . . . 0.449 ' HB2' ' OD2' ' W' ' 441' ' ' ASP . 61.5 m-80 -62.2 -57.07 12.84 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.619 0.229 . . . . 62.33 111.619 -177.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 444' ' ' THR . . . . . 0.582 HG22 ' OD2' ' W' ' 441' ' ' ASP . 12.2 t -109.43 5.57 23.51 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.014 0.375 . . . . 72.11 112.014 -178.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 13.8 mptt 65.73 31.26 9.79 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 112.08 0.4 . . . . 65.42 112.08 177.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 4.5 t -104.41 161.84 13.74 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.301 -0.409 . . . . 53.25 110.906 -178.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 447' ' ' THR . . . . . 0.761 HG22 HG12 ' W' ' 440' ' ' ILE . 10.4 p -122.11 141.92 50.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.938 -0.574 . . . . 74.44 109.992 178.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 13.2 t -147.34 163.48 36.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.009 0.433 . . . . 71.41 111.118 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 449' ' ' TRP . . . . . 0.439 ' HZ2' ' HD3' ' P' ' 641' ' ' PRO . 86.1 m95 -104.36 -8.49 19.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.837 -0.62 . . . . 63.41 110.422 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -78.11 146.19 35.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.047 -0.524 . . . . 62.2 110.439 -178.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 451' ' ' ASP . . . . . 0.478 ' OD2' ' HG ' ' W' ' 454' ' ' LEU . 19.1 t70 -89.06 124.33 65.26 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.363 -0.38 . . . . 61.23 110.368 -178.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -86.94 -0.31 7.85 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.86 2.373 . . . . 73.04 113.553 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 453' ' ' ARG . . . . . . . . . . . . . 46.4 mtp85 -87.75 -46.51 9.41 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.188 0.44 . . . . 70.43 112.188 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 454' ' ' LEU . . . . . 0.478 ' HG ' ' OD2' ' W' ' 451' ' ' ASP . 3.7 pp -80.46 -10.3 59.75 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.812 -0.355 . . . . 72.45 111.744 -177.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.323 -0.552 0 N-CA-C 109.774 -0.454 . . . . 73.42 109.774 178.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 13.4 Cg_exo . . . . . 0 C--O 1.234 0.279 0 CA-C-O 120.533 0.139 . . . . 65.42 112.328 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' P' P ' 641' ' ' PRO . . . . . 0.465 ' HA ' ' HD3' ' P' ' 642' ' ' PRO . 92.9 Cg_endo -82.07 138.74 10.35 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.547 2.165 . . . . 74.24 112.084 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 642' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' P' ' 641' ' ' PRO . 6.0 Cg_exo -78.14 173.64 13.62 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 123.184 2.59 . . . . 72.33 112.098 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -70.35 159.28 34.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.381 -0.372 . . . . 63.43 110.113 177.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -59.22 -44.14 92.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.84 0.352 . . . . 72.14 111.701 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -72.93 -15.47 61.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.36 0.6 . . . . 71.13 110.529 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 90.4 m -87.56 -40.17 14.49 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.086 -0.961 . . . . 72.54 110.763 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 647' ' ' LEU . . . . . . . . . . . . . 4.2 pp -84.61 -16.44 42.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.905 -0.589 . . . . 74.43 111.476 -177.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.444 0 C-N-CA 120.675 -0.774 . . . . 53.5 112.067 179.732 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.1 mm? . . . . . 0 C--O 1.234 0.24 0 N-CA-C 109.124 -0.695 . . . . 64.02 109.124 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' W' W ' 424' ' ' PRO . . . . . 0.569 ' HB2' ' CD1' ' W' ' 427' ' ' TRP . 50.4 Cg_exo -53.39 145.03 47.59 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.128 1.886 . . . . 75.42 111.056 177.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -58.35 107.41 0.49 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.336 0.588 . . . . 45.41 111.49 -175.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 121.51 -6.24 10.67 Favored Glycine 0 N--CA 1.446 -0.659 0 CA-C-N 115.223 -0.899 . . . . 72.42 111.864 177.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 427' ' ' TRP . . . . . 0.569 ' CD1' ' HB2' ' W' ' 424' ' ' PRO . 32.7 m95 -100.21 124.98 46.29 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.905 -0.406 . . . . 75.43 109.905 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -127.78 156.62 42.18 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.835 -0.432 . . . . 62.24 109.835 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 43.0 t -103.55 135.53 40.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.918 0.39 . . . . 74.3 111.046 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 430' ' ' ARG . . . . . 0.547 ' HD2' HD11 ' W' ' 440' ' ' ILE . 0.2 OUTLIER -118.44 -153.77 0.54 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 75.15 110.566 179.692 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' W' W ' 431' ' ' HIS . . . . . 0.437 ' H ' ' HG2' ' W' ' 430' ' ' ARG . 12.6 m80 -151.32 111.23 4.07 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.948 -0.39 . . . . 72.53 109.948 -170.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 432' ' ' ALA . . . . . 0.444 ' HB2' ' HD1' ' W' ' 438' ' ' PHE . . . -90.21 149.9 42.21 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.676 -0.238 . . . . 74.2 110.43 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -51.92 -31.84 44.95 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.328 2.685 . . . . 75.44 112.921 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -64.95 -14.3 59.67 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.636 0.255 . . . . 74.42 111.611 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 94.84 23.75 19.68 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.505 -0.855 . . . . 75.04 111.461 -178.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 436' ' ' ARG . . . . . 0.427 ' HA ' ' HD3' ' W' ' 437' ' ' PRO . 15.3 mmm180 -119.47 123.14 28.85 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.483 -0.359 . . . . 72.15 110.869 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 437' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' W' ' 436' ' ' ARG . 11.7 Cg_exo -73.26 107.86 2.48 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 123.107 2.538 . . . . 52.33 111.919 177.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 438' ' ' PHE . . . . . 0.444 ' HD1' ' HB2' ' W' ' 432' ' ' ALA . 53.9 p90 -95.5 155.11 16.88 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.879 -0.415 . . . . 61.23 109.879 177.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -95.24 138.32 33.1 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.256 0.55 . . . . 71.24 110.986 -176.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 440' ' ' ILE . . . . . 0.547 HD11 ' HD2' ' W' ' 430' ' ' ARG . 34.7 mt -110.09 116.08 51.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.534 -0.757 . . . . 75.32 109.831 179.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 441' ' ' ASP . . . . . 0.543 ' OD2' HG22 ' W' ' 444' ' ' THR . 25.1 t70 -90.71 110.7 21.87 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.108 -0.701 . . . . 74.22 109.108 175.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -78.57 -8.31 58.47 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.468 -0.787 . . . . 75.13 110.659 -177.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -75.45 -57.74 3.7 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.046 0.387 . . . . 64.34 112.046 -177.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 444' ' ' THR . . . . . 0.543 HG22 ' OD2' ' W' ' 441' ' ' ASP . 13.8 t -101.97 1.89 37.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.806 0.336 . . . . 74.21 110.737 -179.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 445' ' ' LYS . . . . . 0.404 ' HD2' ' CE1' ' P' ' 644' ' ' TYR . 72.8 mmtt 66.1 65.88 0.5 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.816 -0.629 . . . . 71.05 110.993 177.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 7.6 t -148.81 163.31 37.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.042 -0.527 . . . . 74.43 110.701 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 447' ' ' THR . . . . . . . . . . . . . 11.3 p -118.86 143.79 46.75 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.979 -0.378 . . . . 74.3 109.979 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 448' ' ' THR . . . . . 0.447 ' OG1' ' HG2' ' W' ' 450' ' ' GLU . 15.1 t -141.02 160.97 38.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.785 0.326 . . . . 72.41 111.251 -178.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 449' ' ' TRP . . . . . 0.563 ' HZ2' ' HD3' ' P' ' 641' ' ' PRO . 94.8 m95 -105.68 -7.92 18.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.263 -0.426 . . . . 64.22 111.46 -179.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 450' ' ' GLU . . . . . 0.447 ' HG2' ' OG1' ' W' ' 448' ' ' THR . 13.5 pt-20 -89.35 158.08 17.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.758 0.314 . . . . 74.22 111.218 -175.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -98.71 129.81 29.22 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 72.11 109.892 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -90.31 -18.02 1.4 Allowed 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 122.751 2.3 . . . . 64.25 114.668 -178.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 453' ' ' ARG . . . . . 0.854 ' HE ' ' HA ' ' W' ' 453' ' ' ARG . 2.3 mmp_? -93.56 -18.83 21.8 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 121.373 -0.83 . . . . 74.41 112.512 -177.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 86.2 mt -79.37 7.4 7.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.555 0.693 . . . . 73.33 109.585 174.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt . . . . . 0 C--N 1.325 -0.49 0 CA-C-N 114.873 -1.058 . . . . 75.43 108.776 -178.707 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo . . . . . 0 C--O 1.234 0.323 0 CA-C-O 120.725 0.219 . . . . 52.25 112.362 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' P' P ' 641' ' ' PRO . . . . . 0.563 ' HD3' ' HZ2' ' W' ' 449' ' ' TRP . 60.3 Cg_endo -72.12 154.12 57.22 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 122.655 2.236 . . . . 73.14 112.054 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 642' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.12 162.62 41.21 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.628 2.218 . . . . 65.03 111.976 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -78.22 157.17 29.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.349 -0.387 . . . . 74.41 110.563 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 644' ' ' TYR . . . . . 0.404 ' CE1' ' HD2' ' W' ' 445' ' ' LYS . 29.1 t80 -52.35 -37.07 55.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.524 -0.762 . . . . 70.52 111.905 -177.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -64.01 -49.93 70.49 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.453 0.538 . . . . 64.42 112.453 -176.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 14.4 t -74.54 -22.99 58.74 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.513 0.56 . . . . 65.43 112.513 -176.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 647' ' ' LEU . . . . . . . . . . . . . 4.6 pp -91.06 -26.19 19.28 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.557 -0.457 . . . . 54.33 111.413 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.407 0 C-N-CA 120.552 -0.832 . . . . 65.51 112.687 179.287 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' W' W ' 423' ' ' LEU . . . . . 0.411 HD13 ' HD2' ' W' ' 453' ' ' ARG . 2.8 mm? . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 120.649 0.261 . . . . 73.44 110.991 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -63.15 168.04 11.52 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.498 2.132 . . . . 65.14 110.251 176.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 425' ' ' LYS . . . . . 0.43 ' HA ' ' HD2' ' W' ' 425' ' ' LYS . 20.5 tptm -75.19 107.26 7.17 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.907 -0.717 . . . . 73.21 109.727 -177.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 133.97 -25.02 3.57 Favored Glycine 0 N--CA 1.437 -1.235 0 N-CA-C 110.158 -1.177 . . . . 41.44 110.158 -178.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 427' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -100.8 152.14 20.85 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.115 -0.328 . . . . 64.25 110.115 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -145.69 159.13 43.6 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.223 -1.029 . . . . 75.54 108.223 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 11.5 p -108.87 138.06 37.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 118.441 0.564 . . . . 65.34 110.109 178.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 430' ' ' ARG . . . . . 0.4 ' HD2' ' HA ' ' W' ' 430' ' ' ARG . 0.1 OUTLIER -123.52 -157.57 0.76 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.817 -0.628 . . . . 61.12 111.091 -177.027 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -152.0 113.89 4.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.751 0.31 . . . . 72.14 110.617 -171.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -85.6 154.33 58.98 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.23 -0.441 . . . . 72.3 110.051 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.26 -24.8 43.77 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.145 2.563 . . . . 73.31 113.248 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -75.31 -5.69 46.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.547 -0.297 . . . . 74.42 111.503 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 88.22 22.96 39.19 Favored Glycine 0 C--N 1.33 0.241 0 N-CA-C 111.259 -0.736 . . . . 54.25 111.259 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 436' ' ' ARG . . . . . 0.419 ' HB3' ' HZ3' ' W' ' 449' ' ' TRP . 10.8 mmm180 -112.52 125.85 29.32 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.266 -0.467 . . . . 74.05 110.671 -177.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -81.16 122.59 4.24 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.679 2.253 . . . . 71.53 112.429 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -118.13 146.79 43.91 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.634 -0.506 . . . . 75.14 109.634 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -92.6 137.91 31.96 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.221 -0.445 . . . . 73.54 110.746 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 440' ' ' ILE . . . . . 0.63 HG12 HG22 ' W' ' 447' ' ' THR . 49.2 mt -116.66 138.45 47.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.794 -0.639 . . . . 61.3 110.257 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 441' ' ' ASP . . . . . 0.51 ' HB3' HG22 ' W' ' 446' ' ' THR . 13.3 t70 -103.9 123.46 47.17 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.946 -0.57 . . . . 75.24 110.52 177.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -74.67 -17.34 60.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.168 -0.469 . . . . 71.43 111.89 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -76.89 -58.56 3.21 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.295 0.48 . . . . 75.21 112.295 -174.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 444' ' ' THR . . . . . 0.482 HG22 ' OD2' ' W' ' 441' ' ' ASP . 14.5 t -106.38 -1.05 23.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.82 0.343 . . . . 71.23 110.827 -178.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm 63.42 54.96 1.87 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.819 -0.628 . . . . 74.34 111.3 177.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 446' ' ' THR . . . . . 0.51 HG22 ' HB3' ' W' ' 441' ' ' ASP . 13.7 t -116.92 160.69 20.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.603 -0.726 . . . . 74.3 109.581 178.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 447' ' ' THR . . . . . 0.63 HG22 HG12 ' W' ' 440' ' ' ILE . 46.7 p -124.96 144.41 50.38 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.802 -0.444 . . . . 55.42 109.802 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 448' ' ' THR . . . . . 0.636 ' OG1' ' HG2' ' W' ' 450' ' ' GLU . 12.2 t -139.56 150.63 45.29 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.429 0.633 . . . . 74.24 112.105 -178.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 449' ' ' TRP . . . . . 0.419 ' HZ3' ' HB3' ' W' ' 436' ' ' ARG . 96.1 m95 -105.71 -6.12 19.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.978 -1.01 . . . . 74.15 110.186 179.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 450' ' ' GLU . . . . . 0.636 ' HG2' ' OG1' ' W' ' 448' ' ' THR . 13.8 pt-20 -98.18 163.0 12.92 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.44 -0.8 . . . . 64.13 109.762 -176.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -74.51 114.5 34.54 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.28 -0.418 . . . . 64.44 110.088 -176.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 452' ' ' PRO . . . . . 0.649 ' HG2' ' HD3' ' W' ' 453' ' ' ARG . 96.6 Cg_endo -77.61 -17.44 14.28 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.585 2.19 . . . . 60.21 112.532 -179.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 453' ' ' ARG . . . . . 0.649 ' HD3' ' HG2' ' W' ' 452' ' ' PRO . 0.0 OUTLIER -76.35 -30.27 57.55 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.592 -0.522 . . . . 75.12 109.592 179.515 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 80.8 mt -75.75 -24.8 56.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.798 -0.637 . . . . 64.21 110.202 177.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 455' ' ' LYS . . . . . 0.457 ' HA ' ' HE3' ' W' ' 455' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 115.916 -0.584 . . . . 64.11 110.12 176.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo . . . . . 0 C--O 1.234 0.323 0 CA-C-O 120.635 0.181 . . . . 73.35 111.786 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' P' P ' 641' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -63.06 137.03 59.59 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.717 2.278 . . . . 74.42 112.31 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 642' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.39 153.55 77.6 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.96 2.44 . . . . 71.24 112.404 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -70.27 149.33 47.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.85 -0.614 . . . . 75.42 111.462 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -57.23 -40.47 77.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.557 -0.747 . . . . 72.51 110.494 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -62.94 -29.35 70.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.619 -0.719 . . . . 64.21 112.844 -177.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 14.0 t -95.65 -18.66 20.35 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.793 -0.363 . . . . 64.21 111.851 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 647' ' ' LEU . . . . . . . . . . . . . 4.5 pp -91.81 -25.65 18.9 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.634 -0.426 . . . . 75.35 110.823 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.534 0 C-N-CA 120.833 -0.699 . . . . 54.21 112.365 178.946 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' W' W ' 423' ' ' LEU . . . . . 0.433 ' HB3' ' HB2' ' W' ' 427' ' ' TRP . 3.7 mm? . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.441 0.162 . . . . 75.23 110.902 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 424' ' ' PRO . . . . . 0.674 ' HG2' ' CD1' ' W' ' 427' ' ' TRP . 33.7 Cg_endo -67.97 172.28 11.07 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.872 2.381 . . . . 63.54 112.428 178.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -49.33 126.51 13.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.414 -0.812 . . . . 71.21 112.427 -178.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 81.35 4.5 90.43 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.183 -0.917 . . . . 63.12 114.699 176.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 427' ' ' TRP . . . . . 0.674 ' CD1' ' HG2' ' W' ' 424' ' ' PRO . 63.2 m95 -101.36 124.93 47.83 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 118.296 1.048 . . . . 74.52 110.759 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -114.0 162.16 16.78 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.771 -0.825 . . . . 63.2 108.771 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 6.7 p -130.78 131.69 64.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 108.523 -0.917 . . . . 74.41 108.523 174.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 430' ' ' ARG . . . . . . . . . . . . . 44.4 ttt-85 -126.76 141.27 51.88 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.968 0.414 . . . . 72.32 110.621 -175.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -82.83 114.0 20.85 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.703 -0.851 . . . . 74.53 108.703 178.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 432' ' ' ALA . . . . . 0.456 ' HB2' ' CD1' ' W' ' 438' ' ' PHE . . . -74.72 153.0 87.25 Favored Pre-proline 0 C--N 1.326 -0.424 0 C-N-CA 120.719 -0.392 . . . . 63.2 110.274 -178.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -58.08 -20.55 46.37 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.012 2.474 . . . . 64.55 112.231 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 434' ' ' ASN . . . . . 0.448 HD22 ' N ' ' W' ' 434' ' ' ASN . 0.9 OUTLIER -78.88 -13.2 59.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 53.01 110.811 178.644 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 109.03 -25.77 17.54 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.965 -0.636 . . . . 72.34 112.707 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 436' ' ' ARG . . . . . 0.48 ' HB3' ' CZ3' ' W' ' 449' ' ' TRP . 1.8 mmm-85 -84.38 125.41 71.98 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-O 120.719 0.295 . . . . 73.52 111.228 -179.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -71.36 135.64 27.15 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.477 2.118 . . . . 71.01 111.485 174.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 438' ' ' PHE . . . . . 0.456 ' CD1' ' HB2' ' W' ' 432' ' ' ALA . 40.5 p90 -125.05 152.7 43.94 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.625 -0.509 . . . . 64.03 109.625 178.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -94.46 140.43 29.84 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.983 0.421 . . . . 72.32 111.099 -176.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 440' ' ' ILE . . . . . 0.754 HG12 HG22 ' W' ' 447' ' ' THR . 45.4 mt -122.94 115.17 45.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.707 -0.679 . . . . 71.12 110.011 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 441' ' ' ASP . . . . . 0.533 ' OD2' HG22 ' W' ' 444' ' ' THR . 22.1 t70 -88.77 116.41 27.02 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.054 0.454 . . . . 74.33 110.798 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -72.7 -14.06 61.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.555 -0.748 . . . . 62.4 112.19 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -76.38 -57.57 3.79 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.119 -0.232 . . . . 70.23 111.578 -176.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 444' ' ' THR . . . . . 0.533 HG22 ' OD2' ' W' ' 441' ' ' ASP . 13.9 t -101.51 -2.51 30.49 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 121.192 -0.203 . . . . 62.05 111.216 -178.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 14.0 mptt 65.67 66.33 0.52 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.118 -0.492 . . . . 54.25 111.519 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 446' ' ' THR . . . . . 0.429 HG22 ' HB3' ' W' ' 441' ' ' ASP . 14.8 t -136.72 151.65 49.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.846 0.355 . . . . 71.22 111.08 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 447' ' ' THR . . . . . 0.754 HG22 HG12 ' W' ' 440' ' ' ILE . 23.2 p -117.83 129.33 55.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.894 -0.593 . . . . 54.43 109.493 177.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 14.7 t -140.55 161.32 38.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.132 0.491 . . . . 71.05 112.2 -176.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 449' ' ' TRP . . . . . 0.602 ' CZ2' ' HD3' ' P' ' 641' ' ' PRO . 97.8 m95 -99.17 -6.67 27.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.624 -0.716 . . . . 74.41 111.209 -178.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -103.94 129.37 51.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.894 -0.594 . . . . 75.15 111.385 -174.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 451' ' ' ASP . . . . . 0.425 ' HA ' ' HD3' ' W' ' 452' ' ' PRO . 5.3 t70 -67.15 132.53 93.56 Favored Pre-proline 0 C--O 1.237 0.438 0 CA-C-O 121.191 0.52 . . . . 72.23 111.769 175.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 452' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' W' ' 451' ' ' ASP . 44.0 Cg_endo -96.56 17.25 0.67 Allowed 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 124.093 3.195 . . . . 62.11 113.348 179.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 453' ' ' ARG . . . . . 0.489 ' HE ' ' HA ' ' W' ' 453' ' ' ARG . 2.1 mmp_? -93.37 -39.63 10.83 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.844 0.354 . . . . 74.33 110.476 178.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 454' ' ' LEU . . . . . 0.409 ' H ' ' HG ' ' W' ' 454' ' ' LEU . 3.4 pp -84.07 -1.97 55.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 71.24 111.376 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? . . . . . 0 C--N 1.322 -0.605 0 CA-C-N 115.822 -0.626 . . . . 74.13 109.846 179.198 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_exo . . . . . 0 C--O 1.235 0.343 0 N-CA-C 111.513 -0.226 . . . . 64.32 111.513 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' P' P ' 641' ' ' PRO . . . . . 0.602 ' HD3' ' CZ2' ' W' ' 449' ' ' TRP . 57.2 Cg_endo -70.54 145.41 52.59 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.429 2.086 . . . . 71.01 111.838 -178.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 642' ' ' PRO . . . . . 0.723 ' HG2' HD21 ' P' ' 647' ' ' LEU . 20.8 Cg_endo -62.45 170.11 7.23 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.842 2.361 . . . . 62.01 112.228 179.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -70.58 151.05 45.44 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.039 -0.528 . . . . 43.31 111.189 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 644' ' ' TYR . . . . . 0.445 ' HA ' HD12 ' P' ' 647' ' ' LEU . 86.7 t80 -59.78 -24.27 63.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.984 -0.553 . . . . 61.41 111.095 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -69.17 -18.53 63.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.887 -0.597 . . . . 75.4 112.185 -177.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 15.1 t -114.64 -0.5 13.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.553 0.692 . . . . 74.14 110.216 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' P' P ' 647' ' ' LEU . . . . . 0.723 HD21 ' HG2' ' P' ' 642' ' ' PRO . 63.9 mt -85.26 -6.86 59.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.676 -0.693 . . . . 74.33 111.051 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.877 -0.678 . . . . 62.12 111.937 179.81 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.2 mm? . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.568 0.223 . . . . 72.31 110.816 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' W' W ' 424' ' ' PRO . . . . . 0.515 ' HG2' ' CD1' ' W' ' 427' ' ' TRP . 28.8 Cg_endo -63.16 172.46 5.07 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 123.341 2.694 . . . . 63.3 113.153 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -43.18 119.8 1.66 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.096 -0.956 . . . . 55.01 113.033 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 83.75 -5.27 79.43 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 114.695 0.638 . . . . 24.43 114.695 175.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 427' ' ' TRP . . . . . 0.515 ' CD1' ' HG2' ' W' ' 424' ' ' PRO . 88.3 m95 -96.43 135.02 38.87 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 118.108 0.954 . . . . 64.12 111.057 -178.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -128.01 165.22 20.7 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.933 -1.136 . . . . 74.24 107.933 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 7.8 p -127.88 134.57 65.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 118.838 0.745 . . . . 73.42 110.35 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 430' ' ' ARG . . . . . 0.545 ' HB3' ' CE1' ' W' ' 438' ' ' PHE . 15.3 tpt180 -112.25 -154.28 0.54 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.441 -0.8 . . . . 73.35 110.153 -177.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 431' ' ' HIS . . . . . 0.538 ' H ' ' HG3' ' W' ' 430' ' ' ARG . 27.8 t-80 -152.19 115.2 4.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.756 0.313 . . . . 63.24 110.268 -169.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 432' ' ' ALA . . . . . 0.472 ' HB1' ' HD2' ' W' ' 433' ' ' PRO . . . -84.93 158.34 59.06 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.218 -0.446 . . . . 53.43 110.217 178.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 433' ' ' PRO . . . . . 0.472 ' HD2' ' HB1' ' W' ' 432' ' ' ALA . 22.8 Cg_endo -60.76 -15.26 36.57 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.257 2.638 . . . . 71.54 113.279 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -90.58 1.83 56.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.96 0.41 . . . . 73.44 110.36 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 83.03 16.91 68.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.004 -0.617 . . . . 73.12 111.592 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 436' ' ' ARG . . . . . . . . . . . . . 36.6 mmm-85 -101.06 131.35 23.37 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.53 -0.335 . . . . 73.11 110.572 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -83.71 130.39 5.1 Favored 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 122.332 2.021 . . . . 63.45 112.123 178.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 438' ' ' PHE . . . . . 0.545 ' CE1' ' HB3' ' W' ' 430' ' ' ARG . 38.3 p90 -120.86 150.94 40.27 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.354 -0.61 . . . . 75.23 109.354 175.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -98.34 140.39 32.68 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.268 0.556 . . . . 74.43 111.568 -174.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 440' ' ' ILE . . . . . 0.647 HG12 HG23 ' W' ' 447' ' ' THR . 34.6 mt -119.71 123.09 70.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.595 -0.729 . . . . 74.42 109.726 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 441' ' ' ASP . . . . . 0.516 ' OD2' HG22 ' W' ' 444' ' ' THR . 15.4 t70 -94.82 121.26 36.24 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.112 0.482 . . . . 73.1 110.988 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -77.9 -16.3 58.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.78 -0.645 . . . . 74.34 111.369 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -72.54 -57.5 4.11 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.179 0.437 . . . . 62.01 112.179 -175.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 444' ' ' THR . . . . . 0.516 HG22 ' OD2' ' W' ' 441' ' ' ASP . 15.0 t -103.9 10.13 36.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.882 0.372 . . . . 74.22 111.218 -177.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? 60.02 54.95 3.95 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.013 -0.539 . . . . 71.42 111.106 177.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 7.2 t -135.97 163.95 29.11 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.257 -0.577 . . . . 62.23 111.395 -178.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 447' ' ' THR . . . . . 0.647 HG23 HG12 ' W' ' 440' ' ' ILE . 7.5 m -128.54 140.8 51.61 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.282 -0.636 . . . . 51.31 109.282 177.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 9.6 t -151.48 166.87 29.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.28 0.562 . . . . 71.15 111.866 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -99.35 -7.07 26.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.439 -0.801 . . . . 73.5 109.81 178.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -76.91 149.98 36.01 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.365 -0.834 . . . . 61.1 111.236 -177.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -98.85 112.41 62.75 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-N 115.265 -0.88 . . . . 74.3 110.373 -177.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.3 -7.06 19.27 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.826 2.351 . . . . 70.14 113.598 -177.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 453' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -83.26 -43.06 16.48 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.081 -0.387 . . . . 73.35 111.955 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 2.7 pp -89.81 -10.05 46.91 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.447 0.536 . . . . 62.14 112.447 -175.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt . . . . . 0 C--N 1.325 -0.465 0 N-CA-C 110.124 -0.324 . . . . 55.13 110.124 178.639 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo . . . . . 0 C--O 1.237 0.437 0 CA-C-O 120.886 0.286 . . . . 70.24 112.216 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' P' P ' 641' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.23 153.01 40.42 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.796 2.331 . . . . 52.24 112.678 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 642' ' ' PRO . . . . . 0.608 ' HG2' ' HB3' ' P' ' 647' ' ' LEU . 59.4 Cg_endo -72.26 171.36 17.06 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.771 2.314 . . . . 51.23 112.205 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 643' ' ' ALA . . . . . 0.482 ' HB3' ' OG1' ' P' ' 646' ' ' THR . . . -68.81 156.6 38.09 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.209 -0.451 . . . . 73.55 110.484 178.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -58.63 -47.75 83.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.201 -0.454 . . . . 73.25 111.687 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -72.15 -19.52 61.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.278 0.561 . . . . 73.34 110.368 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' P' P ' 646' ' ' THR . . . . . 0.482 ' OG1' ' HB3' ' P' ' 643' ' ' ALA . 86.0 m -81.24 -40.41 23.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.364 -0.834 . . . . 71.44 111.185 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 647' ' ' LEU . . . . . 0.608 ' HB3' ' HG2' ' P' ' 642' ' ' PRO . 4.5 pp -80.38 -20.99 42.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.282 -0.417 . . . . 72.34 111.167 -178.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.768 -0.73 . . . . 62.23 112.359 179.663 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' W' W ' 423' ' ' LEU . . . . . 0.517 HD13 ' HD3' ' W' ' 453' ' ' ARG . 2.9 mm? . . . . . 0 N--CA 1.454 -0.231 0 N-CA-C 110.225 -0.287 . . . . 61.43 110.225 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 424' ' ' PRO . . . . . 0.473 ' HB2' ' CD1' ' W' ' 427' ' ' TRP . 35.8 Cg_exo -57.95 156.07 30.42 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.585 2.19 . . . . 74.41 111.008 177.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -76.35 108.52 9.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.248 0.546 . . . . 74.3 110.54 -176.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 130.1 -20.27 5.07 Favored Glycine 0 N--CA 1.444 -0.8 0 N-CA-C 111.005 -0.838 . . . . 72.14 111.005 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 427' ' ' TRP . . . . . 0.473 ' CD1' ' HB2' ' W' ' 424' ' ' PRO . 70.8 m95 -100.63 118.94 37.79 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.931 -0.396 . . . . 75.13 109.931 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -119.4 149.69 41.42 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.18 -0.674 . . . . 54.23 109.18 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 14.0 p -103.94 135.79 40.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-O 121.738 0.78 . . . . 63.43 111.889 -177.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 430' ' ' ARG . . . . . 0.583 ' HA ' ' HE ' ' W' ' 430' ' ' ARG . 0.6 OUTLIER -117.27 -156.13 0.62 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.856 -1.065 . . . . 72.53 110.427 -178.618 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -152.53 108.01 3.29 Favored 'General case' 0 CA--C 1.52 -0.183 0 O-C-N 122.1 -0.375 . . . . 72.25 110.592 -170.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -77.49 152.19 80.93 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 110.003 -0.369 . . . . 74.02 110.003 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.75 -25.29 41.83 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.966 2.444 . . . . 71.4 112.858 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -72.52 -4.49 30.87 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.391 -0.368 . . . . 74.43 111.698 178.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 84.49 23.0 52.47 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.784 -0.722 . . . . 75.24 111.583 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 436' ' ' ARG . . . . . 0.546 ' HD3' ' HD2' ' W' ' 437' ' ' PRO . 0.4 OUTLIER -117.79 122.31 30.8 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.466 -0.568 . . . . 64.53 109.466 -178.099 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' W' W ' 437' ' ' PRO . . . . . 0.546 ' HD2' ' HD3' ' W' ' 436' ' ' ARG . 3.7 Cg_exo -75.48 142.12 26.07 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.86 2.374 . . . . 42.35 111.978 178.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 438' ' ' PHE . . . . . 0.567 ' CE1' HD11 ' W' ' 440' ' ' ILE . 51.7 p90 -133.1 155.8 48.58 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.956 -0.387 . . . . 44.43 109.956 176.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -99.71 143.56 29.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.254 0.55 . . . . 62.24 111.273 -177.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 440' ' ' ILE . . . . . 0.609 HG13 HG22 ' W' ' 447' ' ' THR . 3.6 mp -120.04 127.53 75.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.387 -0.824 . . . . 53.12 110.423 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 441' ' ' ASP . . . . . 0.493 ' OD2' HG22 ' W' ' 444' ' ' THR . 19.9 t70 -91.53 112.33 24.2 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.193 -0.912 . . . . 73.23 109.565 177.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -79.85 -6.3 57.12 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.84 -0.618 . . . . 71.34 111.194 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -76.24 -57.13 4.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 64.22 111.304 -177.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 444' ' ' THR . . . . . 0.493 HG22 ' OD2' ' W' ' 441' ' ' ASP . 14.0 t -109.29 5.35 23.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.572 0.225 . . . . 65.12 111.415 -179.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp 66.62 66.47 0.45 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.085 -0.507 . . . . 70.24 111.948 176.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 15.2 t -141.95 154.92 45.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.86 0.362 . . . . 74.44 111.285 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 447' ' ' THR . . . . . 0.609 HG22 HG13 ' W' ' 440' ' ' ILE . 68.4 p -112.16 141.27 46.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.006 -0.543 . . . . 72.23 109.881 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 14.8 t -148.93 163.8 36.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.165 0.507 . . . . 70.24 111.588 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 449' ' ' TRP . . . . . 0.755 ' HZ2' ' HD3' ' P' ' 641' ' ' PRO . 82.9 m95 -105.33 -4.93 20.96 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.638 -0.71 . . . . 74.14 110.798 -178.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -86.53 155.08 20.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.806 -0.634 . . . . 70.31 110.786 -175.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 451' ' ' ASP . . . . . 0.49 ' HB3' ' HG ' ' W' ' 454' ' ' LEU . 11.1 t0 -98.19 116.45 65.57 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 109.204 -0.665 . . . . 71.52 109.204 -179.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.27 -14.19 37.21 Favored 'Trans proline' 0 CA--C 1.53 0.302 0 C-N-CA 122.61 2.206 . . . . 74.55 114.14 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 453' ' ' ARG . . . . . 0.517 ' HD3' HD13 ' W' ' 423' ' ' LEU . 82.8 mtm180 -80.86 -38.95 27.26 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.145 0.424 . . . . 71.44 112.145 -178.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 454' ' ' LEU . . . . . 0.49 ' HG ' ' HB3' ' W' ' 451' ' ' ASP . 3.7 pp -79.07 -3.71 46.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.222 0.534 . . . . 61.42 111.165 -178.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 455' ' ' LYS . . . . . 0.421 ' HG3' HD12 ' W' ' 454' ' ' LEU . 51.0 mtpt . . . . . 0 C--N 1.324 -0.539 0 N-CA-C 108.862 -0.792 . . . . 44.13 108.862 175.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo . . . . . 0 CA--C 1.531 0.364 0 N-CA-C 111.725 -0.144 . . . . 65.13 111.725 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' P' P ' 641' ' ' PRO . . . . . 0.755 ' HD3' ' HZ2' ' W' ' 449' ' ' TRP . 36.5 Cg_endo -64.98 130.76 26.73 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.204 1.936 . . . . 52.24 111.741 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 642' ' ' PRO . . . . . 0.441 ' HD2' ' HZ ' ' W' ' 438' ' ' PHE . 23.9 Cg_exo -63.93 169.68 10.0 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 123.36 2.707 . . . . 54.11 113.425 -178.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -74.05 157.1 36.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.611 -0.722 . . . . 62.4 110.769 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -55.78 -42.66 75.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.923 -0.581 . . . . 63.5 112.112 -176.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -67.37 -24.1 65.66 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.929 0.714 . . . . 51.43 112.929 -176.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 13.1 t -102.93 -17.06 15.66 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.393 -0.523 . . . . 70.24 112.216 -177.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 647' ' ' LEU . . . . . . . . . . . . . 3.9 pp -90.65 -5.21 56.11 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 121.929 -0.482 . . . . 63.21 111.358 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.295 0 C-N-CA 120.841 -0.695 . . . . 72.43 112.545 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' W' W ' 423' ' ' LEU . . . . . 0.554 ' HB3' ' HB2' ' W' ' 427' ' ' TRP . 2.8 mm? . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 120.393 0.14 . . . . 72.12 111.157 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.96 164.91 11.19 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.867 2.378 . . . . 74.14 111.864 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -58.27 106.98 0.43 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.736 0.779 . . . . 74.21 112.185 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 111.68 -3.7 27.64 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.489 -0.778 . . . . 75.21 111.709 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 427' ' ' TRP . . . . . 0.554 ' HB2' ' HB3' ' W' ' 423' ' ' LEU . 46.0 m95 -101.78 123.5 45.84 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.838 -0.43 . . . . 65.23 109.838 178.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -114.49 155.49 26.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.373 -0.376 . . . . 74.32 109.99 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 5.8 p -107.19 133.46 51.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.563 0.697 . . . . 74.14 110.618 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 430' ' ' ARG . . . . . 0.431 ' HD2' ' HA ' ' W' ' 430' ' ' ARG . 0.9 OUTLIER -114.29 -155.06 0.56 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.378 -0.828 . . . . 64.15 111.508 -176.614 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -152.68 108.42 3.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.952 -0.567 . . . . 73.34 109.857 -172.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -87.51 150.31 48.48 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.23 -0.441 . . . . 65.52 110.393 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.67 -31.62 51.07 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.3 2.667 . . . . 65.42 113.488 -178.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -68.38 -14.44 63.0 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 111.882 0.327 . . . . 70.3 111.882 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 99.49 22.97 11.58 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.61 -0.805 . . . . 61.42 112.469 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 436' ' ' ARG . . . . . 0.443 ' HA ' ' HD3' ' W' ' 437' ' ' PRO . 26.8 mmm180 -114.82 133.29 22.62 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 120.563 0.22 . . . . 74.55 110.484 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 437' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' W' ' 436' ' ' ARG . 5.2 Cg_endo -84.97 98.88 0.69 Allowed 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.762 2.308 . . . . 72.11 111.985 178.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -88.84 143.18 27.06 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.045 -0.354 . . . . 72.14 110.045 179.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -90.39 152.05 21.16 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.95 -178.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 440' ' ' ILE . . . . . 0.798 HG12 HG22 ' W' ' 447' ' ' THR . 47.1 mt -127.08 124.04 63.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.752 -0.658 . . . . 53.11 110.769 -178.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 441' ' ' ASP . . . . . 0.467 ' HB3' HG22 ' W' ' 446' ' ' THR . 8.7 t70 -90.91 116.59 28.85 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.018 -0.537 . . . . 74.55 109.988 178.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -76.06 -13.12 60.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.403 -0.362 . . . . 73.21 111.923 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -69.59 -56.53 7.06 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.758 0.281 . . . . 64.01 111.758 -177.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 444' ' ' THR . . . . . 0.45 HG22 ' OD2' ' W' ' 441' ' ' ASP . 14.2 t -111.51 6.69 20.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.954 0.407 . . . . 72.42 110.735 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 445' ' ' LYS . . . . . 0.454 ' HE2' ' HB2' ' W' ' 445' ' ' LYS . 3.7 mppt? 57.43 64.66 1.53 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.463 -0.789 . . . . 74.3 111.309 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 446' ' ' THR . . . . . 0.467 HG22 ' HB3' ' W' ' 441' ' ' ASP . 14.6 t -129.88 150.22 51.26 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.938 -0.573 . . . . 74.02 109.93 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 447' ' ' THR . . . . . 0.798 HG22 HG12 ' W' ' 440' ' ' ILE . 8.1 p -110.45 140.72 44.43 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.555 -0.293 . . . . 75.43 110.315 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 11.3 t -136.8 142.73 42.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.412 0.625 . . . . 63.31 111.626 -178.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -96.98 -7.4 33.16 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.494 -0.775 . . . . 74.53 109.254 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -90.46 154.47 19.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.237 -1.347 . . . . 73.03 109.67 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -91.86 124.62 59.81 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.351 . . . . 64.51 111.154 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -84.04 -7.6 10.17 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.784 2.323 . . . . 53.32 113.502 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 453' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -77.74 -48.73 15.93 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.604 0.594 . . . . 72.14 112.604 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 4.5 pp -77.99 -14.9 59.36 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.06 0.393 . . . . 61.02 112.06 -176.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt . . . . . 0 C--N 1.324 -0.535 0 N-CA-C 109.465 -0.569 . . . . 72.4 109.465 177.485 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' P' P ' 640' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' P' ' 641' ' ' PRO . 15.5 Cg_endo . . . . . 0 N--CA 1.461 -0.385 0 CA-C-O 121.058 0.357 . . . . 74.25 111.884 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 641' ' ' PRO . . . . . 0.516 ' HA ' ' HD3' ' P' ' 642' ' ' PRO . 72.7 Cg_endo -87.07 152.46 8.28 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 122.847 2.364 . . . . 74.24 112.329 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 642' ' ' PRO . . . . . 0.516 ' HD3' ' HA ' ' P' ' 641' ' ' PRO . 12.6 Cg_exo -71.33 167.54 25.97 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.187 2.591 . . . . 73.04 112.401 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -76.2 171.56 14.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 64.34 111.41 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -63.49 -47.36 82.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.689 -0.687 . . . . 74.13 111.675 -176.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -71.84 -17.05 62.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.381 0.61 . . . . 70.05 110.323 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 42.1 m -78.38 -33.26 48.98 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.299 -0.864 . . . . 74.01 110.345 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 647' ' ' LEU . . . . . . . . . . . . . 4.3 pp -97.62 -17.55 19.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.942 -0.572 . . . . 70.01 111.627 -177.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.756 -0.735 . . . . 70.5 112.582 179.34 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.7 mm? . . . . . 0 C--O 1.234 0.269 0 CA-C-O 120.73 0.3 . . . . 72.21 111.241 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -63.39 155.74 60.39 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.425 2.083 . . . . 75.32 110.633 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 425' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' W' ' 425' ' ' LYS . 24.5 tptp -66.94 107.91 2.4 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.011 0.434 . . . . 71.24 110.782 -175.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 126.9 -10.44 7.05 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.838 -0.696 . . . . 44.53 111.939 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 427' ' ' TRP . . . . . . . . . . . . . 48.3 m95 -85.85 170.82 12.03 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.116 0.484 . . . . 63.12 111.567 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 428' ' ' GLU . . . . . 0.664 ' HB3' ' HB ' ' W' ' 440' ' ' ILE . 11.0 tp10 -148.52 140.37 23.79 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.343 -0.984 . . . . 74.25 108.343 -175.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 64.6 t -103.19 135.55 40.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.129 -0.693 . . . . 73.23 109.129 177.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 430' ' ' ARG . . . . . 0.476 ' HA ' ' NE ' ' W' ' 430' ' ' ARG . 0.2 OUTLIER -127.93 -161.33 1.08 Allowed 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.837 -0.345 . . . . 74.43 110.379 -179.056 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' W' W ' 431' ' ' HIS . . . . . 0.432 ' HA ' ' HA ' ' W' ' 437' ' ' PRO . 42.7 m80 -155.97 131.52 9.61 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.171 -0.307 . . . . 72.13 110.171 -170.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -94.95 150.07 37.22 Favored Pre-proline 0 C--N 1.318 -0.79 0 N-CA-C 108.705 -0.85 . . . . 71.15 108.705 174.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -57.47 -16.43 23.48 Favored 'Trans proline' 0 N--CA 1.473 0.323 0 C-N-CA 122.96 2.44 . . . . 75.24 112.774 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -82.18 -9.16 59.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 71.43 111.181 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 105.57 -16.74 44.0 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.813 -0.708 . . . . 65.11 112.862 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 436' ' ' ARG . . . . . 0.498 ' HA ' ' HD3' ' W' ' 437' ' ' PRO . 18.9 mmm180 -82.88 122.88 78.28 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-O 120.843 0.354 . . . . 44.24 111.292 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 437' ' ' PRO . . . . . 0.498 ' HD3' ' HA ' ' W' ' 436' ' ' ARG . 3.6 Cg_exo -81.12 141.05 12.77 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 123.255 2.637 . . . . 71.21 112.027 178.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -124.82 162.05 25.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.887 -0.412 . . . . 72.32 109.887 177.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -105.39 146.94 28.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.18 -0.463 . . . . 73.32 111.335 -175.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 440' ' ' ILE . . . . . 0.889 HG12 HG22 ' W' ' 447' ' ' THR . 49.1 mt -127.21 146.87 32.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.401 -0.818 . . . . 73.43 109.949 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 441' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -114.88 124.24 51.22 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.211 -0.292 . . . . 72.41 110.211 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 442' ' ' HIS . . . . . 0.55 ' NE2' ' HB2' ' W' ' 428' ' ' GLU . 57.4 m170 -72.8 -21.89 60.91 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.288 0.477 . . . . 75.22 112.288 -178.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -72.02 -58.11 3.72 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.244 0.461 . . . . 70.05 112.244 -173.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 444' ' ' THR . . . . . . . . . . . . . 14.9 t -101.57 -4.67 26.25 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 121.126 -0.23 . . . . 72.11 111.186 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm 65.29 64.63 0.6 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.967 -0.56 . . . . 73.34 111.172 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 15.1 t -132.47 156.96 45.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.259 -0.428 . . . . 64.11 110.913 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 447' ' ' THR . . . . . 0.889 HG22 HG12 ' W' ' 440' ' ' ILE . 32.1 p -120.92 145.28 47.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.999 -0.546 . . . . 63.24 109.781 178.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 9.9 t -146.94 154.16 40.95 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.238 0.542 . . . . 73.11 111.949 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -99.57 -7.98 25.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.293 -0.867 . . . . 75.52 109.44 176.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -86.2 146.88 26.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.381 -0.827 . . . . 72.45 109.365 -177.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -85.55 118.66 71.1 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.503 -0.317 . . . . 71.43 110.376 -175.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.93 -12.3 26.03 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.795 2.33 . . . . 51.04 113.418 -177.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 453' ' ' ARG . . . . . 0.482 ' HA ' ' NE ' ' W' ' 453' ' ' ARG . 4.7 mmp_? -92.33 -36.03 13.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.998 -0.439 . . . . 74.43 111.728 177.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 91.0 mt -79.4 -29.27 41.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.442 0.639 . . . . 71.32 109.861 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm . . . . . 0 C--N 1.322 -0.591 0 CA-C-N 115.193 -0.912 . . . . 74.11 108.79 177.615 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo . . . . . 0 C--O 1.234 0.289 0 CA-C-O 120.723 0.218 . . . . 64.12 112.343 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' P' P ' 641' ' ' PRO . . . . . 0.438 ' HA ' ' HD2' ' P' ' 642' ' ' PRO . 53.9 Cg_endo -72.66 127.52 12.48 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.285 1.99 . . . . 74.42 112.277 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 642' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' P' ' 641' ' ' PRO . 26.6 Cg_endo -61.89 153.42 68.42 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.692 2.261 . . . . 70.33 111.997 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 643' ' ' ALA . . . . . 0.546 ' O ' HG22 ' P' ' 646' ' ' THR . . . -64.98 143.23 58.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.173 -0.467 . . . . 61.4 111.208 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -63.2 -29.67 70.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.251 -0.432 . . . . 73.34 110.646 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -71.79 -12.78 61.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.959 -0.564 . . . . 63.23 112.477 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' P' P ' 646' ' ' THR . . . . . 0.546 HG22 ' O ' ' P' ' 643' ' ' ALA . 14.4 t -108.77 -12.85 14.87 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.479 -0.488 . . . . 75.32 111.18 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 647' ' ' LEU . . . . . 0.465 HD22 ' HG2' ' W' ' 430' ' ' ARG . 4.5 pp -104.49 -17.94 14.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.992 0.425 . . . . 70.3 110.894 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.422 0 C-N-CA 121.039 -0.601 . . . . 71.05 111.961 179.283 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' W' W ' 423' ' ' LEU . . . . . 0.586 ' HB3' ' HB2' ' W' ' 427' ' ' TRP . 3.1 mm? . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.708 0.289 . . . . 64.42 111.428 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -64.6 173.24 5.71 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.943 2.428 . . . . 70.2 111.291 176.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -71.61 109.85 5.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.326 0.584 . . . . 74.33 110.291 -176.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 122.63 -30.79 5.02 Favored Glycine 0 N--CA 1.441 -0.993 0 CA-C-N 115.559 -0.746 . . . . 73.45 111.238 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' W' W ' 427' ' ' TRP . . . . . 0.586 ' HB2' ' HB3' ' W' ' 423' ' ' LEU . 70.7 m95 -81.82 170.76 15.31 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.58 0.228 . . . . 55.33 110.606 179.132 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 428' ' ' GLU . . . . . 0.559 ' HB3' ' HB ' ' W' ' 440' ' ' ILE . 12.2 tp10 -155.41 164.57 38.55 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.209 -1.034 . . . . 70.5 108.209 -175.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 429' ' ' VAL . . . . . 0.449 ' HB ' HD21 ' W' ' 423' ' ' LEU . 13.6 p -125.98 138.92 53.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 118.378 0.535 . . . . 73.22 110.805 175.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 430' ' ' ARG . . . . . 0.516 ' HG3' ' H ' ' W' ' 431' ' ' HIS . 12.4 tpt180 -120.83 -159.68 0.81 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.703 -0.851 . . . . 75.54 108.703 -179.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 431' ' ' HIS . . . . . 0.516 ' H ' ' HG3' ' W' ' 430' ' ' ARG . 29.9 m80 -154.16 115.14 4.04 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.563 -0.532 . . . . 62.23 109.563 -173.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -79.58 149.13 71.04 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 109.909 -0.404 . . . . 61.43 109.909 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.53 -28.6 46.03 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.17 2.58 . . . . 65.53 112.763 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -70.35 -8.35 49.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.965 -0.561 . . . . 65.13 111.812 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 92.37 24.81 23.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.166 -1.016 . . . . 70.31 111.292 -178.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' W' W ' 436' ' ' ARG . . . . . . . . . . . . . 22.0 tpt180 -117.53 114.68 37.97 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.527 -0.337 . . . . 61.03 110.222 -176.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.14 112.66 3.58 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.296 1.997 . . . . 53.33 112.532 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -106.21 147.6 28.89 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.112 -0.699 . . . . 65.43 109.112 176.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' W' W ' 439' ' ' PHE . . . . . 0.511 ' HB2' HG23 ' W' ' 448' ' ' THR . 45.2 m-85 -89.56 158.81 17.5 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.445 0.64 . . . . 72.41 111.653 -176.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 440' ' ' ILE . . . . . 0.804 HG12 HG22 ' W' ' 447' ' ' THR . 35.5 mt -129.58 152.54 37.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.191 -0.913 . . . . 71.12 108.801 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 441' ' ' ASP . . . . . 0.613 ' OD2' HG22 ' W' ' 444' ' ' THR . 25.4 t70 -117.15 126.38 52.71 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 121.083 -0.247 . . . . 73.22 110.564 176.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -78.59 -22.99 46.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.795 -0.184 . . . . 65.05 111.007 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -66.8 -57.89 6.16 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.674 0.273 . . . . 52.21 111.017 -175.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' W' W ' 444' ' ' THR . . . . . 0.732 HG23 HG22 ' W' ' 446' ' ' THR . 9.0 t -95.48 -6.11 41.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.003 0.43 . . . . 75.21 110.136 178.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm 66.1 29.83 9.74 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.233 0.827 . . . . 61.02 113.233 174.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' W' W ' 446' ' ' THR . . . . . 0.732 HG22 HG23 ' W' ' 444' ' ' THR . 11.8 t -115.62 -178.86 3.49 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.674 -0.491 . . . . 61.02 109.674 177.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 447' ' ' THR . . . . . 0.804 HG22 HG12 ' W' ' 440' ' ' ILE . 3.0 p -109.32 153.68 23.57 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.931 -0.396 . . . . 62.3 109.931 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 448' ' ' THR . . . . . 0.511 HG23 ' HB2' ' W' ' 439' ' ' PHE . 8.4 t -133.71 134.34 42.92 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.986 0.422 . . . . 72.0 111.135 -176.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 449' ' ' TRP . . . . . 0.414 ' HE1' ' HD3' ' P' ' 641' ' ' PRO . 49.9 m95 -94.09 -15.89 24.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.323 -0.399 . . . . 72.33 110.621 178.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -88.95 154.22 20.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.329 0.585 . . . . 74.34 110.339 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -86.33 120.89 72.51 Favored Pre-proline 0 C--N 1.316 -0.861 0 CA-C-N 115.219 -0.901 . . . . 74.44 112.55 -173.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' W' W ' 452' ' ' PRO . . . . . 0.495 ' HG2' HD12 ' W' ' 423' ' ' LEU . 97.3 Cg_endo -93.55 21.34 0.63 Allowed 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.711 2.941 . . . . 72.12 112.5 177.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 453' ' ' ARG . . . . . 0.794 ' NE ' ' HA ' ' W' ' 453' ' ' ARG . 2.5 mmp_? -101.01 -47.72 4.67 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.255 -0.884 . . . . 74.23 110.815 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 85.4 mt -85.77 5.55 31.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.104 -0.953 . . . . 74.23 110.49 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt . . . . . 0 C--N 1.325 -0.461 0 N-CA-C 109.202 -0.666 . . . . 52.22 109.202 179.204 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 16.5 Cg_exo . . . . . 0 N--CA 1.461 -0.434 0 CA-C-O 120.768 0.237 . . . . 43.31 111.522 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' P' P ' 641' ' ' PRO . . . . . 0.453 ' HA ' ' HD3' ' P' ' 642' ' ' PRO . 69.2 Cg_endo -76.33 138.72 20.23 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 122.345 2.03 . . . . 72.34 111.715 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 642' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' P' ' 641' ' ' PRO . 34.6 Cg_exo -61.31 154.53 57.74 Favored 'Trans proline' 0 CA--C 1.527 0.149 0 C-N-CA 122.807 2.338 . . . . 74.24 112.224 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 643' ' ' ALA . . . . . 0.47 ' O ' ' HG ' ' P' ' 647' ' ' LEU . . . -80.9 164.16 22.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.465 -0.334 . . . . 53.1 110.463 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -65.26 -15.61 62.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 74.51 111.376 -177.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -71.75 -34.34 69.41 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.468 -0.333 . . . . 73.11 111.665 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 14.5 t -94.73 -26.68 16.18 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.882 -0.327 . . . . 70.14 111.665 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' P' P ' 647' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' P' ' 643' ' ' ALA . 4.2 pp -101.4 7.06 42.79 Favored 'General case' 0 C--N 1.332 -0.175 0 O-C-N 122.025 -0.422 . . . . 74.34 111.399 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.409 0 C-N-CA 120.648 -0.787 . . . . 63.42 112.496 -179.64 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.108 -0.331 . . . . 74.45 110.108 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' W' W ' 424' ' ' PRO . . . . . 0.49 ' HG2' ' CD1' ' W' ' 427' ' ' TRP . 12.6 Cg_endo -58.0 161.69 12.74 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.601 2.201 . . . . 54.24 111.049 176.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -77.17 117.23 18.5 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.302 -0.559 . . . . 52.31 110.115 -175.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 124.62 -27.89 5.36 Favored Glycine 0 N--CA 1.442 -0.921 0 CA-C-N 115.276 -0.874 . . . . 65.44 110.953 -177.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' W' W ' 427' ' ' TRP . . . . . 0.519 ' HA ' ' O ' ' W' ' 440' ' ' ILE . 65.1 m95 -97.0 116.59 29.48 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.788 -0.449 . . . . 71.35 109.788 178.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -114.47 153.95 29.04 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.853 -0.339 . . . . 70.13 110.354 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 57.7 t -93.52 125.09 46.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.187 -0.461 . . . . 50.4 110.722 -178.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' W' W ' 430' ' ' ARG . . . . . 0.509 ' HG3' ' H ' ' W' ' 431' ' ' HIS . 11.5 tpt180 -109.42 -158.21 0.64 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.508 -0.315 . . . . 72.51 110.246 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 431' ' ' HIS . . . . . 0.509 ' H ' ' HG3' ' W' ' 430' ' ' ARG . 3.5 m80 -153.07 121.08 6.13 Favored 'General case' 0 C--N 1.331 -0.216 0 O-C-N 122.197 -0.314 . . . . 74.13 111.327 -171.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -97.5 159.08 31.97 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 109.292 -0.633 . . . . 63.02 109.292 175.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.86 -26.65 49.36 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.751 2.301 . . . . 73.45 113.003 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -75.22 -8.82 57.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.365 -0.38 . . . . 71.31 111.494 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 90.22 9.21 65.61 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 110.681 -0.968 . . . . 52.05 110.681 -176.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' W' W ' 436' ' ' ARG . . . . . 0.476 ' HA ' ' HD3' ' W' ' 437' ' ' PRO . 15.7 mmm180 -90.0 119.03 69.36 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 114.846 -0.677 . . . . 72.21 110.798 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 437' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' W' ' 436' ' ' ARG . 3.3 Cg_exo -81.49 116.63 2.97 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 122.981 2.454 . . . . 64.12 112.165 178.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 438' ' ' PHE . . . . . 0.47 ' HB3' ' CZ3' ' W' ' 449' ' ' TRP . 53.6 p90 -99.64 158.15 15.97 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.502 -0.479 . . . . 61.2 109.882 176.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -98.05 132.85 43.24 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.554 0.692 . . . . 63.43 111.64 -175.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' W' W ' 440' ' ' ILE . . . . . 0.531 HG12 HG22 ' W' ' 447' ' ' THR . 55.9 mt -105.84 121.92 58.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 114.86 -1.064 . . . . 63.44 109.987 178.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 441' ' ' ASP . . . . . 0.501 ' OD2' HG22 ' W' ' 444' ' ' THR . 11.9 t70 -97.53 117.74 32.48 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.975 0.417 . . . . 74.35 110.896 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -79.78 -23.05 42.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.084 -0.507 . . . . 73.01 111.381 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -58.31 -57.26 13.67 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.298 -0.41 . . . . 75.2 111.564 -175.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' W' W ' 444' ' ' THR . . . . . 0.501 HG22 ' OD2' ' W' ' 441' ' ' ASP . 9.0 t -106.97 -1.57 22.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.066 0.46 . . . . 61.43 110.07 178.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 27.2 mtmm 64.04 65.94 0.67 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.549 -0.75 . . . . 51.44 111.576 178.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 6.2 t -141.96 168.57 19.44 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.982 -1.008 . . . . 55.25 109.708 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' W' W ' 447' ' ' THR . . . . . 0.531 HG22 HG12 ' W' ' 440' ' ' ILE . 6.7 p -123.85 138.39 54.5 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.393 -0.225 . . . . 73.5 110.393 178.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 13.4 t -143.47 164.43 30.36 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.402 -0.519 . . . . 73.03 111.924 -177.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' W' W ' 449' ' ' TRP . . . . . 0.47 ' CZ3' ' HB3' ' W' ' 438' ' ' PHE . 95.9 m95 -102.87 -9.25 20.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.575 -0.739 . . . . 70.43 111.26 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -82.65 147.06 28.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.915 0.388 . . . . 54.31 110.411 -178.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' W' W ' 451' ' ' ASP . . . . . 0.57 ' O ' ' HG2' ' W' ' 455' ' ' LYS . 5.6 t70 -90.8 119.95 68.87 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.685 -0.689 . . . . 72.14 112.196 -176.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -84.22 28.13 0.58 Allowed 'Trans proline' 0 CA--C 1.532 0.402 0 C-N-CA 122.996 2.464 . . . . 72.31 112.122 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' W' W ' 453' ' ' ARG . . . . . 0.785 ' HA ' ' NE ' ' W' ' 453' ' ' ARG . 4.1 mmp_? -105.4 -54.18 2.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.56 -0.746 . . . . 75.42 110.88 -179.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 454' ' ' LEU . . . . . 0.488 ' HG ' ' OD2' ' W' ' 451' ' ' ASP . 3.9 pp -93.12 -24.86 18.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.566 -0.743 . . . . 75.53 112.098 -178.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 455' ' ' LYS . . . . . 0.57 ' HG2' ' O ' ' W' ' 451' ' ' ASP . 19.9 ptmt . . . . . 0 C--N 1.324 -0.525 0 C-N-CA 120.606 -0.438 . . . . 54.21 110.186 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo . . . . . 0 CA--C 1.53 0.309 0 CA-C-O 120.872 0.28 . . . . 45.1 112.21 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' P' P ' 641' ' ' PRO . . . . . 0.514 ' HA ' ' HD3' ' P' ' 642' ' ' PRO . 76.6 Cg_endo -78.7 147.66 22.13 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.92 2.413 . . . . 72.44 112.627 -178.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 642' ' ' PRO . . . . . 0.514 ' HD3' ' HA ' ' P' ' 641' ' ' PRO . 21.3 Cg_exo -65.29 163.67 28.47 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.948 2.432 . . . . 75.44 112.417 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -66.56 150.15 49.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.846 -0.616 . . . . 75.32 111.198 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -56.47 -36.91 69.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.744 -0.662 . . . . 75.22 111.372 -178.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -76.77 -12.87 60.04 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.727 0.639 . . . . 72.25 112.727 -177.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 4.8 t -117.72 -14.24 10.17 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.123 -0.631 . . . . 50.03 112.417 -176.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 647' ' ' LEU . . . . . . . . . . . . . 3.9 pp -79.15 -15.04 58.7 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.878 0.371 . . . . 74.23 111.054 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.524 0 CA-C-N 115.909 -0.587 . . . . 73.33 111.674 -179.616 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' W' W ' 423' ' ' LEU . . . . . 0.737 ' HB3' ' HB2' ' W' ' 427' ' ' TRP . 3.3 mm? . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 110.354 -0.239 . . . . 74.12 110.354 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -60.13 159.88 24.61 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.471 2.114 . . . . 74.13 111.133 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 3.1 tpmt? -53.34 104.2 0.09 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.393 0.616 . . . . 64.43 112.374 -177.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 116.5 -3.88 19.85 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.325 -0.852 . . . . 74.22 112.214 173.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 427' ' ' TRP . . . . . 0.737 ' HB2' ' HB3' ' W' ' 423' ' ' LEU . 46.7 m95 -94.65 152.64 18.33 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.635 -0.506 . . . . 63.25 109.635 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -145.33 158.81 43.75 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.566 -0.902 . . . . 73.35 108.566 -177.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 9.0 p -121.57 131.01 74.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 118.663 0.665 . . . . 75.4 109.986 178.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 430' ' ' ARG . . . . . 0.474 ' HD2' HD11 ' W' ' 440' ' ' ILE . 12.9 ttt-85 -113.83 -154.05 0.54 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.253 0.549 . . . . 54.23 112.115 -175.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -151.34 112.56 4.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.316 -0.856 . . . . 72.25 109.404 -170.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -85.49 153.84 58.97 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.994 -0.373 . . . . 74.2 109.994 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -57.86 -21.42 48.79 Favored 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 122.875 2.383 . . . . 64.2 112.727 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -79.42 -8.01 58.81 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.303 -0.408 . . . . 64.44 111.078 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 90.49 22.99 32.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.055 -0.593 . . . . 72.52 111.85 -178.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 436' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' W' ' 436' ' ' ARG . 10.1 mmm180 -109.86 136.86 20.34 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 120.686 0.279 . . . . 72.13 110.759 -179.124 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 437' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' W' ' 436' ' ' ARG . 37.7 Cg_endo -86.97 125.67 2.32 Favored 'Trans proline' 0 N--CA 1.448 -1.163 0 C-N-CA 122.636 2.224 . . . . 55.31 111.749 176.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -122.78 144.91 48.86 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.723 -0.473 . . . . 75.31 109.723 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -90.18 142.43 27.73 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.958 -0.565 . . . . 73.25 111.157 -177.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 440' ' ' ILE . . . . . 0.769 HD13 HD13 ' P' ' 647' ' ' LEU . 40.2 mt -119.97 118.28 56.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.48 -0.782 . . . . 75.14 109.892 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 441' ' ' ASP . . . . . 0.592 ' OD2' HG22 ' W' ' 444' ' ' THR . 12.3 t70 -95.81 120.14 35.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.379 0.609 . . . . 73.23 110.753 179.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -82.2 -7.19 59.62 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.25 -0.886 . . . . 73.22 111.51 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -84.28 -58.03 2.92 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.655 0.264 . . . . 72.14 111.563 -177.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 444' ' ' THR . . . . . 0.592 HG22 ' OD2' ' W' ' 441' ' ' ASP . 4.2 t -95.54 -0.67 51.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.118 0.485 . . . . 75.41 110.291 -178.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt 63.09 65.56 0.78 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.344 -0.844 . . . . 71.1 111.686 175.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 5.7 t -151.88 167.95 26.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.856 0.36 . . . . 71.23 111.159 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 447' ' ' THR . . . . . 0.556 HG22 HG12 ' W' ' 440' ' ' ILE . 20.8 p -120.25 145.59 46.9 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.336 -0.616 . . . . 61.21 109.336 177.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 448' ' ' THR . . . . . 0.526 ' OG1' ' HG2' ' W' ' 450' ' ' GLU . 14.5 t -141.24 156.29 45.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.236 0.541 . . . . 71.1 111.939 -178.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -105.56 -6.7 19.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.172 -0.922 . . . . 73.32 110.782 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 450' ' ' GLU . . . . . 0.526 ' HG2' ' OG1' ' W' ' 448' ' ' THR . 11.3 pt-20 -99.23 161.83 13.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.963 -0.562 . . . . 61.34 110.849 -176.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -89.44 123.97 65.53 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.225 -0.443 . . . . 72.41 110.787 -174.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -84.76 -8.3 9.3 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 122.701 2.267 . . . . 72.11 113.858 -178.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 453' ' ' ARG . . . . . 0.706 ' HE ' ' HA ' ' W' ' 453' ' ' ARG . 2.4 mmp_? -94.82 -24.13 17.19 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.998 -0.439 . . . . 74.14 111.947 178.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 75.7 mt -77.06 -16.39 59.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.166 0.508 . . . . 73.33 110.465 177.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt . . . . . 0 C--N 1.322 -0.588 0 CA-C-N 115.765 -0.652 . . . . 73.42 109.806 -178.44 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo . . . . . 0 C--O 1.235 0.353 0 CA-C-O 120.84 0.267 . . . . 70.45 112.334 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' P' P ' 641' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -70.16 162.41 42.37 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.347 2.032 . . . . 74.42 111.628 178.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 642' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.65 169.49 4.28 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.817 2.345 . . . . 64.24 112.933 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 643' ' ' ALA . . . . . 0.451 ' O ' HG22 ' P' ' 646' ' ' THR . . . -64.37 145.17 56.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.943 -0.572 . . . . 72.54 111.254 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -55.41 -39.38 70.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.062 -0.517 . . . . 74.42 111.35 -178.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -64.83 -26.6 68.41 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.554 0.576 . . . . 75.15 112.554 -177.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' P' P ' 646' ' ' THR . . . . . 0.451 HG22 ' O ' ' P' ' 643' ' ' ALA . 6.3 t -99.16 -2.44 36.85 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.626 -0.43 . . . . 71.41 111.288 -177.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 647' ' ' LEU . . . . . 0.769 HD13 HD13 ' W' ' 440' ' ' ILE . 3.6 pp -116.87 -10.41 11.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.83 0.348 . . . . 74.32 111.224 178.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 C-N-CA 121.053 -0.594 . . . . 73.41 111.803 -179.585 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' W' W ' 423' ' ' LEU . . . . . 0.485 HD11 ' CE1' ' W' ' 439' ' ' PHE . 2.7 mm? . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.473 0.178 . . . . 72.11 110.98 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.2 165.69 8.51 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.632 2.222 . . . . 75.22 111.402 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -71.97 107.52 4.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.173 0.511 . . . . 73.11 110.31 -177.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 129.76 -21.16 5.06 Favored Glycine 0 N--CA 1.441 -1.025 0 N-CA-C 110.386 -1.086 . . . . 34.25 110.386 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 427' ' ' TRP . . . . . 0.408 ' HB2' ' HB3' ' W' ' 423' ' ' LEU . 53.8 m95 -102.59 128.28 49.32 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.04 -0.356 . . . . 64.52 110.04 178.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -113.66 165.6 12.37 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.4 -0.963 . . . . 73.14 108.4 177.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 11.7 p -124.88 137.57 57.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.441 0.638 . . . . 51.33 110.866 177.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 430' ' ' ARG . . . . . 0.529 ' HG2' ' H ' ' W' ' 431' ' ' HIS . 13.0 ttt180 -123.92 -153.18 0.54 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.671 -0.695 . . . . 71.34 110.415 -178.255 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 431' ' ' HIS . . . . . 0.529 ' H ' ' HG2' ' W' ' 430' ' ' ARG . 18.9 m80 -153.75 125.28 7.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.723 0.297 . . . . 74.12 110.657 -168.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -100.87 155.87 35.81 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.996 -0.547 . . . . 55.24 109.745 177.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.77 -25.34 51.13 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.984 2.456 . . . . 73.4 113.111 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -72.64 -12.27 60.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.277 -0.419 . . . . 63.45 111.118 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 97.95 1.76 58.43 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 111.407 -0.677 . . . . 71.51 111.407 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 436' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -86.56 131.19 46.43 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.484 -0.358 . . . . 73.11 110.961 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -87.8 99.14 0.44 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 122.532 2.155 . . . . 70.22 111.439 176.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -86.28 143.15 28.06 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.545 -0.539 . . . . 75.23 109.545 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 439' ' ' PHE . . . . . 0.485 ' CE1' HD11 ' W' ' 423' ' ' LEU . 44.8 m-85 -93.23 151.05 20.05 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.844 -0.616 . . . . 73.3 110.671 -177.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 440' ' ' ILE . . . . . 0.771 HG12 HG22 ' W' ' 447' ' ' THR . 22.4 mt -124.97 120.54 58.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.03 -0.532 . . . . 71.43 109.902 -178.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 441' ' ' ASP . . . . . 0.417 ' OD2' HG22 ' W' ' 444' ' ' THR . 9.1 t70 -90.52 120.48 31.65 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.91 0.386 . . . . 72.04 111.224 -178.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -77.75 -10.44 59.54 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.03 -0.532 . . . . 71.31 112.402 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -73.78 -57.01 4.27 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.749 -0.38 . . . . 70.4 111.242 -177.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 444' ' ' THR . . . . . 0.417 HG22 ' OD2' ' W' ' 441' ' ' ASP . 9.1 t -104.51 0.24 28.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.056 0.455 . . . . 72.5 110.451 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.72 64.49 1.03 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.581 -0.736 . . . . 62.43 111.686 178.182 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 14.8 t -141.96 165.79 26.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.195 -0.457 . . . . 73.42 110.365 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 447' ' ' THR . . . . . 0.771 HG22 HG12 ' W' ' 440' ' ' ILE . 8.8 p -113.01 143.14 44.82 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.335 -0.393 . . . . 73.22 110.485 178.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 11.6 t -136.86 157.53 46.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.028 0.442 . . . . 72.1 110.792 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 449' ' ' TRP . . . . . 0.582 ' CZ2' ' HD3' ' P' ' 641' ' ' PRO . 94.0 m95 -104.4 -7.34 19.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.101 -0.5 . . . . 74.24 110.949 -179.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -93.03 155.49 17.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.99 -0.55 . . . . 71.04 110.629 -175.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 451' ' ' ASP . . . . . 0.405 ' HA ' ' HD3' ' W' ' 452' ' ' PRO . 14.6 t70 -94.46 128.91 38.42 Favored Pre-proline 0 N--CA 1.464 0.26 0 CA-C-N 116.39 -0.368 . . . . 73.45 110.292 -176.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 452' ' ' PRO . . . . . 0.462 ' HG2' HD12 ' W' ' 423' ' ' LEU . 95.6 Cg_endo -87.37 -0.7 7.6 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.834 2.356 . . . . 73.12 114.182 -178.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 453' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -92.17 -36.61 13.19 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 121.469 -0.769 . . . . 75.41 112.547 176.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 3.1 pp -74.34 -7.75 53.91 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.134 0.492 . . . . 74.33 111.596 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt . . . . . 0 C--N 1.319 -0.718 0 N-CA-C 108.01 -1.108 . . . . 64.41 108.01 175.465 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo . . . . . 0 N--CA 1.464 -0.263 0 CA-C-O 120.766 0.236 . . . . 72.41 112.059 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' P' P ' 641' ' ' PRO . . . . . 0.582 ' HD3' ' CZ2' ' W' ' 449' ' ' TRP . 92.9 Cg_endo -85.01 152.3 11.07 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 122.722 2.282 . . . . 71.51 112.46 -178.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 642' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' P' ' 641' ' ' PRO . 6.1 Cg_exo -78.3 174.27 12.65 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 123.469 2.779 . . . . 64.24 112.275 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -72.6 155.91 39.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.878 -0.601 . . . . 63.33 111.065 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 644' ' ' TYR . . . . . 0.549 ' HA ' ' HG ' ' P' ' 647' ' ' LEU . 88.8 t80 -59.15 -36.6 75.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 72.42 111.491 -178.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -59.73 -20.08 54.14 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.014 0.746 . . . . 70.01 113.014 -177.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 13.0 t -113.91 -20.96 10.86 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.451 -0.5 . . . . 75.25 112.224 -178.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' P' P ' 647' ' ' LEU . . . . . 0.549 ' HG ' ' HA ' ' P' ' 644' ' ' TYR . 3.9 pp -87.42 -10.33 52.26 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 122.049 -0.407 . . . . 73.12 111.447 -179.119 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.936 -0.649 . . . . 70.31 112.594 179.412 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 N--CA 1.453 -0.278 0 CA-C-O 120.806 0.336 . . . . 70.41 111.692 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' W' W ' 424' ' ' PRO . . . . . 0.527 ' HB2' ' CD1' ' W' ' 427' ' ' TRP . 23.1 Cg_exo -64.07 172.27 6.41 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.959 2.439 . . . . 54.53 111.826 176.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -70.6 109.61 4.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.063 0.459 . . . . 72.13 111.16 -175.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 112.07 -20.56 21.53 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.677 -0.773 . . . . 72.2 112.787 178.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 427' ' ' TRP . . . . . 0.647 ' HZ3' HG21 ' W' ' 448' ' ' THR . 50.2 m95 -85.92 115.62 23.65 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.157 0.504 . . . . 64.44 111.002 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -107.56 169.41 8.61 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.98 0.419 . . . . 75.14 111.047 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 89.6 t -127.14 129.59 71.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.86 -0.609 . . . . 64.4 110.278 -176.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 430' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -110.4 -158.19 0.64 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.187 -0.301 . . . . 72.35 110.187 178.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -155.02 110.72 3.12 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 121.228 -0.189 . . . . 74.21 110.736 -171.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -81.99 154.53 70.12 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 109.325 -0.62 . . . . 74.21 109.325 176.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -51.95 -31.82 45.13 Favored 'Trans proline' 0 N--CA 1.475 0.425 0 C-N-CA 123.19 2.593 . . . . 65.04 113.434 -178.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -77.01 -7.46 55.68 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.493 -0.322 . . . . 72.43 111.525 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 94.2 18.19 37.45 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.776 -0.726 . . . . 75.01 111.799 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 436' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -94.14 114.41 63.18 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.001 0.429 . . . . 64.44 110.477 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -83.96 106.13 1.2 Allowed 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 122.795 2.33 . . . . 74.14 112.575 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -94.9 157.83 15.74 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 120.076 -0.65 . . . . 73.44 109.515 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -95.44 143.35 26.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.374 0.607 . . . . 74.11 111.518 -175.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 440' ' ' ILE . . . . . . . . . . . . . 58.2 mt -112.81 134.46 55.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.074 -0.966 . . . . 65.21 108.734 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 441' ' ' ASP . . . . . 0.421 ' OD2' HG22 ' W' ' 444' ' ' THR . 24.2 t70 -108.32 116.06 31.26 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.247 0.546 . . . . 61.2 111.901 -176.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 442' ' ' HIS . . . . . 0.416 ' O ' ' HE3' ' W' ' 445' ' ' LYS . 44.3 m-70 -79.6 1.28 26.67 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.514 -0.767 . . . . 72.11 111.919 178.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -91.33 -58.55 2.41 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 121.945 -0.472 . . . . 53.52 111.917 -175.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 444' ' ' THR . . . . . 0.421 HG22 ' OD2' ' W' ' 441' ' ' ASP . 8.9 t -104.07 3.59 33.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.915 0.388 . . . . 72.12 110.523 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 445' ' ' LYS . . . . . 0.416 ' HE3' ' O ' ' W' ' 442' ' ' HIS . 16.5 mmtp 65.41 65.27 0.57 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.663 -0.699 . . . . 74.52 111.596 176.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 13.2 t -152.62 -177.69 6.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.08 -0.509 . . . . 72.41 110.418 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 447' ' ' THR . . . . . . . . . . . . . 17.1 p -119.81 150.09 41.0 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.171 -0.677 . . . . 75.03 109.171 176.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 448' ' ' THR . . . . . 0.647 HG21 ' HZ3' ' W' ' 427' ' ' TRP . 5.3 t -146.95 155.66 42.45 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.033 -0.667 . . . . 72.22 111.663 -177.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -106.12 -15.59 14.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.739 -0.664 . . . . 72.32 111.152 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 450' ' ' GLU . . . . . 0.519 ' HG2' ' OG1' ' W' ' 448' ' ' THR . 11.3 pt-20 -75.24 130.52 39.25 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.3 0.571 . . . . 73.21 111.345 -178.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 451' ' ' ASP . . . . . 0.417 ' HA ' ' HD3' ' W' ' 452' ' ' PRO . 3.9 t70 -84.51 124.03 73.91 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.48 -0.782 . . . . 74.24 111.233 179.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 452' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' W' ' 451' ' ' ASP . 79.4 Cg_endo -95.24 24.26 0.36 Allowed 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 123.635 2.89 . . . . 70.11 112.186 177.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 453' ' ' ARG . . . . . 0.769 ' HA ' ' NE ' ' W' ' 453' ' ' ARG . 3.2 mmp_? -100.48 -50.6 3.86 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.796 -0.638 . . . . 70.43 111.475 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 92.9 mt -76.43 1.67 15.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.821 -0.627 . . . . 72.23 111.373 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 116.193 -0.458 . . . . 74.14 110.681 -179.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo . . . . . 0 C--O 1.234 0.279 0 N-CA-C 111.189 -0.351 . . . . 55.05 111.189 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' P' P ' 641' ' ' PRO . . . . . 0.529 ' HA ' ' HD3' ' P' ' 642' ' ' PRO . 93.3 Cg_endo -80.62 124.98 5.38 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.497 2.131 . . . . 45.3 112.806 -177.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 642' ' ' PRO . . . . . 0.593 ' HD2' HD21 ' P' ' 647' ' ' LEU . 13.4 Cg_exo -70.76 173.6 11.63 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.519 2.813 . . . . 72.02 111.978 178.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 643' ' ' ALA . . . . . 0.568 ' O ' ' HG ' ' P' ' 647' ' ' LEU . . . -72.2 156.92 38.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.045 0.45 . . . . 65.25 111.495 -178.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -57.01 -29.09 63.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.628 -0.715 . . . . 75.34 111.945 -177.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -62.74 -30.47 71.45 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.464 0.542 . . . . 73.12 112.464 -177.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 11.7 t -109.34 3.84 21.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.279 0.562 . . . . 61.52 110.842 -178.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' P' P ' 647' ' ' LEU . . . . . 0.593 HD21 ' HD2' ' P' ' 642' ' ' PRO . 43.8 mt -88.93 -20.06 25.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.281 -0.418 . . . . 74.11 111.078 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.609 -0.805 . . . . 25.44 112.117 179.817 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--O 1.233 0.234 0 N-CA-C 108.579 -0.897 . . . . 72.22 108.579 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -53.83 125.09 17.53 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 121.451 1.434 . . . . 74.12 109.678 173.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.19 96.91 0.08 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.951 0.881 . . . . 74.15 112.274 -174.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 154.83 -20.48 0.59 Allowed Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 108.231 -1.948 . . . . 74.1 108.231 172.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 427' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -89.36 171.71 9.56 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 114.199 -1.0 . . . . 73.22 109.26 173.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 428' ' ' GLU . . . . . 0.54 ' HB2' ' NE2' ' W' ' 442' ' ' HIS . 9.2 tp10 -146.88 146.91 30.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.158 0.504 . . . . 73.42 111.886 -176.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 62.4 t -97.93 125.82 51.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.222 -0.899 . . . . 73.33 109.811 175.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 430' ' ' ARG . . . . . 0.441 ' O ' ' HA ' ' W' ' 437' ' ' PRO . 7.8 tpt180 -133.26 147.03 51.92 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.234 -0.587 . . . . 75.2 110.943 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 18.6 m170 -91.74 138.81 31.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.069 0.462 . . . . 63.25 111.886 -178.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -101.54 163.75 17.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.338 -0.846 . . . . 55.35 109.48 176.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.85 -6.05 3.13 Favored 'Trans proline' 0 CA--C 1.534 0.504 0 C-N-CA 123.093 2.529 . . . . 55.22 113.642 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -107.87 15.45 24.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.966 0.412 . . . . 61.13 110.544 -178.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 70.59 9.87 65.96 Favored Glycine 0 C--O 1.229 -0.184 0 C-N-CA 121.119 -0.562 . . . . 63.43 112.575 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 436' ' ' ARG . . . . . 0.431 ' HA ' ' HD3' ' W' ' 437' ' ' PRO . 19.5 tpp180 -93.53 118.3 67.51 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 110.248 -0.278 . . . . 75.13 110.248 -179.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 437' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' W' ' 430' ' ' ARG . 5.8 Cg_exo -78.9 111.44 2.96 Favored 'Trans proline' 0 N--CA 1.453 -0.906 0 C-N-CA 122.841 2.361 . . . . 62.35 111.471 176.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -99.85 165.71 11.43 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.844 -0.428 . . . . 73.2 109.844 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 439' ' ' PHE . . . . . 0.44 ' CE2' ' HB2' ' W' ' 451' ' ' ASP . 80.6 m-85 -108.32 142.92 37.92 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.977 -0.556 . . . . 72.34 111.28 -175.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 440' ' ' ILE . . . . . 0.785 HG12 HG22 ' W' ' 447' ' ' THR . 21.9 mt -127.34 153.97 37.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.299 -0.864 . . . . 63.41 109.821 -178.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 441' ' ' ASP . . . . . 0.496 ' OD2' HG22 ' W' ' 444' ' ' THR . 6.2 t70 -112.11 131.79 55.23 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 107.781 -1.192 . . . . 73.44 107.781 173.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 442' ' ' HIS . . . . . 0.54 ' NE2' ' HB2' ' W' ' 428' ' ' GLU . 26.8 m170 -79.53 -25.04 41.8 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 119.785 1.175 . . . . 74.44 110.713 -176.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -60.65 -56.9 15.81 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.953 -0.567 . . . . 62.01 112.004 -174.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 444' ' ' THR . . . . . 0.656 HG23 ' HB ' ' W' ' 446' ' ' THR . 13.3 t -107.45 7.84 29.17 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.399 -0.364 . . . . 72.0 111.301 -176.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 60.36 30.69 20.02 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.254 0.55 . . . . 72.21 110.675 179.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 446' ' ' THR . . . . . 0.656 ' HB ' HG23 ' W' ' 444' ' ' THR . 1.0 OUTLIER -92.75 141.66 28.21 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.304 -0.862 . . . . 62.2 111.773 -176.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' W' W ' 447' ' ' THR . . . . . 0.785 HG22 HG12 ' W' ' 440' ' ' ILE . 16.4 p -111.33 145.4 38.91 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.803 -0.635 . . . . 61.3 109.948 177.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 448' ' ' THR . . . . . 0.452 ' OG1' ' HG2' ' W' ' 450' ' ' GLU . 13.2 t -144.41 163.57 33.38 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.972 0.415 . . . . 63.12 111.131 -178.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -105.41 -5.9 19.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.056 -0.52 . . . . 74.31 111.266 -178.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 450' ' ' GLU . . . . . 0.452 ' HG2' ' OG1' ' W' ' 448' ' ' THR . 7.3 pt-20 -101.04 160.65 14.2 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.429 -0.582 . . . . 71.41 109.429 -179.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 451' ' ' ASP . . . . . 0.572 ' O ' ' HG2' ' W' ' 455' ' ' LYS . 1.8 t70 -114.52 131.37 23.38 Favored Pre-proline 0 C--N 1.323 -0.57 0 C-N-CA 121.327 -0.149 . . . . 75.52 111.317 -173.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.51 -4.26 15.03 Favored 'Trans proline' 0 CA--C 1.537 0.675 0 C-N-CA 123.106 2.537 . . . . 74.04 114.036 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 453' ' ' ARG . . . . . 0.52 ' HE ' ' HA ' ' W' ' 453' ' ' ARG . 1.0 OUTLIER -81.7 -50.61 9.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.026 0.441 . . . . 75.3 110.791 175.072 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' W' W ' 454' ' ' LEU . . . . . 0.453 ' HG ' ' OD2' ' W' ' 451' ' ' ASP . 3.9 pp -80.94 -2.5 47.96 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.567 0.581 . . . . 73.25 112.567 -177.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 455' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' W' ' 451' ' ' ASP . 18.1 ptpt . . . . . 0 C--N 1.326 -0.422 0 N-CA-C 109.537 -0.542 . . . . 72.33 109.537 179.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 640' ' ' PRO . . . . . 0.477 ' HA ' ' HD3' ' P' ' 641' ' ' PRO . 2.4 Cg_endo . . . . . 0 N--CA 1.452 -0.936 0 CA-C-O 120.863 0.276 . . . . 74.31 112.27 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 641' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' P' ' 640' ' ' PRO . 34.2 Cg_endo -92.94 141.52 1.98 Allowed 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 123.133 2.556 . . . . 70.15 111.482 176.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 642' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.1 136.38 72.9 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.562 2.175 . . . . 74.32 112.236 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -65.93 147.53 53.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.17 -0.468 . . . . 61.25 110.418 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 644' ' ' TYR . . . . . 0.495 ' HA ' ' HB2' ' P' ' 647' ' ' LEU . 27.6 t80 -62.84 -14.8 50.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.101 0.476 . . . . 60.45 110.812 -178.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -61.14 -37.81 84.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.859 -0.61 . . . . 43.5 110.82 177.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 14.2 t -96.63 -11.45 25.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.143 0.497 . . . . 71.21 110.439 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' P' P ' 647' ' ' LEU . . . . . 0.495 ' HB2' ' HA ' ' P' ' 644' ' ' TYR . 93.6 mt -84.72 -43.08 14.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.069 -0.514 . . . . 54.33 110.757 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 C-N-CA 120.94 -0.648 . . . . 71.2 112.037 -179.913 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.794 0 N-CA-C 111.251 -0.74 . . . . 61.42 111.251 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 73.6 m -68.71 128.5 36.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.931 0.396 . . . . 74.25 110.12 178.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 418' ' ' MET . . . . . 0.569 ' HG2' ' HA ' ' W' ' 454' ' ' LEU . 30.3 mtm -119.27 -94.3 0.5 Allowed 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.314 -0.624 . . . . 72.2 109.314 -179.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 419' ' ' GLU . . . . . 0.409 ' H ' ' HB2' ' W' ' 418' ' ' MET . 47.9 mt-10 52.22 78.92 0.12 Allowed 'General case' 0 C--O 1.232 0.176 0 O-C-N 124.115 0.884 . . . . 72.3 112.885 174.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -47.2 101.32 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.286 0 CA-C-O 121.73 0.776 . . . . 75.1 112.146 176.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . -154.97 -46.2 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.461 0 N-CA-C 109.979 -1.248 . . . . 50.33 109.979 178.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 422' ' ' PHE . . . . . 0.415 ' O ' ' HD2' ' W' ' 453' ' ' ARG . 79.4 m-85 -113.58 137.37 51.68 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 108.302 -0.999 . . . . 73.31 108.302 174.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -114.39 157.67 41.94 Favored Pre-proline 0 C--N 1.316 -0.849 0 C-N-CA 121.179 -0.209 . . . . 72.5 110.905 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -68.43 172.01 12.0 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.901 2.401 . . . . 53.51 111.876 178.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -57.75 135.87 56.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.109 -0.496 . . . . 74.02 110.748 179.509 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 77.64 -5.33 52.7 Favored Glycine 0 CA--C 1.52 0.391 0 CA-C-N 115.84 -0.618 . . . . 50.31 113.893 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 427' ' ' TRP . . . . . . . . . . . . . 84.0 m95 -102.88 124.83 49.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 117.529 0.665 . . . . 74.1 111.47 -178.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 428' ' ' GLU . . . . . 0.408 ' HB3' ' HB ' ' W' ' 440' ' ' ILE . 6.6 tp10 -114.45 165.41 12.77 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.045 -0.724 . . . . 71.35 109.045 177.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 14.2 p -135.66 135.98 50.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 N-CA-C 109.484 -0.562 . . . . 62.32 109.484 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 430' ' ' ARG . . . . . . . . . . . . . 18.9 ttt180 -138.12 170.05 16.71 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.426 -0.352 . . . . 71.23 110.142 -178.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -106.85 133.8 50.96 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.781 0.324 . . . . 74.53 110.358 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -85.73 155.68 58.79 Favored Pre-proline 0 C--N 1.319 -0.76 0 N-CA-C 108.95 -0.759 . . . . 52.41 108.95 178.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -56.14 -23.58 45.44 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.552 2.168 . . . . 72.51 112.182 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -74.88 -14.47 60.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 73.43 111.262 178.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 106.95 -19.54 35.14 Favored Glycine 0 CA--C 1.518 0.226 0 C-N-CA 120.732 -0.747 . . . . 53.0 112.804 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 436' ' ' ARG . . . . . 0.44 ' HA ' ' HD3' ' W' ' 436' ' ' ARG . 15.9 mmt180 -81.0 140.25 49.87 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-O 120.859 0.361 . . . . 72.21 111.269 -179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -83.16 140.16 9.75 Favored 'Trans proline' 0 N--CA 1.457 -0.663 0 C-N-CA 122.798 2.332 . . . . 73.41 112.103 177.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 49.1 p90 -131.11 149.72 52.47 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.007 0.432 . . . . 74.34 109.987 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -96.9 141.66 29.82 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.583 -0.735 . . . . 72.32 110.58 -177.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 440' ' ' ILE . . . . . 0.459 HD13 HD21 ' P' ' 647' ' ' LEU . 13.8 mt -121.54 114.22 42.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.251 -0.886 . . . . 74.32 110.465 -176.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 441' ' ' ASP . . . . . 0.581 ' OD2' HG22 ' W' ' 444' ' ' THR . 18.8 t70 -89.0 109.67 20.47 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.066 0.46 . . . . 71.41 110.884 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 442' ' ' HIS . . . . . 0.4 ' HE2' ' HB2' ' W' ' 428' ' ' GLU . 39.6 m-70 -61.8 -24.57 66.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.641 -0.709 . . . . 64.45 112.141 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -66.58 -56.88 8.7 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 112.436 0.532 . . . . 43.42 112.436 -174.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 444' ' ' THR . . . . . 0.581 HG22 ' OD2' ' W' ' 441' ' ' ASP . 14.8 t -111.19 11.29 21.83 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.23 0.456 . . . . 75.24 112.23 -177.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp 64.0 29.13 14.39 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.141 -0.482 . . . . 41.14 112.009 175.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 4.1 t -104.7 151.23 23.96 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.258 0.551 . . . . 63.52 111.195 -178.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 447' ' ' THR . . . . . . . . . . . . . 2.7 p -116.03 146.86 41.81 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.702 -0.681 . . . . 72.22 110.083 177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 8.9 t -145.37 150.96 37.52 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.002 0.43 . . . . 71.33 111.606 -179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -97.05 -9.44 28.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.321 0.581 . . . . 72.34 109.532 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -85.7 151.65 23.69 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.18 -0.918 . . . . 72.35 110.111 -176.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 451' ' ' ASP . . . . . 0.414 ' HB3' ' CD2' ' W' ' 454' ' ' LEU . 12.9 t70 -94.87 123.53 57.4 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 109.977 -0.379 . . . . 72.1 109.977 -176.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -81.68 -4.87 12.32 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.782 2.321 . . . . 73.2 113.957 -177.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 453' ' ' ARG . . . . . 0.415 ' HD2' ' O ' ' W' ' 422' ' ' PHE . 9.6 mtp180 -93.75 -32.48 13.99 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.942 -0.303 . . . . 72.31 111.701 -179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 454' ' ' LEU . . . . . 0.916 HD12 ' HG3' ' W' ' 455' ' ' LYS . 3.7 pp -78.11 -8.5 58.33 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.268 0.556 . . . . 75.35 110.724 178.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 455' ' ' LYS . . . . . 0.916 ' HG3' HD12 ' W' ' 454' ' ' LEU . 61.1 mtpt -115.84 128.81 56.1 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.673 -1.232 . . . . 72.21 107.673 174.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 456' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' W' ' 457' ' ' PRO . 62.2 mt -104.27 114.16 64.53 Favored Pre-proline 0 C--N 1.32 -0.71 0 C-N-CA 120.622 -0.431 . . . . 70.12 111.635 -173.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 457' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' W' ' 456' ' ' ILE . 6.8 Cg_exo -74.42 118.57 5.4 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 122.87 2.38 . . . . 74.54 110.994 175.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.222 -0.445 . . . . 62.34 110.304 -178.921 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 21.7 p . . . . . 0 C--O 1.232 0.166 0 CA-C-O 121.16 0.505 . . . . 73.23 110.995 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' P' P ' 639' ' ' ALA . . . . . . . . . . . . . . . -124.68 144.81 47.54 Favored Pre-proline 0 C--N 1.324 -0.507 0 CA-C-N 115.716 -0.675 . . . . 50.44 110.401 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -80.16 151.03 20.56 Favored 'Trans proline' 0 N--CA 1.462 -0.369 0 C-N-CA 122.598 2.199 . . . . 61.53 111.705 177.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 641' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -81.2 150.34 17.59 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.077 1.851 . . . . 72.44 111.999 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 642' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -59.97 140.26 91.9 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.677 2.251 . . . . 74.24 112.104 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -68.52 163.89 22.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.133 0.492 . . . . 65.43 111.078 -179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -61.22 -39.75 91.42 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.6 -0.727 . . . . 54.31 111.082 -177.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -76.01 -20.34 57.9 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.542 0.687 . . . . 72.23 110.221 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 95.0 m -78.16 -36.98 46.91 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.2 -0.909 . . . . 70.23 110.869 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' P' P ' 647' ' ' LEU . . . . . 0.459 HD21 HD13 ' W' ' 440' ' ' ILE . 4.2 pp -90.69 -6.27 54.71 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.889 -0.596 . . . . 71.22 111.475 -177.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.773 -0.727 . . . . 65.14 112.129 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.658 0 N-CA-C 111.958 -0.457 . . . . 61.12 111.958 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 28.0 t -156.69 122.48 4.83 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.973 0.416 . . . . 52.33 110.065 -178.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 418' ' ' MET . . . . . . . . . . . . . 37.8 tpp -119.85 124.34 45.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.217 -0.447 . . . . 64.44 110.414 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 419' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -63.12 126.67 28.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.977 -0.556 . . . . 62.13 111.017 178.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -61.64 112.62 2.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.203 0.525 . . . . 75.22 110.403 178.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . -136.05 -122.88 2.23 Favored Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.238 -0.892 . . . . 70.23 111.032 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 422' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -119.04 144.23 46.66 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.129 0.49 . . . . 73.44 111.081 178.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -94.94 155.64 38.89 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.359 -0.837 . . . . 71.13 110.158 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.52 164.2 24.42 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.637 2.225 . . . . 72.2 111.772 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 425' ' ' LYS . . . . . 0.426 ' C ' ' HD3' ' W' ' 425' ' ' LYS . 0.6 OUTLIER -50.59 125.91 14.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.402 0.62 . . . . 75.2 111.725 179.419 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 77.82 4.84 86.05 Favored Glycine 0 C--O 1.223 -0.556 0 CA-C-N 115.208 -0.906 . . . . 70.25 114.267 178.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 427' ' ' TRP . . . . . . . . . . . . . 68.2 m95 -102.92 122.6 44.91 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 118.136 0.968 . . . . 71.34 110.596 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 428' ' ' GLU . . . . . 0.444 ' HB2' ' CD2' ' W' ' 442' ' ' HIS . 6.5 tp10 -114.01 165.81 12.24 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.631 -0.713 . . . . 74.34 109.181 -179.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 5.9 p -135.85 132.12 50.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.761 0 N-CA-C 109.315 -0.624 . . . . 71.13 109.315 176.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 430' ' ' ARG . . . . . 0.422 ' O ' ' HA ' ' W' ' 437' ' ' PRO . 6.7 mtt180 -124.17 161.42 25.74 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.479 -0.328 . . . . 71.32 110.186 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -98.94 118.81 36.56 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 110.195 -0.298 . . . . 73.1 110.195 179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 432' ' ' ALA . . . . . 0.464 ' HB2' ' HD2' ' W' ' 438' ' ' PHE . . . -75.72 154.88 85.33 Favored Pre-proline 0 C--N 1.325 -0.473 0 CA-C-N 116.346 -0.388 . . . . 44.21 110.394 -179.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 15.9 Cg_endo -57.91 -20.59 45.16 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.642 2.228 . . . . 65.12 111.97 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 -69.54 -15.93 63.33 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 116.113 -0.494 . . . . 73.12 110.663 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 96.59 18.05 31.58 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.81 -0.71 . . . . 53.54 112.355 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 436' ' ' ARG . . . . . 0.555 ' HG2' ' HD2' ' W' ' 437' ' ' PRO . 1.9 tmm_? -135.47 137.26 25.75 Favored Pre-proline 0 C--N 1.327 -0.41 0 N-CA-C 109.455 -0.572 . . . . 73.01 109.455 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 437' ' ' PRO . . . . . 0.555 ' HD2' ' HG2' ' W' ' 436' ' ' ARG . 55.2 Cg_endo -71.64 149.63 55.43 Favored 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.701 2.267 . . . . 64.01 114.114 -178.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 438' ' ' PHE . . . . . 0.464 ' HD2' ' HB2' ' W' ' 432' ' ' ALA . 52.1 p90 -134.78 157.49 46.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.939 -1.028 . . . . 73.13 108.408 174.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -100.2 141.91 32.4 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-O 121.411 0.624 . . . . 75.43 111.937 -175.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 440' ' ' ILE . . . . . 0.761 HG12 HG22 ' W' ' 447' ' ' THR . 35.9 mt -122.45 115.59 46.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.148 -0.933 . . . . 71.44 109.927 -178.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 441' ' ' ASP . . . . . 0.582 ' OD2' HG22 ' W' ' 444' ' ' THR . 17.7 t70 -85.84 109.02 18.4 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 120.994 0.426 . . . . 64.44 111.148 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 442' ' ' HIS . . . . . 0.444 ' CD2' ' HB2' ' W' ' 428' ' ' GLU . 60.7 m-70 -60.57 -23.91 65.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.987 -0.551 . . . . 72.44 111.792 177.136 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 443' ' ' ASN . . . . . 0.449 ' HB2' ' OD2' ' W' ' 441' ' ' ASP . 61.5 m-80 -62.2 -57.07 12.84 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 111.619 0.229 . . . . 62.33 111.619 -177.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 444' ' ' THR . . . . . 0.582 HG22 ' OD2' ' W' ' 441' ' ' ASP . 12.2 t -109.43 5.57 23.51 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.014 0.375 . . . . 72.11 112.014 -178.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 13.8 mptt 65.73 31.26 9.79 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 112.08 0.4 . . . . 65.42 112.08 177.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 4.5 t -104.41 161.84 13.74 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.301 -0.409 . . . . 53.25 110.906 -178.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 447' ' ' THR . . . . . 0.761 HG22 HG12 ' W' ' 440' ' ' ILE . 10.4 p -122.11 141.92 50.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.938 -0.574 . . . . 74.44 109.992 178.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 13.2 t -147.34 163.48 36.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.009 0.433 . . . . 71.41 111.118 -179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 449' ' ' TRP . . . . . 0.439 ' HZ2' ' HD3' ' P' ' 641' ' ' PRO . 86.1 m95 -104.36 -8.49 19.18 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.837 -0.62 . . . . 63.41 110.422 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -78.11 146.19 35.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.047 -0.524 . . . . 62.2 110.439 -178.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 451' ' ' ASP . . . . . 0.478 ' OD2' ' HG ' ' W' ' 454' ' ' LEU . 19.1 t70 -89.06 124.33 65.26 Favored Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 116.363 -0.38 . . . . 61.23 110.368 -178.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -86.94 -0.31 7.85 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.86 2.373 . . . . 73.04 113.553 -178.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 453' ' ' ARG . . . . . . . . . . . . . 46.4 mtp85 -87.75 -46.51 9.41 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.188 0.44 . . . . 70.43 112.188 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 454' ' ' LEU . . . . . 0.478 ' HG ' ' OD2' ' W' ' 451' ' ' ASP . 3.7 pp -80.46 -10.3 59.75 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.812 -0.355 . . . . 72.45 111.744 -177.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -146.88 153.29 39.96 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.774 -0.454 . . . . 73.42 109.774 178.471 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 456' ' ' ILE . . . . . 0.458 ' HA ' ' HD3' ' W' ' 457' ' ' PRO . 26.3 pt -70.4 135.57 86.5 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 120.933 0.397 . . . . 70.2 111.177 -178.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 457' ' ' PRO . . . . . 0.458 ' HD3' ' HA ' ' W' ' 456' ' ' ILE . 5.8 Cg_exo -78.52 176.72 9.58 Favored 'Trans proline' 0 N--CA 1.46 -0.445 0 C-N-CA 123.11 2.54 . . . . 72.2 112.431 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 116.059 -0.519 . . . . 70.22 111.04 179.268 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 15.1 m . . . . . 0 C--O 1.234 0.289 0 CA-C-O 120.965 0.412 . . . . 70.45 110.678 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' P' P ' 639' ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' P' ' 640' ' ' PRO . . . -100.79 119.26 58.87 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.314 -0.403 . . . . 70.4 109.936 177.26 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 640' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' P' ' 639' ' ' ALA . 13.4 Cg_exo -69.85 145.13 55.71 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 123.034 2.489 . . . . 65.42 112.328 -179.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 641' ' ' PRO . . . . . 0.465 ' HA ' ' HD3' ' P' ' 642' ' ' PRO . 92.9 Cg_endo -82.07 138.74 10.35 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.547 2.165 . . . . 74.24 112.084 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 642' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' P' ' 641' ' ' PRO . 6.0 Cg_exo -78.14 173.64 13.62 Favored 'Trans proline' 0 N--CA 1.461 -0.4 0 C-N-CA 123.184 2.59 . . . . 72.33 112.098 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -70.35 159.28 34.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.381 -0.372 . . . . 63.43 110.113 177.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -59.22 -44.14 92.29 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.84 0.352 . . . . 72.14 111.701 -177.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -72.93 -15.47 61.57 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.36 0.6 . . . . 71.13 110.529 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 90.4 m -87.56 -40.17 14.49 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.086 -0.961 . . . . 72.54 110.763 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 647' ' ' LEU . . . . . . . . . . . . . 4.2 pp -84.61 -16.44 42.07 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.905 -0.589 . . . . 74.43 111.476 -177.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.444 0 C-N-CA 120.675 -0.774 . . . . 53.5 112.067 179.732 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.632 0 N-CA-C 112.059 -0.416 . . . . 74.44 112.059 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 50.6 m -102.67 133.33 47.86 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.883 0.373 . . . . 42.14 111.021 -179.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 418' ' ' MET . . . . . . . . . . . . . 47.6 tpp -65.33 -31.01 71.91 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.226 -0.657 . . . . 71.52 109.226 177.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 419' ' ' GLU . . . . . 0.533 ' HG2' ' NH1' ' W' ' 453' ' ' ARG . 10.6 tp10 -141.5 140.01 33.41 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.156 -0.929 . . . . 71.02 108.581 177.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -74.31 135.11 42.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.055 0.455 . . . . 63.23 111.228 -178.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . 109.43 -133.18 11.48 Favored Glycine 0 N--CA 1.443 -0.867 0 CA-C-N 115.784 -0.644 . . . . 53.11 111.971 178.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 422' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -129.34 -159.46 0.96 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.864 0.364 . . . . 73.15 110.174 -179.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -68.42 158.57 84.52 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 109.124 -0.695 . . . . 64.02 109.124 177.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 424' ' ' PRO . . . . . 0.569 ' HB2' ' CD1' ' W' ' 427' ' ' TRP . 50.4 Cg_exo -53.39 145.03 47.59 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.128 1.886 . . . . 75.42 111.056 177.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -58.35 107.41 0.49 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.336 0.588 . . . . 45.41 111.49 -175.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 121.51 -6.24 10.67 Favored Glycine 0 N--CA 1.446 -0.659 0 CA-C-N 115.223 -0.899 . . . . 72.42 111.864 177.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 427' ' ' TRP . . . . . 0.569 ' CD1' ' HB2' ' W' ' 424' ' ' PRO . 32.7 m95 -100.21 124.98 46.29 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.905 -0.406 . . . . 75.43 109.905 -179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -127.78 156.62 42.18 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.835 -0.432 . . . . 62.24 109.835 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 43.0 t -103.55 135.53 40.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.918 0.39 . . . . 74.3 111.046 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 430' ' ' ARG . . . . . 0.547 ' HD2' HD11 ' W' ' 440' ' ' ILE . 0.2 OUTLIER -118.44 -153.77 0.54 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.184 -0.462 . . . . 75.15 110.566 179.692 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' W' W ' 431' ' ' HIS . . . . . 0.437 ' H ' ' HG2' ' W' ' 430' ' ' ARG . 12.6 m80 -151.32 111.23 4.07 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.948 -0.39 . . . . 72.53 109.948 -170.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 432' ' ' ALA . . . . . 0.444 ' HB2' ' HD1' ' W' ' 438' ' ' PHE . . . -90.21 149.9 42.21 Favored Pre-proline 0 C--N 1.323 -0.58 0 CA-C-N 116.676 -0.238 . . . . 74.2 110.43 179.17 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -51.92 -31.84 44.95 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.328 2.685 . . . . 75.44 112.921 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 15.3 m-80 -64.95 -14.3 59.67 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 120.636 0.255 . . . . 74.42 111.611 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 94.84 23.75 19.68 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.505 -0.855 . . . . 75.04 111.461 -178.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 436' ' ' ARG . . . . . 0.427 ' HA ' ' HD3' ' W' ' 437' ' ' PRO . 15.3 mmm180 -119.47 123.14 28.85 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.483 -0.359 . . . . 72.15 110.869 -179.007 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 437' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' W' ' 436' ' ' ARG . 11.7 Cg_exo -73.26 107.86 2.48 Favored 'Trans proline' 0 N--CA 1.461 -0.386 0 C-N-CA 123.107 2.538 . . . . 52.33 111.919 177.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 438' ' ' PHE . . . . . 0.444 ' HD1' ' HB2' ' W' ' 432' ' ' ALA . 53.9 p90 -95.5 155.11 16.88 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.879 -0.415 . . . . 61.23 109.879 177.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 60.9 m-85 -95.24 138.32 33.1 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.256 0.55 . . . . 71.24 110.986 -176.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 440' ' ' ILE . . . . . 0.547 HD11 ' HD2' ' W' ' 430' ' ' ARG . 34.7 mt -110.09 116.08 51.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-N 115.534 -0.757 . . . . 75.32 109.831 179.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 441' ' ' ASP . . . . . 0.543 ' OD2' HG22 ' W' ' 444' ' ' THR . 25.1 t70 -90.71 110.7 21.87 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.108 -0.701 . . . . 74.22 109.108 175.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -78.57 -8.31 58.47 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.468 -0.787 . . . . 75.13 110.659 -177.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 59.1 m-80 -75.45 -57.74 3.7 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.046 0.387 . . . . 64.34 112.046 -177.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 444' ' ' THR . . . . . 0.543 HG22 ' OD2' ' W' ' 441' ' ' ASP . 13.8 t -101.97 1.89 37.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.806 0.336 . . . . 74.21 110.737 -179.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 445' ' ' LYS . . . . . 0.404 ' HD2' ' CE1' ' P' ' 644' ' ' TYR . 72.8 mmtt 66.1 65.88 0.5 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.816 -0.629 . . . . 71.05 110.993 177.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 7.6 t -148.81 163.31 37.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.042 -0.527 . . . . 74.43 110.701 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 447' ' ' THR . . . . . . . . . . . . . 11.3 p -118.86 143.79 46.75 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.979 -0.378 . . . . 74.3 109.979 178.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 448' ' ' THR . . . . . 0.447 ' OG1' ' HG2' ' W' ' 450' ' ' GLU . 15.1 t -141.02 160.97 38.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.785 0.326 . . . . 72.41 111.251 -178.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 449' ' ' TRP . . . . . 0.563 ' HZ2' ' HD3' ' P' ' 641' ' ' PRO . 94.8 m95 -105.68 -7.92 18.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.263 -0.426 . . . . 64.22 111.46 -179.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 450' ' ' GLU . . . . . 0.447 ' HG2' ' OG1' ' W' ' 448' ' ' THR . 13.5 pt-20 -89.35 158.08 17.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.758 0.314 . . . . 74.22 111.218 -175.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -98.71 129.81 29.22 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 72.11 109.892 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -90.31 -18.02 1.4 Allowed 'Trans proline' 0 CA--C 1.538 0.683 0 C-N-CA 122.751 2.3 . . . . 64.25 114.668 -178.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 453' ' ' ARG . . . . . 0.854 ' HE ' ' HA ' ' W' ' 453' ' ' ARG . 2.3 mmp_? -93.56 -18.83 21.8 Favored 'General case' 0 N--CA 1.463 0.178 0 O-C-N 121.373 -0.83 . . . . 74.41 112.512 -177.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 86.2 mt -79.37 7.4 7.99 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.555 0.693 . . . . 73.33 109.585 174.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -128.9 148.88 50.95 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 114.873 -1.058 . . . . 75.43 108.776 -178.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 456' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' W' ' 457' ' ' PRO . 13.6 pt -123.18 106.33 33.53 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-O 121.164 0.506 . . . . 74.22 110.925 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 457' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' W' ' 456' ' ' ILE . 3.0 Cg_exo -76.12 131.33 12.93 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 123.103 2.535 . . . . 61.5 111.906 179.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 116.103 -0.499 . . . . 73.25 110.646 179.581 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 24.6 m . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 120.943 0.402 . . . . 74.14 110.781 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' P' P ' 639' ' ' ALA . . . . . 0.409 ' HA ' ' HD2' ' P' ' 640' ' ' PRO . . . -101.25 117.62 61.8 Favored Pre-proline 0 C--N 1.324 -0.52 0 CA-C-N 116.173 -0.467 . . . . 62.24 110.389 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 640' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' P' ' 639' ' ' ALA . 35.0 Cg_endo -64.89 148.52 89.91 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.972 2.448 . . . . 52.25 112.362 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 641' ' ' PRO . . . . . 0.563 ' HD3' ' HZ2' ' W' ' 449' ' ' TRP . 60.3 Cg_endo -72.12 154.12 57.22 Favored 'Trans proline' 0 C--O 1.235 0.325 0 C-N-CA 122.655 2.236 . . . . 73.14 112.054 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 642' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.12 162.62 41.21 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.628 2.218 . . . . 65.03 111.976 178.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -78.22 157.17 29.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.349 -0.387 . . . . 74.41 110.563 178.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 644' ' ' TYR . . . . . 0.404 ' CE1' ' HD2' ' W' ' 445' ' ' LYS . 29.1 t80 -52.35 -37.07 55.15 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.524 -0.762 . . . . 70.52 111.905 -177.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -64.01 -49.93 70.49 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 112.453 0.538 . . . . 64.42 112.453 -176.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 14.4 t -74.54 -22.99 58.74 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.513 0.56 . . . . 65.43 112.513 -176.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 647' ' ' LEU . . . . . . . . . . . . . 4.6 pp -91.06 -26.19 19.28 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.557 -0.457 . . . . 54.33 111.413 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.407 0 C-N-CA 120.552 -0.832 . . . . 65.51 112.687 179.287 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.68 0 N-CA-C 112.142 -0.383 . . . . 52.31 112.142 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 17.7 t -149.13 11.51 0.82 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.264 0.554 . . . . 53.21 110.428 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 418' ' ' MET . . . . . . . . . . . . . 11.5 tpt -93.79 112.01 23.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.211 0.529 . . . . 72.4 110.967 -177.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 419' ' ' GLU . . . . . . . . . . . . . 18.6 mt-10 -61.07 -57.94 10.48 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.212 -0.904 . . . . 65.35 110.071 178.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -106.28 100.88 10.4 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.987 -0.746 . . . . 65.22 108.987 176.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . -68.45 82.92 0.2 Allowed Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 116.08 -0.509 . . . . 70.22 113.831 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 422' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -122.12 -176.41 3.34 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 108.465 -0.939 . . . . 73.3 108.465 175.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 423' ' ' LEU . . . . . 0.411 HD13 ' HD2' ' W' ' 453' ' ' ARG . 2.8 mm? -114.1 149.93 42.77 Favored Pre-proline 0 C--N 1.321 -0.649 0 C-N-CA 120.868 -0.333 . . . . 73.44 110.991 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -63.15 168.04 11.52 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.498 2.132 . . . . 65.14 110.251 176.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 425' ' ' LYS . . . . . 0.43 ' HA ' ' HD2' ' W' ' 425' ' ' LYS . 20.5 tptm -75.19 107.26 7.17 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.907 -0.717 . . . . 73.21 109.727 -177.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 133.97 -25.02 3.57 Favored Glycine 0 N--CA 1.437 -1.235 0 N-CA-C 110.158 -1.177 . . . . 41.44 110.158 -178.321 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 427' ' ' TRP . . . . . . . . . . . . . 71.4 m95 -100.8 152.14 20.85 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.115 -0.328 . . . . 64.25 110.115 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -145.69 159.13 43.6 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.223 -1.029 . . . . 75.54 108.223 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 11.5 p -108.87 138.06 37.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 118.441 0.564 . . . . 65.34 110.109 178.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 430' ' ' ARG . . . . . 0.4 ' HD2' ' HA ' ' W' ' 430' ' ' ARG . 0.1 OUTLIER -123.52 -157.57 0.76 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.817 -0.628 . . . . 61.12 111.091 -177.027 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 11.9 m80 -152.0 113.89 4.43 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.751 0.31 . . . . 72.14 110.617 -171.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -85.6 154.33 58.98 Favored Pre-proline 0 C--N 1.325 -0.482 0 CA-C-N 116.23 -0.441 . . . . 72.3 110.051 178.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -55.26 -24.8 43.77 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 123.145 2.563 . . . . 73.31 113.248 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -75.31 -5.69 46.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.547 -0.297 . . . . 74.42 111.503 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 88.22 22.96 39.19 Favored Glycine 0 C--N 1.33 0.241 0 N-CA-C 111.259 -0.736 . . . . 54.25 111.259 -178.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 436' ' ' ARG . . . . . 0.419 ' HB3' ' HZ3' ' W' ' 449' ' ' TRP . 10.8 mmm180 -112.52 125.85 29.32 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.266 -0.467 . . . . 74.05 110.671 -177.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -81.16 122.59 4.24 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.679 2.253 . . . . 71.53 112.429 178.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 50.4 p90 -118.13 146.79 43.91 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.634 -0.506 . . . . 75.14 109.634 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 45.0 m-85 -92.6 137.91 31.96 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 116.221 -0.445 . . . . 73.54 110.746 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 440' ' ' ILE . . . . . 0.63 HG12 HG22 ' W' ' 447' ' ' THR . 49.2 mt -116.66 138.45 47.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.794 -0.639 . . . . 61.3 110.257 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 441' ' ' ASP . . . . . 0.51 ' HB3' HG22 ' W' ' 446' ' ' THR . 13.3 t70 -103.9 123.46 47.17 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.946 -0.57 . . . . 75.24 110.52 177.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 76.7 m-70 -74.67 -17.34 60.69 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.168 -0.469 . . . . 71.43 111.89 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -76.89 -58.56 3.21 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.295 0.48 . . . . 75.21 112.295 -174.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 444' ' ' THR . . . . . 0.482 HG22 ' OD2' ' W' ' 441' ' ' ASP . 14.5 t -106.38 -1.05 23.72 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.82 0.343 . . . . 71.23 110.827 -178.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm 63.42 54.96 1.87 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.819 -0.628 . . . . 74.34 111.3 177.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 446' ' ' THR . . . . . 0.51 HG22 ' HB3' ' W' ' 441' ' ' ASP . 13.7 t -116.92 160.69 20.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.603 -0.726 . . . . 74.3 109.581 178.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 447' ' ' THR . . . . . 0.63 HG22 HG12 ' W' ' 440' ' ' ILE . 46.7 p -124.96 144.41 50.38 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.802 -0.444 . . . . 55.42 109.802 179.236 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 448' ' ' THR . . . . . 0.636 ' OG1' ' HG2' ' W' ' 450' ' ' GLU . 12.2 t -139.56 150.63 45.29 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.429 0.633 . . . . 74.24 112.105 -178.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 449' ' ' TRP . . . . . 0.419 ' HZ3' ' HB3' ' W' ' 436' ' ' ARG . 96.1 m95 -105.71 -6.12 19.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.978 -1.01 . . . . 74.15 110.186 179.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 450' ' ' GLU . . . . . 0.636 ' HG2' ' OG1' ' W' ' 448' ' ' THR . 13.8 pt-20 -98.18 163.0 12.92 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.44 -0.8 . . . . 64.13 109.762 -176.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -74.51 114.5 34.54 Favored Pre-proline 0 C--N 1.323 -0.583 0 CA-C-N 116.28 -0.418 . . . . 64.44 110.088 -176.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 452' ' ' PRO . . . . . 0.649 ' HG2' ' HD3' ' W' ' 453' ' ' ARG . 96.6 Cg_endo -77.61 -17.44 14.28 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.585 2.19 . . . . 60.21 112.532 -179.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 453' ' ' ARG . . . . . 0.649 ' HD3' ' HG2' ' W' ' 452' ' ' PRO . 0.0 OUTLIER -76.35 -30.27 57.55 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.592 -0.522 . . . . 75.12 109.592 179.515 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 80.8 mt -75.75 -24.8 56.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.798 -0.637 . . . . 64.21 110.202 177.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 455' ' ' LYS . . . . . 0.457 ' HA ' ' HE3' ' W' ' 455' ' ' LYS . 0.0 OUTLIER -64.49 124.68 22.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.916 -0.584 . . . . 64.11 110.12 176.657 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' W' W ' 456' ' ' ILE . . . . . . . . . . . . . 5.5 tp -101.51 104.31 33.27 Favored Pre-proline 0 C--N 1.324 -0.537 0 CA-C-O 121.366 0.603 . . . . 73.2 110.967 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 457' ' ' PRO . . . . . 0.455 ' HD3' ' O ' ' W' ' 455' ' ' LYS . 4.4 Cg_endo -86.29 118.71 1.66 Allowed 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 123.236 2.624 . . . . 71.1 111.545 179.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 116.608 -0.269 . . . . 65.32 110.85 179.706 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 12.6 p . . . . . 0 C--O 1.234 0.245 0 CA-C-O 121.198 0.523 . . . . 74.15 111.324 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' P' P ' 639' ' ' ALA . . . . . . . . . . . . . . . -89.54 144.93 32.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.133 -0.485 . . . . 62.33 110.514 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -58.45 143.17 98.15 Favored 'Trans proline' 0 C--O 1.234 0.323 0 C-N-CA 122.73 2.286 . . . . 73.35 111.786 179.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 641' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_endo -63.06 137.03 59.59 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.717 2.278 . . . . 74.42 112.31 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 642' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.39 153.55 77.6 Favored 'Trans proline' 0 C--N 1.343 0.264 0 C-N-CA 122.96 2.44 . . . . 71.24 112.404 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -70.27 149.33 47.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.85 -0.614 . . . . 75.42 111.462 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -57.23 -40.47 77.62 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.557 -0.747 . . . . 72.51 110.494 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -62.94 -29.35 70.72 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.619 -0.719 . . . . 64.21 112.844 -177.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 14.0 t -95.65 -18.66 20.35 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.793 -0.363 . . . . 64.21 111.851 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 647' ' ' LEU . . . . . . . . . . . . . 4.5 pp -91.81 -25.65 18.9 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.634 -0.426 . . . . 75.35 110.823 178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.534 0 C-N-CA 120.833 -0.699 . . . . 54.21 112.365 178.946 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.747 0 N-CA-C 111.443 -0.663 . . . . 63.42 111.443 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 77.5 p -85.7 158.02 20.16 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 109.426 -0.583 . . . . 71.12 109.426 178.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 418' ' ' MET . . . . . . . . . . . . . 35.4 ttm -95.71 97.52 9.77 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 120.915 0.388 . . . . 71.22 110.601 -177.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 419' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -117.59 3.2 12.4 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 108.754 -0.832 . . . . 71.01 108.754 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -62.69 -57.59 10.47 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.018 -0.992 . . . . 53.2 111.674 -175.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . 128.5 -150.12 18.5 Favored Glycine 0 N--CA 1.445 -0.706 0 C-N-CA 120.719 -0.753 . . . . 52.41 111.839 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 422' ' ' PHE . . . . . . . . . . . . . 33.2 t80 76.96 50.29 0.05 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 N-CA-C 108.038 -1.097 . . . . 65.44 108.038 -179.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 423' ' ' LEU . . . . . 0.433 ' HB3' ' HB2' ' W' ' 427' ' ' TRP . 3.7 mm? -67.66 150.77 97.67 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 114.195 -1.366 . . . . 75.23 110.902 -177.312 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 424' ' ' PRO . . . . . 0.674 ' HG2' ' CD1' ' W' ' 427' ' ' TRP . 33.7 Cg_endo -67.97 172.28 11.07 Favored 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.872 2.381 . . . . 63.54 112.428 178.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -49.33 126.51 13.2 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.414 -0.812 . . . . 71.21 112.427 -178.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 81.35 4.5 90.43 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.183 -0.917 . . . . 63.12 114.699 176.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 427' ' ' TRP . . . . . 0.674 ' CD1' ' HG2' ' W' ' 424' ' ' PRO . 63.2 m95 -101.36 124.93 47.83 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 118.296 1.048 . . . . 74.52 110.759 -179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -114.0 162.16 16.78 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.771 -0.825 . . . . 63.2 108.771 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 6.7 p -130.78 131.69 64.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 108.523 -0.917 . . . . 74.41 108.523 174.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 430' ' ' ARG . . . . . . . . . . . . . 44.4 ttt-85 -126.76 141.27 51.88 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.968 0.414 . . . . 72.32 110.621 -175.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 46.8 t-80 -82.83 114.0 20.85 Favored 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 108.703 -0.851 . . . . 74.53 108.703 178.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 432' ' ' ALA . . . . . 0.456 ' HB2' ' CD1' ' W' ' 438' ' ' PHE . . . -74.72 153.0 87.25 Favored Pre-proline 0 C--N 1.326 -0.424 0 C-N-CA 120.719 -0.392 . . . . 63.2 110.274 -178.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 16.1 Cg_endo -58.08 -20.55 46.37 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 123.012 2.474 . . . . 64.55 112.231 178.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 434' ' ' ASN . . . . . 0.448 HD22 ' N ' ' W' ' 434' ' ' ASN . 0.9 OUTLIER -78.88 -13.2 59.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 53.01 110.811 178.644 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 109.03 -25.77 17.54 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.965 -0.636 . . . . 72.34 112.707 178.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 436' ' ' ARG . . . . . 0.48 ' HB3' ' CZ3' ' W' ' 449' ' ' TRP . 1.8 mmm-85 -84.38 125.41 71.98 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-O 120.719 0.295 . . . . 73.52 111.228 -179.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 12.8 Cg_exo -71.36 135.64 27.15 Favored 'Trans proline' 0 C--O 1.235 0.352 0 C-N-CA 122.477 2.118 . . . . 71.01 111.485 174.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 438' ' ' PHE . . . . . 0.456 ' CD1' ' HB2' ' W' ' 432' ' ' ALA . 40.5 p90 -125.05 152.7 43.94 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.625 -0.509 . . . . 64.03 109.625 178.174 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -94.46 140.43 29.84 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.983 0.421 . . . . 72.32 111.099 -176.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 440' ' ' ILE . . . . . 0.754 HG12 HG22 ' W' ' 447' ' ' THR . 45.4 mt -122.94 115.17 45.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.707 -0.679 . . . . 71.12 110.011 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 441' ' ' ASP . . . . . 0.533 ' OD2' HG22 ' W' ' 444' ' ' THR . 22.1 t70 -88.77 116.41 27.02 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.054 0.454 . . . . 74.33 110.798 179.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -72.7 -14.06 61.48 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.555 -0.748 . . . . 62.4 112.19 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -76.38 -57.57 3.79 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 121.119 -0.232 . . . . 70.23 111.578 -176.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 444' ' ' THR . . . . . 0.533 HG22 ' OD2' ' W' ' 441' ' ' ASP . 13.9 t -101.51 -2.51 30.49 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 121.192 -0.203 . . . . 62.05 111.216 -178.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 14.0 mptt 65.67 66.33 0.52 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.118 -0.492 . . . . 54.25 111.519 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 446' ' ' THR . . . . . 0.429 HG22 ' HB3' ' W' ' 441' ' ' ASP . 14.8 t -136.72 151.65 49.48 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.846 0.355 . . . . 71.22 111.08 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 447' ' ' THR . . . . . 0.754 HG22 HG12 ' W' ' 440' ' ' ILE . 23.2 p -117.83 129.33 55.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.894 -0.593 . . . . 54.43 109.493 177.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 14.7 t -140.55 161.32 38.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.132 0.491 . . . . 71.05 112.2 -176.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 449' ' ' TRP . . . . . 0.602 ' CZ2' ' HD3' ' P' ' 641' ' ' PRO . 97.8 m95 -99.17 -6.67 27.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.624 -0.716 . . . . 74.41 111.209 -178.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -103.94 129.37 51.48 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.894 -0.594 . . . . 75.15 111.385 -174.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 451' ' ' ASP . . . . . 0.425 ' HA ' ' HD3' ' W' ' 452' ' ' PRO . 5.3 t70 -67.15 132.53 93.56 Favored Pre-proline 0 C--O 1.237 0.438 0 CA-C-O 121.191 0.52 . . . . 72.23 111.769 175.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 452' ' ' PRO . . . . . 0.863 ' HB2' ' HG3' ' W' ' 457' ' ' PRO . 44.0 Cg_endo -96.56 17.25 0.67 Allowed 'Trans proline' 0 N--CA 1.455 -0.743 0 C-N-CA 124.093 3.195 . . . . 62.11 113.348 179.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 453' ' ' ARG . . . . . 0.489 ' HE ' ' HA ' ' W' ' 453' ' ' ARG . 2.1 mmp_? -93.37 -39.63 10.83 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.844 0.354 . . . . 74.33 110.476 178.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 454' ' ' LEU . . . . . 0.409 ' H ' ' HG ' ' W' ' 454' ' ' LEU . 3.4 pp -84.07 -1.97 55.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 71.24 111.376 -179.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 9.3 ptpp? -147.94 170.86 16.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.822 -0.626 . . . . 74.13 109.846 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 456' ' ' ILE . . . . . . . . . . . . . 45.8 mm -87.24 118.3 69.76 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 109.055 -0.72 . . . . 65.11 109.055 177.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 457' ' ' PRO . . . . . 0.863 ' HG3' ' HB2' ' W' ' 452' ' ' PRO . 51.5 Cg_exo -52.22 115.42 2.17 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 123.3 2.667 . . . . 73.23 113.215 -177.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.449 0 CA-C-N 116.083 -0.508 . . . . 71.33 110.837 179.275 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 9.5 m . . . . . 0 C--O 1.236 0.344 0 CA-C-O 121.047 0.451 . . . . 71.55 110.972 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' P' P ' 639' ' ' ALA . . . . . 0.426 ' HA ' ' HD3' ' P' ' 640' ' ' PRO . . . -103.52 139.59 20.26 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.044 -0.526 . . . . 52.23 110.56 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 640' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' P' ' 639' ' ' ALA . 32.9 Cg_exo -61.17 138.65 79.11 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.649 2.233 . . . . 64.32 111.513 178.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 641' ' ' PRO . . . . . 0.602 ' HD3' ' CZ2' ' W' ' 449' ' ' TRP . 57.2 Cg_endo -70.54 145.41 52.59 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.429 2.086 . . . . 71.01 111.838 -178.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 642' ' ' PRO . . . . . 0.723 ' HG2' HD21 ' P' ' 647' ' ' LEU . 20.8 Cg_endo -62.45 170.11 7.23 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.842 2.361 . . . . 62.01 112.228 179.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -70.58 151.05 45.44 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.039 -0.528 . . . . 43.31 111.189 -178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 644' ' ' TYR . . . . . 0.445 ' HA ' HD12 ' P' ' 647' ' ' LEU . 86.7 t80 -59.78 -24.27 63.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.984 -0.553 . . . . 61.41 111.095 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -69.17 -18.53 63.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.887 -0.597 . . . . 75.4 112.185 -177.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 15.1 t -114.64 -0.5 13.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.553 0.692 . . . . 74.14 110.216 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' P' P ' 647' ' ' LEU . . . . . 0.723 HD21 ' HG2' ' P' ' 642' ' ' PRO . 63.9 mt -85.26 -6.86 59.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.676 -0.693 . . . . 74.33 111.051 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.877 -0.678 . . . . 62.12 111.937 179.81 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.821 0 N-CA-C 112.155 -0.378 . . . . 73.12 112.155 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 12.8 p -135.75 178.63 6.89 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.254 -0.276 . . . . 72.32 110.254 -179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 418' ' ' MET . . . . . . . . . . . . . 96.8 mmm -105.04 149.36 25.87 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.276 0.56 . . . . 72.25 111.307 -178.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 419' ' ' GLU . . . . . 0.444 ' H ' ' CD ' ' W' ' 419' ' ' GLU . 1.2 pm0 -86.72 41.61 0.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.26 -0.882 . . . . 75.44 111.044 -179.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -131.67 107.4 8.78 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.15 -0.685 . . . . 74.13 109.15 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . -84.13 17.64 26.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.941 -0.647 . . . . 35.42 113.687 -176.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 422' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -115.47 143.55 45.15 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.885 0.374 . . . . 74.42 110.374 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -86.41 141.03 34.23 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 116.097 -0.501 . . . . 72.31 110.816 -178.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 424' ' ' PRO . . . . . 0.515 ' HG2' ' CD1' ' W' ' 427' ' ' TRP . 28.8 Cg_endo -63.16 172.46 5.07 Favored 'Trans proline' 0 CA--C 1.531 0.348 0 C-N-CA 123.341 2.694 . . . . 63.3 113.153 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -43.18 119.8 1.66 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.096 -0.956 . . . . 55.01 113.033 -179.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 83.75 -5.27 79.43 Favored Glycine 0 N--CA 1.449 -0.497 0 N-CA-C 114.695 0.638 . . . . 24.43 114.695 175.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 427' ' ' TRP . . . . . 0.515 ' CD1' ' HG2' ' W' ' 424' ' ' PRO . 88.3 m95 -96.43 135.02 38.87 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 118.108 0.954 . . . . 64.12 111.057 -178.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -128.01 165.22 20.7 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 107.933 -1.136 . . . . 74.24 107.933 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 7.8 p -127.88 134.57 65.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 118.838 0.745 . . . . 73.42 110.35 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 430' ' ' ARG . . . . . 0.545 ' HB3' ' CE1' ' W' ' 438' ' ' PHE . 15.3 tpt180 -112.25 -154.28 0.54 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.441 -0.8 . . . . 73.35 110.153 -177.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 431' ' ' HIS . . . . . 0.538 ' H ' ' HG3' ' W' ' 430' ' ' ARG . 27.8 t-80 -152.19 115.2 4.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.756 0.313 . . . . 63.24 110.268 -169.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 432' ' ' ALA . . . . . 0.472 ' HB1' ' HD2' ' W' ' 433' ' ' PRO . . . -84.93 158.34 59.06 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.218 -0.446 . . . . 53.43 110.217 178.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 433' ' ' PRO . . . . . 0.472 ' HD2' ' HB1' ' W' ' 432' ' ' ALA . 22.8 Cg_endo -60.76 -15.26 36.57 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 123.257 2.638 . . . . 71.54 113.279 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -90.58 1.83 56.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.96 0.41 . . . . 73.44 110.36 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 83.03 16.91 68.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 121.004 -0.617 . . . . 73.12 111.592 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 436' ' ' ARG . . . . . . . . . . . . . 36.6 mmm-85 -101.06 131.35 23.37 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.53 -0.335 . . . . 73.11 110.572 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -83.71 130.39 5.1 Favored 'Trans proline' 0 N--CA 1.456 -0.716 0 C-N-CA 122.332 2.021 . . . . 63.45 112.123 178.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 438' ' ' PHE . . . . . 0.545 ' CE1' ' HB3' ' W' ' 430' ' ' ARG . 38.3 p90 -120.86 150.94 40.27 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.354 -0.61 . . . . 75.23 109.354 175.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -98.34 140.39 32.68 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.268 0.556 . . . . 74.43 111.568 -174.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 440' ' ' ILE . . . . . 0.647 HG12 HG23 ' W' ' 447' ' ' THR . 34.6 mt -119.71 123.09 70.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.595 -0.729 . . . . 74.42 109.726 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 441' ' ' ASP . . . . . 0.516 ' OD2' HG22 ' W' ' 444' ' ' THR . 15.4 t70 -94.82 121.26 36.24 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.112 0.482 . . . . 73.1 110.988 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -77.9 -16.3 58.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.78 -0.645 . . . . 74.34 111.369 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 51.6 m-80 -72.54 -57.5 4.11 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.179 0.437 . . . . 62.01 112.179 -175.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 444' ' ' THR . . . . . 0.516 HG22 ' OD2' ' W' ' 441' ' ' ASP . 15.0 t -103.9 10.13 36.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.882 0.372 . . . . 74.22 111.218 -177.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? 60.02 54.95 3.95 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 116.013 -0.539 . . . . 71.42 111.106 177.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 7.2 t -135.97 163.95 29.11 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.257 -0.577 . . . . 62.23 111.395 -178.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 447' ' ' THR . . . . . 0.647 HG23 HG12 ' W' ' 440' ' ' ILE . 7.5 m -128.54 140.8 51.61 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.282 -0.636 . . . . 51.31 109.282 177.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 9.6 t -151.48 166.87 29.78 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.28 0.562 . . . . 71.15 111.866 -178.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 93.6 m95 -99.35 -7.07 26.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.439 -0.801 . . . . 73.5 109.81 178.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -76.91 149.98 36.01 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.365 -0.834 . . . . 61.1 111.236 -177.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -98.85 112.41 62.75 Favored Pre-proline 0 C--N 1.318 -0.769 0 CA-C-N 115.265 -0.88 . . . . 74.3 110.373 -177.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -74.3 -7.06 19.27 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.826 2.351 . . . . 70.14 113.598 -177.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 453' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -83.26 -43.06 16.48 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 122.081 -0.387 . . . . 73.35 111.955 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 2.7 pp -89.81 -10.05 46.91 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.447 0.536 . . . . 62.14 112.447 -175.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 19.1 ptpt -145.74 165.8 27.72 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 110.124 -0.324 . . . . 55.13 110.124 178.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 456' ' ' ILE . . . . . 0.635 HD12 ' HD2' ' W' ' 457' ' ' PRO . 6.1 tp -94.06 125.28 53.35 Favored Pre-proline 0 C--N 1.324 -0.512 0 N-CA-C 109.641 -0.503 . . . . 72.41 109.641 178.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 457' ' ' PRO . . . . . 0.635 ' HD2' HD12 ' W' ' 456' ' ' ILE . 31.6 Cg_exo -60.0 172.05 2.59 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.98 2.454 . . . . 64.41 112.809 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.613 0 CA-C-N 115.594 -0.73 . . . . 54.25 110.627 -178.774 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 7.7 m . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.746 0.308 . . . . 71.11 111.086 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' P' P ' 639' ' ' ALA . . . . . . . . . . . . . . . -119.55 144.91 37.78 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 116.129 -0.487 . . . . 35.15 109.837 177.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.39 133.13 54.66 Favored 'Trans proline' 0 C--O 1.237 0.437 0 C-N-CA 122.613 2.208 . . . . 70.24 112.216 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 641' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -75.23 153.01 40.42 Favored 'Trans proline' 0 C--O 1.236 0.394 0 C-N-CA 122.796 2.331 . . . . 52.24 112.678 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 642' ' ' PRO . . . . . 0.608 ' HG2' ' HB3' ' P' ' 647' ' ' LEU . 59.4 Cg_endo -72.26 171.36 17.06 Favored 'Trans proline' 0 C--O 1.235 0.359 0 C-N-CA 122.771 2.314 . . . . 51.23 112.205 179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 643' ' ' ALA . . . . . 0.482 ' HB3' ' OG1' ' P' ' 646' ' ' THR . . . -68.81 156.6 38.09 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.209 -0.451 . . . . 73.55 110.484 178.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -58.63 -47.75 83.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.201 -0.454 . . . . 73.25 111.687 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -72.15 -19.52 61.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.278 0.561 . . . . 73.34 110.368 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' P' P ' 646' ' ' THR . . . . . 0.482 ' OG1' ' HB3' ' P' ' 643' ' ' ALA . 86.0 m -81.24 -40.41 23.83 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.364 -0.834 . . . . 71.44 111.185 -179.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 647' ' ' LEU . . . . . 0.608 ' HB3' ' HG2' ' P' ' 642' ' ' PRO . 4.5 pp -80.38 -20.99 42.79 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.282 -0.417 . . . . 72.34 111.167 -178.558 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.768 -0.73 . . . . 62.23 112.359 179.663 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.683 0 N-CA-C 111.666 -0.573 . . . . 63.41 111.666 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 23.1 m -114.72 149.24 37.14 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.019 0.438 . . . . 70.03 110.942 -179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 418' ' ' MET . . . . . . . . . . . . . 11.7 tpt -127.12 101.15 6.4 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 109.135 -0.691 . . . . 61.13 109.135 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 419' ' ' GLU . . . . . 0.421 ' HG2' ' H ' ' W' ' 419' ' ' GLU . 8.6 pt-20 -80.26 32.8 0.28 Allowed 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.646 0.61 . . . . 73.34 112.646 -175.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 12.5 tm0? -65.94 -64.15 0.92 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 108.84 -0.8 . . . . 61.21 108.84 176.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . 130.15 -51.79 0.85 Allowed Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.615 -0.803 . . . . 65.43 113.392 176.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 422' ' ' PHE . . . . . . . . . . . . . 28.4 p90 -125.96 -172.59 2.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.773 0.32 . . . . 62.5 111.255 -176.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 423' ' ' LEU . . . . . 0.517 HD13 ' HD3' ' W' ' 453' ' ' ARG . 2.9 mm? -92.74 151.15 40.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.164 -0.471 . . . . 61.43 110.225 -178.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 424' ' ' PRO . . . . . 0.473 ' HB2' ' CD1' ' W' ' 427' ' ' TRP . 35.8 Cg_exo -57.95 156.07 30.42 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.585 2.19 . . . . 74.41 111.008 177.054 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -76.35 108.52 9.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.248 0.546 . . . . 74.3 110.54 -176.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 130.1 -20.27 5.07 Favored Glycine 0 N--CA 1.444 -0.8 0 N-CA-C 111.005 -0.838 . . . . 72.14 111.005 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 427' ' ' TRP . . . . . 0.473 ' CD1' ' HB2' ' W' ' 424' ' ' PRO . 70.8 m95 -100.63 118.94 37.79 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.931 -0.396 . . . . 75.13 109.931 179.171 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -119.4 149.69 41.42 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.18 -0.674 . . . . 54.23 109.18 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 14.0 p -103.94 135.79 40.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-O 121.738 0.78 . . . . 63.43 111.889 -177.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 430' ' ' ARG . . . . . 0.583 ' HA ' ' HE ' ' W' ' 430' ' ' ARG . 0.6 OUTLIER -117.27 -156.13 0.62 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.856 -1.065 . . . . 72.53 110.427 -178.618 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 8.2 m80 -152.53 108.01 3.29 Favored 'General case' 0 CA--C 1.52 -0.183 0 O-C-N 122.1 -0.375 . . . . 72.25 110.592 -170.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -77.49 152.19 80.93 Favored Pre-proline 0 C--N 1.326 -0.438 0 N-CA-C 110.003 -0.369 . . . . 74.02 110.003 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -54.75 -25.29 41.83 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.966 2.444 . . . . 71.4 112.858 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 434' ' ' ASN . . . . . 0.666 HD21 ' N ' ' P' ' 638' ' ' THR . 3.2 m-20 -72.52 -4.49 30.87 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.391 -0.368 . . . . 74.43 111.698 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 84.49 23.0 52.47 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.784 -0.722 . . . . 75.24 111.583 -179.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 436' ' ' ARG . . . . . 0.546 ' HD3' ' HD2' ' W' ' 437' ' ' PRO . 0.4 OUTLIER -117.79 122.31 30.8 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.466 -0.568 . . . . 64.53 109.466 -178.099 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' W' W ' 437' ' ' PRO . . . . . 0.546 ' HD2' ' HD3' ' W' ' 436' ' ' ARG . 3.7 Cg_exo -75.48 142.12 26.07 Favored 'Trans proline' 0 N--CA 1.462 -0.343 0 C-N-CA 122.86 2.374 . . . . 42.35 111.978 178.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 438' ' ' PHE . . . . . 0.567 ' CE1' HD11 ' W' ' 440' ' ' ILE . 51.7 p90 -133.1 155.8 48.58 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.956 -0.387 . . . . 44.43 109.956 176.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -99.71 143.56 29.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.254 0.55 . . . . 62.24 111.273 -177.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 440' ' ' ILE . . . . . 0.609 HG13 HG22 ' W' ' 447' ' ' THR . 3.6 mp -120.04 127.53 75.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.387 -0.824 . . . . 53.12 110.423 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 441' ' ' ASP . . . . . 0.493 ' OD2' HG22 ' W' ' 444' ' ' THR . 19.9 t70 -91.53 112.33 24.2 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.193 -0.912 . . . . 73.23 109.565 177.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 81.8 m-70 -79.85 -6.3 57.12 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.84 -0.618 . . . . 71.34 111.194 -178.61 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -76.24 -57.13 4.05 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 64.22 111.304 -177.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 444' ' ' THR . . . . . 0.493 HG22 ' OD2' ' W' ' 441' ' ' ASP . 14.0 t -109.29 5.35 23.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.572 0.225 . . . . 65.12 111.415 -179.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp 66.62 66.47 0.45 Allowed 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.085 -0.507 . . . . 70.24 111.948 176.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 15.2 t -141.95 154.92 45.41 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.86 0.362 . . . . 74.44 111.285 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 447' ' ' THR . . . . . 0.609 HG22 HG13 ' W' ' 440' ' ' ILE . 68.4 p -112.16 141.27 46.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.006 -0.543 . . . . 72.23 109.881 179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 14.8 t -148.93 163.8 36.41 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.165 0.507 . . . . 70.24 111.588 179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 449' ' ' TRP . . . . . 0.755 ' HZ2' ' HD3' ' P' ' 641' ' ' PRO . 82.9 m95 -105.33 -4.93 20.96 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.638 -0.71 . . . . 74.14 110.798 -178.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -86.53 155.08 20.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.806 -0.634 . . . . 70.31 110.786 -175.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 451' ' ' ASP . . . . . 0.49 ' HB3' ' HG ' ' W' ' 454' ' ' LEU . 11.1 t0 -98.19 116.45 65.57 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 109.204 -0.665 . . . . 71.52 109.204 -179.449 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.27 -14.19 37.21 Favored 'Trans proline' 0 CA--C 1.53 0.302 0 C-N-CA 122.61 2.206 . . . . 74.55 114.14 -177.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 453' ' ' ARG . . . . . 0.517 ' HD3' HD13 ' W' ' 423' ' ' LEU . 82.8 mtm180 -80.86 -38.95 27.26 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.145 0.424 . . . . 71.44 112.145 -178.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 454' ' ' LEU . . . . . 0.49 ' HG ' ' HB3' ' W' ' 451' ' ' ASP . 3.7 pp -79.07 -3.71 46.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.222 0.534 . . . . 61.42 111.165 -178.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 455' ' ' LYS . . . . . 0.421 ' HG3' HD12 ' W' ' 454' ' ' LEU . 51.0 mtpt -103.09 138.33 40.08 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 108.862 -0.792 . . . . 44.13 108.862 175.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 456' ' ' ILE . . . . . . . . . . . . . 3.6 mp -115.86 103.6 53.43 Favored Pre-proline 0 C--N 1.32 -0.716 0 CA-C-O 121.176 0.512 . . . . 73.31 110.1 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 457' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -73.39 119.16 5.83 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.812 2.341 . . . . 71.11 110.529 177.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.552 0 N-CA-C 110.194 -0.299 . . . . 51.4 110.194 -177.302 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' P' P ' 638' ' ' THR . . . . . 0.666 ' N ' HD21 ' W' ' 434' ' ' ASN . 14.3 p . . . . . 0 N--CA 1.455 -0.205 0 CA-C-O 120.993 0.425 . . . . 73.2 111.175 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 639' ' ' ALA . . . . . . . . . . . . . . . -123.86 112.78 28.71 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.214 -0.448 . . . . 73.13 110.968 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -67.16 169.53 15.02 Favored 'Trans proline' 0 CA--C 1.531 0.364 0 C-N-CA 123.003 2.469 . . . . 65.13 111.725 178.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 641' ' ' PRO . . . . . 0.755 ' HD3' ' HZ2' ' W' ' 449' ' ' TRP . 36.5 Cg_endo -64.98 130.76 26.73 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.204 1.936 . . . . 52.24 111.741 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 642' ' ' PRO . . . . . 0.441 ' HD2' ' HZ ' ' W' ' 438' ' ' PHE . 23.9 Cg_exo -63.93 169.68 10.0 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 123.36 2.707 . . . . 54.11 113.425 -178.204 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -74.05 157.1 36.7 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.611 -0.722 . . . . 62.4 110.769 178.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 68.1 t80 -55.78 -42.66 75.86 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.923 -0.581 . . . . 63.5 112.112 -176.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -67.37 -24.1 65.66 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.929 0.714 . . . . 51.43 112.929 -176.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 13.1 t -102.93 -17.06 15.66 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.393 -0.523 . . . . 70.24 112.216 -177.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 647' ' ' LEU . . . . . . . . . . . . . 3.9 pp -90.65 -5.21 56.11 Favored 'General case' 0 N--CA 1.463 0.221 0 O-C-N 121.929 -0.482 . . . . 63.21 111.358 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.237 0.295 0 C-N-CA 120.841 -0.695 . . . . 72.43 112.545 179.955 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.805 0 N-CA-C 112.052 -0.419 . . . . 52.15 112.052 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 53.7 m -79.06 95.6 5.58 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.061 0.458 . . . . 52.44 110.363 179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 418' ' ' MET . . . . . 0.455 ' H ' ' HG3' ' W' ' 418' ' ' MET . 0.4 OUTLIER -65.01 -40.96 95.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.654 -0.703 . . . . 70.21 110.43 178.458 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' W' W ' 419' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 51.33 65.46 1.48 Allowed 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.528 -0.76 . . . . 72.11 111.723 175.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 25.6 pt20 -160.88 153.17 20.32 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.318 -0.401 . . . . 73.32 110.278 178.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . -116.01 32.15 5.76 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.532 -0.842 . . . . 62.1 112.427 179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 422' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -117.79 115.95 26.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.305 0.574 . . . . 74.22 110.01 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 423' ' ' LEU . . . . . 0.554 ' HB3' ' HB2' ' W' ' 427' ' ' TRP . 2.8 mm? -107.79 163.38 17.08 Favored Pre-proline 0 C--N 1.318 -0.789 0 CA-C-N 115.351 -0.84 . . . . 72.12 111.157 -177.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.96 164.91 11.19 Favored 'Trans proline' 0 C--N 1.35 0.65 0 C-N-CA 122.867 2.378 . . . . 74.14 111.864 177.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -58.27 106.98 0.43 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.736 0.779 . . . . 74.21 112.185 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 111.68 -3.7 27.64 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.489 -0.778 . . . . 75.21 111.709 175.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 427' ' ' TRP . . . . . 0.554 ' HB2' ' HB3' ' W' ' 423' ' ' LEU . 46.0 m95 -101.78 123.5 45.84 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.838 -0.43 . . . . 65.23 109.838 178.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -114.49 155.49 26.31 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.373 -0.376 . . . . 74.32 109.99 -179.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 5.8 p -107.19 133.46 51.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.563 0.697 . . . . 74.14 110.618 179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 430' ' ' ARG . . . . . 0.431 ' HD2' ' HA ' ' W' ' 430' ' ' ARG . 0.9 OUTLIER -114.29 -155.06 0.56 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.378 -0.828 . . . . 64.15 111.508 -176.614 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -152.68 108.42 3.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.952 -0.567 . . . . 73.34 109.857 -172.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -87.51 150.31 48.48 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.23 -0.441 . . . . 65.52 110.393 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_endo -52.67 -31.62 51.07 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 123.3 2.667 . . . . 65.42 113.488 -178.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -68.38 -14.44 63.0 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 111.882 0.327 . . . . 70.3 111.882 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 99.49 22.97 11.58 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.61 -0.805 . . . . 61.42 112.469 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 436' ' ' ARG . . . . . 0.443 ' HA ' ' HD3' ' W' ' 437' ' ' PRO . 26.8 mmm180 -114.82 133.29 22.62 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-O 120.563 0.22 . . . . 74.55 110.484 179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 437' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' W' ' 436' ' ' ARG . 5.2 Cg_endo -84.97 98.88 0.69 Allowed 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.762 2.308 . . . . 72.11 111.985 178.318 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 53.6 p90 -88.84 143.18 27.06 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 110.045 -0.354 . . . . 72.14 110.045 179.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -90.39 152.05 21.16 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.155 -0.475 . . . . 74.32 110.95 -178.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 440' ' ' ILE . . . . . 0.798 HG12 HG22 ' W' ' 447' ' ' THR . 47.1 mt -127.08 124.04 63.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.752 -0.658 . . . . 53.11 110.769 -178.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 441' ' ' ASP . . . . . 0.467 ' HB3' HG22 ' W' ' 446' ' ' THR . 8.7 t70 -90.91 116.59 28.85 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.018 -0.537 . . . . 74.55 109.988 178.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -76.06 -13.12 60.22 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.403 -0.362 . . . . 73.21 111.923 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -69.59 -56.53 7.06 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.758 0.281 . . . . 64.01 111.758 -177.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 444' ' ' THR . . . . . 0.45 HG22 ' OD2' ' W' ' 441' ' ' ASP . 14.2 t -111.51 6.69 20.33 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.954 0.407 . . . . 72.42 110.735 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 445' ' ' LYS . . . . . 0.454 ' HE2' ' HB2' ' W' ' 445' ' ' LYS . 3.7 mppt? 57.43 64.66 1.53 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 115.463 -0.789 . . . . 74.3 111.309 -179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 446' ' ' THR . . . . . 0.467 HG22 ' HB3' ' W' ' 441' ' ' ASP . 14.6 t -129.88 150.22 51.26 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.938 -0.573 . . . . 74.02 109.93 178.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 447' ' ' THR . . . . . 0.798 HG22 HG12 ' W' ' 440' ' ' ILE . 8.1 p -110.45 140.72 44.43 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.555 -0.293 . . . . 75.43 110.315 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 11.3 t -136.8 142.73 42.94 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.412 0.625 . . . . 63.31 111.626 -178.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 20.6 m95 -96.98 -7.4 33.16 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.494 -0.775 . . . . 74.53 109.254 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -90.46 154.47 19.62 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.237 -1.347 . . . . 73.03 109.67 -179.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 451' ' ' ASP . . . . . 0.427 ' CG ' ' HG2' ' W' ' 418' ' ' MET . 21.3 t70 -91.86 124.62 59.81 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 120.836 0.351 . . . . 64.51 111.154 -178.396 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 91.1 Cg_endo -84.04 -7.6 10.17 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.784 2.323 . . . . 53.32 113.502 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 453' ' ' ARG . . . . . . . . . . . . . 11.0 mmm180 -77.74 -48.73 15.93 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.604 0.594 . . . . 72.14 112.604 179.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 4.5 pp -77.99 -14.9 59.36 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.06 0.393 . . . . 61.02 112.06 -176.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -147.34 143.51 28.08 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.465 -0.569 . . . . 72.4 109.465 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 456' ' ' ILE . . . . . . . . . . . . . 4.3 mp -129.97 115.92 17.86 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 109.66 -0.496 . . . . 73.01 109.66 -176.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 457' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -67.76 138.71 45.77 Favored 'Trans proline' 0 N--CA 1.464 -0.244 0 C-N-CA 122.396 2.064 . . . . 70.52 111.61 178.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 116.594 -0.276 . . . . 70.04 110.515 -178.743 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 12.0 m . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 121.053 0.454 . . . . 73.11 110.797 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' P' P ' 639' ' ' ALA . . . . . . . . . . . . . . . -120.22 139.39 28.43 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-N 115.965 -0.561 . . . . 65.44 109.49 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 640' ' ' PRO . . . . . 0.448 ' HA ' ' HD3' ' P' ' 641' ' ' PRO . 15.5 Cg_endo -57.82 132.56 50.61 Favored 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 122.3 2.0 . . . . 74.25 111.884 -179.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 641' ' ' PRO . . . . . 0.516 ' HA ' ' HD3' ' P' ' 642' ' ' PRO . 72.7 Cg_endo -87.07 152.46 8.28 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 122.847 2.364 . . . . 74.24 112.329 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 642' ' ' PRO . . . . . 0.516 ' HD3' ' HA ' ' P' ' 641' ' ' PRO . 12.6 Cg_exo -71.33 167.54 25.97 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 123.187 2.591 . . . . 73.04 112.401 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -76.2 171.56 14.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.117 -0.492 . . . . 64.34 111.41 179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -63.49 -47.36 82.05 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.689 -0.687 . . . . 74.13 111.675 -176.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -71.84 -17.05 62.17 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.381 0.61 . . . . 70.05 110.323 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 42.1 m -78.38 -33.26 48.98 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.299 -0.864 . . . . 74.01 110.345 178.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 647' ' ' LEU . . . . . . . . . . . . . 4.3 pp -97.62 -17.55 19.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.942 -0.572 . . . . 70.01 111.627 -177.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.756 -0.735 . . . . 70.5 112.582 179.34 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.569 0 N-CA-C 111.795 -0.522 . . . . 74.31 111.795 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 19.3 m -88.92 158.67 17.99 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 120.963 0.411 . . . . 73.01 110.561 -178.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 418' ' ' MET . . . . . 0.927 ' HB3' ' HB3' ' W' ' 453' ' ' ARG . 2.0 mpt? -79.91 76.94 6.6 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.043 -0.526 . . . . 72.24 109.774 179.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 419' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -90.19 -171.44 3.12 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.75 -0.659 . . . . 74.11 111.936 -177.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -86.68 61.98 7.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.55 0.69 . . . . 74.02 110.191 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . -168.31 -14.68 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.499 0 CA-C-N 115.433 -0.803 . . . . 71.24 112.085 -178.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 422' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -113.57 57.54 0.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.193 -0.669 . . . . 75.34 109.193 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -71.43 156.26 91.75 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.287 -0.87 . . . . 72.21 111.241 -178.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 25.2 Cg_exo -63.39 155.74 60.39 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.425 2.083 . . . . 75.32 110.633 175.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 425' ' ' LYS . . . . . 0.407 ' HD2' ' HA ' ' W' ' 425' ' ' LYS . 24.5 tptp -66.94 107.91 2.4 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.011 0.434 . . . . 71.24 110.782 -175.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 126.9 -10.44 7.05 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.838 -0.696 . . . . 44.53 111.939 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 427' ' ' TRP . . . . . . . . . . . . . 48.3 m95 -85.85 170.82 12.03 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.116 0.484 . . . . 63.12 111.567 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 428' ' ' GLU . . . . . 0.664 ' HB3' ' HB ' ' W' ' 440' ' ' ILE . 11.0 tp10 -148.52 140.37 23.79 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.343 -0.984 . . . . 74.25 108.343 -175.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 64.6 t -103.19 135.55 40.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 109.129 -0.693 . . . . 73.23 109.129 177.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 430' ' ' ARG . . . . . 0.476 ' HA ' ' NE ' ' W' ' 430' ' ' ARG . 0.2 OUTLIER -127.93 -161.33 1.08 Allowed 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.837 -0.345 . . . . 74.43 110.379 -179.056 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' W' W ' 431' ' ' HIS . . . . . 0.432 ' HA ' ' HA ' ' W' ' 437' ' ' PRO . 42.7 m80 -155.97 131.52 9.61 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.171 -0.307 . . . . 72.13 110.171 -170.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -94.95 150.07 37.22 Favored Pre-proline 0 C--N 1.318 -0.79 0 N-CA-C 108.705 -0.85 . . . . 71.15 108.705 174.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -57.47 -16.43 23.48 Favored 'Trans proline' 0 N--CA 1.473 0.323 0 C-N-CA 122.96 2.44 . . . . 75.24 112.774 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -82.18 -9.16 59.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 71.43 111.181 179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 105.57 -16.74 44.0 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.813 -0.708 . . . . 65.11 112.862 178.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 436' ' ' ARG . . . . . 0.498 ' HA ' ' HD3' ' W' ' 437' ' ' PRO . 18.9 mmm180 -82.88 122.88 78.28 Favored Pre-proline 0 C--N 1.32 -0.68 0 CA-C-O 120.843 0.354 . . . . 44.24 111.292 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 437' ' ' PRO . . . . . 0.498 ' HD3' ' HA ' ' W' ' 436' ' ' ARG . 3.6 Cg_exo -81.12 141.05 12.77 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 123.255 2.637 . . . . 71.21 112.027 178.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 49.4 p90 -124.82 162.05 25.16 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.887 -0.412 . . . . 72.32 109.887 177.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 71.9 m-85 -105.39 146.94 28.77 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.18 -0.463 . . . . 73.32 111.335 -175.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 440' ' ' ILE . . . . . 0.889 HG12 HG22 ' W' ' 447' ' ' THR . 49.1 mt -127.21 146.87 32.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.401 -0.818 . . . . 73.43 109.949 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 441' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -114.88 124.24 51.22 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 110.211 -0.292 . . . . 72.41 110.211 177.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 442' ' ' HIS . . . . . 0.55 ' NE2' ' HB2' ' W' ' 428' ' ' GLU . 57.4 m170 -72.8 -21.89 60.91 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.288 0.477 . . . . 75.22 112.288 -178.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -72.02 -58.11 3.72 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.244 0.461 . . . . 70.05 112.244 -173.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 444' ' ' THR . . . . . . . . . . . . . 14.9 t -101.57 -4.67 26.25 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 121.126 -0.23 . . . . 72.11 111.186 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm 65.29 64.63 0.6 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.967 -0.56 . . . . 73.34 111.172 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 15.1 t -132.47 156.96 45.81 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.259 -0.428 . . . . 64.11 110.913 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 447' ' ' THR . . . . . 0.889 HG22 HG12 ' W' ' 440' ' ' ILE . 32.1 p -120.92 145.28 47.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.999 -0.546 . . . . 63.24 109.781 178.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 9.9 t -146.94 154.16 40.95 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.238 0.542 . . . . 73.11 111.949 -178.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -99.57 -7.98 25.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.293 -0.867 . . . . 75.52 109.44 176.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -86.2 146.88 26.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.381 -0.827 . . . . 72.45 109.365 -177.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -85.55 118.66 71.1 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.503 -0.317 . . . . 71.43 110.376 -175.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -72.93 -12.3 26.03 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.795 2.33 . . . . 51.04 113.418 -177.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 453' ' ' ARG . . . . . 0.927 ' HB3' ' HB3' ' W' ' 418' ' ' MET . 4.7 mmp_? -92.33 -36.03 13.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 121.998 -0.439 . . . . 74.43 111.728 177.321 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 91.0 mt -79.4 -29.27 41.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.442 0.639 . . . . 71.32 109.861 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -106.72 127.77 53.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.193 -0.912 . . . . 74.11 108.79 177.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 456' ' ' ILE . . . . . 0.468 ' HA ' ' HD3' ' W' ' 457' ' ' PRO . 23.1 pt -145.98 146.81 29.85 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 120.52 0.2 . . . . 75.25 110.489 -173.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 457' ' ' PRO . . . . . 0.468 ' HD3' ' HA ' ' W' ' 456' ' ' ILE . 7.5 Cg_exo -73.72 123.94 8.89 Favored 'Trans proline' 0 N--CA 1.461 -0.426 0 C-N-CA 122.832 2.355 . . . . 73.54 111.513 178.009 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.614 0 CA-C-N 116.502 -0.317 . . . . 72.15 110.868 -178.94 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 25.0 m . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.782 0.325 . . . . 75.22 110.518 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' P' P ' 639' ' ' ALA . . . . . . . . . . . . . . . -100.7 138.22 20.04 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.171 -0.468 . . . . 62.23 111.053 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.95 146.77 92.72 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.859 2.373 . . . . 64.12 112.343 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 641' ' ' PRO . . . . . 0.438 ' HA ' ' HD2' ' P' ' 642' ' ' PRO . 53.9 Cg_endo -72.66 127.52 12.48 Favored 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.285 1.99 . . . . 74.42 112.277 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 642' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' P' ' 641' ' ' PRO . 26.6 Cg_endo -61.89 153.42 68.42 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.692 2.261 . . . . 70.33 111.997 179.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 643' ' ' ALA . . . . . 0.546 ' O ' HG22 ' P' ' 646' ' ' THR . . . -64.98 143.23 58.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.173 -0.467 . . . . 61.4 111.208 -179.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -63.2 -29.67 70.97 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.251 -0.432 . . . . 73.34 110.646 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -71.79 -12.78 61.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.959 -0.564 . . . . 63.23 112.477 -178.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' P' P ' 646' ' ' THR . . . . . 0.546 HG22 ' O ' ' P' ' 643' ' ' ALA . 14.4 t -108.77 -12.85 14.87 Favored 'General case' 0 C--O 1.235 0.301 0 C-N-CA 120.479 -0.488 . . . . 75.32 111.18 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 647' ' ' LEU . . . . . 0.465 HD22 ' HG2' ' W' ' 430' ' ' ARG . 4.5 pp -104.49 -17.94 14.56 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.992 0.425 . . . . 70.3 110.894 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.422 0 C-N-CA 121.039 -0.601 . . . . 71.05 111.961 179.283 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.921 0 N-CA-C 112.115 -0.394 . . . . 75.03 112.115 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 14.8 m 58.31 27.83 15.83 Favored 'General case' 0 CA--C 1.533 0.304 0 C-N-CA 122.717 0.407 . . . . 71.23 111.598 178.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 418' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 63.81 23.71 13.51 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 116.112 -0.495 . . . . 70.41 112.176 -179.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 419' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -89.46 8.53 30.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 122.209 1.004 . . . . 75.41 108.627 177.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -112.79 118.15 34.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.497 -1.229 . . . . 74.55 109.139 179.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . -67.56 81.42 0.16 Allowed Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 121.318 -0.467 . . . . 71.23 113.208 -179.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 422' ' ' PHE . . . . . 0.617 ' O ' ' HD2' ' W' ' 453' ' ' ARG . 67.6 t80 -115.6 111.52 20.79 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.863 -0.792 . . . . 74.31 108.863 176.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 423' ' ' LEU . . . . . 0.586 ' HB3' ' HB2' ' W' ' 427' ' ' TRP . 3.1 mm? -125.84 156.66 71.01 Favored Pre-proline 0 C--N 1.32 -0.691 0 CA-C-N 116.208 -0.451 . . . . 64.42 111.428 -176.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_exo -64.6 173.24 5.71 Favored 'Trans proline' 0 C--N 1.349 0.582 0 C-N-CA 122.943 2.428 . . . . 70.2 111.291 176.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -71.61 109.85 5.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.326 0.584 . . . . 74.33 110.291 -176.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 122.63 -30.79 5.02 Favored Glycine 0 N--CA 1.441 -0.993 0 CA-C-N 115.559 -0.746 . . . . 73.45 111.238 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 427' ' ' TRP . . . . . 0.586 ' HB2' ' HB3' ' W' ' 423' ' ' LEU . 70.7 m95 -81.82 170.76 15.31 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 120.58 0.228 . . . . 55.33 110.606 179.132 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 428' ' ' GLU . . . . . 0.559 ' HB3' ' HB ' ' W' ' 440' ' ' ILE . 12.2 tp10 -155.41 164.57 38.55 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.209 -1.034 . . . . 70.5 108.209 -175.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 429' ' ' VAL . . . . . 0.449 ' HB ' HD21 ' W' ' 423' ' ' LEU . 13.6 p -125.98 138.92 53.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 118.378 0.535 . . . . 73.22 110.805 175.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 430' ' ' ARG . . . . . 0.516 ' HG3' ' H ' ' W' ' 431' ' ' HIS . 12.4 tpt180 -120.83 -159.68 0.81 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.703 -0.851 . . . . 75.54 108.703 -179.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 431' ' ' HIS . . . . . 0.516 ' H ' ' HG3' ' W' ' 430' ' ' ARG . 29.9 m80 -154.16 115.14 4.04 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.563 -0.532 . . . . 62.23 109.563 -173.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -79.58 149.13 71.04 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 109.909 -0.404 . . . . 61.43 109.909 178.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.53 -28.6 46.03 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 123.17 2.58 . . . . 65.53 112.763 -179.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -70.35 -8.35 49.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.965 -0.561 . . . . 65.13 111.812 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 92.37 24.81 23.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.166 -1.016 . . . . 70.31 111.292 -178.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 436' ' ' ARG . . . . . . . . . . . . . 22.0 tpt180 -117.53 114.68 37.97 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.527 -0.337 . . . . 61.03 110.222 -176.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.14 112.66 3.58 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.296 1.997 . . . . 53.33 112.532 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 54.9 p90 -106.21 147.6 28.89 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.112 -0.699 . . . . 65.43 109.112 176.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 439' ' ' PHE . . . . . 0.511 ' HB2' HG23 ' W' ' 448' ' ' THR . 45.2 m-85 -89.56 158.81 17.5 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-O 121.445 0.64 . . . . 72.41 111.653 -176.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 440' ' ' ILE . . . . . 0.804 HG12 HG22 ' W' ' 447' ' ' THR . 35.5 mt -129.58 152.54 37.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.191 -0.913 . . . . 71.12 108.801 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 441' ' ' ASP . . . . . 0.613 ' OD2' HG22 ' W' ' 444' ' ' THR . 25.4 t70 -117.15 126.38 52.71 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 121.083 -0.247 . . . . 73.22 110.564 176.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 55.9 m-70 -78.59 -22.99 46.26 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.795 -0.184 . . . . 65.05 111.007 179.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -66.8 -57.89 6.16 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.674 0.273 . . . . 52.21 111.017 -175.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 444' ' ' THR . . . . . 0.732 HG23 HG22 ' W' ' 446' ' ' THR . 9.0 t -95.48 -6.11 41.41 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.003 0.43 . . . . 75.21 110.136 178.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm 66.1 29.83 9.74 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 113.233 0.827 . . . . 61.02 113.233 174.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 446' ' ' THR . . . . . 0.732 HG22 HG23 ' W' ' 444' ' ' THR . 11.8 t -115.62 -178.86 3.49 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.674 -0.491 . . . . 61.02 109.674 177.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 447' ' ' THR . . . . . 0.804 HG22 HG12 ' W' ' 440' ' ' ILE . 3.0 p -109.32 153.68 23.57 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.931 -0.396 . . . . 62.3 109.931 178.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 448' ' ' THR . . . . . 0.511 HG23 ' HB2' ' W' ' 439' ' ' PHE . 8.4 t -133.71 134.34 42.92 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.986 0.422 . . . . 72.0 111.135 -176.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 449' ' ' TRP . . . . . 0.414 ' HE1' ' HD3' ' P' ' 641' ' ' PRO . 49.9 m95 -94.09 -15.89 24.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.323 -0.399 . . . . 72.33 110.621 178.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -88.95 154.22 20.4 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.329 0.585 . . . . 74.34 110.339 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -86.33 120.89 72.51 Favored Pre-proline 0 C--N 1.316 -0.861 0 CA-C-N 115.219 -0.901 . . . . 74.44 112.55 -173.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 452' ' ' PRO . . . . . 0.495 ' HG2' HD12 ' W' ' 423' ' ' LEU . 97.3 Cg_endo -93.55 21.34 0.63 Allowed 'Trans proline' 0 C--N 1.349 0.561 0 C-N-CA 123.711 2.941 . . . . 72.12 112.5 177.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 453' ' ' ARG . . . . . 0.794 ' NE ' ' HA ' ' W' ' 453' ' ' ARG . 2.5 mmp_? -101.01 -47.72 4.67 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.255 -0.884 . . . . 74.23 110.815 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 85.4 mt -85.77 5.55 31.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.104 -0.953 . . . . 74.23 110.49 179.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -118.47 133.33 55.96 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.202 -0.666 . . . . 52.22 109.202 179.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 456' ' ' ILE . . . . . . . . . . . . . 7.7 tt -121.26 109.67 34.93 Favored Pre-proline 0 C--N 1.319 -0.739 0 CA-C-O 121.144 0.497 . . . . 73.44 110.886 178.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 457' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -65.04 107.88 1.02 Allowed 'Trans proline' 0 C--O 1.236 0.385 0 C-N-CA 122.778 2.319 . . . . 72.43 111.696 178.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 115.853 -0.612 . . . . 64.23 110.838 -179.82 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 22.6 m . . . . . 0 N--CA 1.454 -0.232 0 CA-C-O 120.924 0.392 . . . . 73.35 111.113 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' P' P ' 639' ' ' ALA . . . . . 0.427 ' HA ' ' HD3' ' P' ' 640' ' ' PRO . . . -116.43 133.62 22.96 Favored Pre-proline 0 C--N 1.325 -0.476 0 CA-C-N 116.16 -0.473 . . . . 64.24 110.483 178.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 640' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' P' ' 639' ' ' ALA . 16.5 Cg_exo -68.09 133.92 30.21 Favored 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 122.479 2.12 . . . . 43.31 111.522 178.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 641' ' ' PRO . . . . . 0.453 ' HA ' ' HD3' ' P' ' 642' ' ' PRO . 69.2 Cg_endo -76.33 138.72 20.23 Favored 'Trans proline' 0 N--CA 1.457 -0.644 0 C-N-CA 122.345 2.03 . . . . 72.34 111.715 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 642' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' P' ' 641' ' ' PRO . 34.6 Cg_exo -61.31 154.53 57.74 Favored 'Trans proline' 0 CA--C 1.527 0.149 0 C-N-CA 122.807 2.338 . . . . 74.24 112.224 -179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 643' ' ' ALA . . . . . 0.47 ' O ' ' HG ' ' P' ' 647' ' ' LEU . . . -80.9 164.16 22.83 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.465 -0.334 . . . . 53.1 110.463 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -65.26 -15.61 62.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 74.51 111.376 -177.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -71.75 -34.34 69.41 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.468 -0.333 . . . . 73.11 111.665 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 14.5 t -94.73 -26.68 16.18 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.882 -0.327 . . . . 70.14 111.665 -177.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' P' P ' 647' ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' P' ' 643' ' ' ALA . 4.2 pp -101.4 7.06 42.79 Favored 'General case' 0 C--N 1.332 -0.175 0 O-C-N 122.025 -0.422 . . . . 74.34 111.399 -179.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.409 0 C-N-CA 120.648 -0.787 . . . . 63.42 112.496 -179.64 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.669 0 N-CA-C 111.944 -0.462 . . . . 52.45 111.944 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 70.3 m -96.91 59.04 1.66 Allowed 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.278 0.561 . . . . 43.23 110.26 179.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 418' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -80.68 75.63 7.58 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.698 0.761 . . . . 64.55 111.229 -177.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 419' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -113.05 -74.94 0.61 Allowed 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 107.712 -1.218 . . . . 72.44 107.712 175.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -154.58 138.72 16.5 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.761 -0.829 . . . . 64.23 108.761 172.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . -168.12 -109.6 0.22 Allowed Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.536 -0.84 . . . . 63.05 111.934 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 422' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -109.06 97.29 6.94 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.503 -0.554 . . . . 73.55 109.503 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -95.25 151.56 38.8 Favored Pre-proline 0 C--N 1.32 -0.695 0 CA-C-N 115.78 -0.646 . . . . 74.45 110.108 -178.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 424' ' ' PRO . . . . . 0.49 ' HG2' ' CD1' ' W' ' 427' ' ' TRP . 12.6 Cg_endo -58.0 161.69 12.74 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.601 2.201 . . . . 54.24 111.049 176.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -77.17 117.23 18.5 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.302 -0.559 . . . . 52.31 110.115 -175.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 124.62 -27.89 5.36 Favored Glycine 0 N--CA 1.442 -0.921 0 CA-C-N 115.276 -0.874 . . . . 65.44 110.953 -177.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 427' ' ' TRP . . . . . 0.519 ' HA ' ' O ' ' W' ' 440' ' ' ILE . 65.1 m95 -97.0 116.59 29.48 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.788 -0.449 . . . . 71.35 109.788 178.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -114.47 153.95 29.04 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.853 -0.339 . . . . 70.13 110.354 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 57.7 t -93.52 125.09 46.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.187 -0.461 . . . . 50.4 110.722 -178.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 430' ' ' ARG . . . . . 0.509 ' HG3' ' H ' ' W' ' 431' ' ' HIS . 11.5 tpt180 -109.42 -158.21 0.64 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.508 -0.315 . . . . 72.51 110.246 179.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 431' ' ' HIS . . . . . 0.509 ' H ' ' HG3' ' W' ' 430' ' ' ARG . 3.5 m80 -153.07 121.08 6.13 Favored 'General case' 0 C--N 1.331 -0.216 0 O-C-N 122.197 -0.314 . . . . 74.13 111.327 -171.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -97.5 159.08 31.97 Favored Pre-proline 0 C--N 1.323 -0.574 0 N-CA-C 109.292 -0.633 . . . . 63.02 109.292 175.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -54.86 -26.65 49.36 Favored 'Trans proline' 0 C--N 1.348 0.529 0 C-N-CA 122.751 2.301 . . . . 73.45 113.003 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -75.22 -8.82 57.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.365 -0.38 . . . . 71.31 111.494 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 90.22 9.21 65.61 Favored Glycine 0 N--CA 1.448 -0.534 0 N-CA-C 110.681 -0.968 . . . . 52.05 110.681 -176.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 436' ' ' ARG . . . . . 0.476 ' HA ' ' HD3' ' W' ' 437' ' ' PRO . 15.7 mmm180 -90.0 119.03 69.36 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 114.846 -0.677 . . . . 72.21 110.798 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 437' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' W' ' 436' ' ' ARG . 3.3 Cg_exo -81.49 116.63 2.97 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 122.981 2.454 . . . . 64.12 112.165 178.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 438' ' ' PHE . . . . . 0.47 ' HB3' ' CZ3' ' W' ' 449' ' ' TRP . 53.6 p90 -99.64 158.15 15.97 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.502 -0.479 . . . . 61.2 109.882 176.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -98.05 132.85 43.24 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.554 0.692 . . . . 63.43 111.64 -175.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 440' ' ' ILE . . . . . 0.531 HG12 HG22 ' W' ' 447' ' ' THR . 55.9 mt -105.84 121.92 58.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 114.86 -1.064 . . . . 63.44 109.987 178.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 441' ' ' ASP . . . . . 0.501 ' OD2' HG22 ' W' ' 444' ' ' THR . 11.9 t70 -97.53 117.74 32.48 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.975 0.417 . . . . 74.35 110.896 -179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -79.78 -23.05 42.44 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.084 -0.507 . . . . 73.01 111.381 178.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 -58.31 -57.26 13.67 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.298 -0.41 . . . . 75.2 111.564 -175.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 444' ' ' THR . . . . . 0.501 HG22 ' OD2' ' W' ' 441' ' ' ASP . 9.0 t -106.97 -1.57 22.09 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.066 0.46 . . . . 61.43 110.07 178.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 27.2 mtmm 64.04 65.94 0.67 Allowed 'General case' 0 C--O 1.235 0.294 0 CA-C-N 115.549 -0.75 . . . . 51.44 111.576 178.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 6.2 t -141.96 168.57 19.44 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.982 -1.008 . . . . 55.25 109.708 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 447' ' ' THR . . . . . 0.531 HG22 HG12 ' W' ' 440' ' ' ILE . 6.7 p -123.85 138.39 54.5 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 110.393 -0.225 . . . . 73.5 110.393 178.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 13.4 t -143.47 164.43 30.36 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.402 -0.519 . . . . 73.03 111.924 -177.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 449' ' ' TRP . . . . . 0.47 ' CZ3' ' HB3' ' W' ' 438' ' ' PHE . 95.9 m95 -102.87 -9.25 20.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.575 -0.739 . . . . 70.43 111.26 179.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -82.65 147.06 28.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.915 0.388 . . . . 54.31 110.411 -178.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 451' ' ' ASP . . . . . 0.57 ' O ' ' HG2' ' W' ' 455' ' ' LYS . 5.6 t70 -90.8 119.95 68.87 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.685 -0.689 . . . . 72.14 112.196 -176.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -84.22 28.13 0.58 Allowed 'Trans proline' 0 CA--C 1.532 0.402 0 C-N-CA 122.996 2.464 . . . . 72.31 112.122 178.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 453' ' ' ARG . . . . . 0.785 ' HA ' ' NE ' ' W' ' 453' ' ' ARG . 4.1 mmp_? -105.4 -54.18 2.53 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.56 -0.746 . . . . 75.42 110.88 -179.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 454' ' ' LEU . . . . . 0.488 ' HG ' ' OD2' ' W' ' 451' ' ' ASP . 3.9 pp -93.12 -24.86 18.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.566 -0.743 . . . . 75.53 112.098 -178.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 455' ' ' LYS . . . . . 0.57 ' HG2' ' O ' ' W' ' 451' ' ' ASP . 19.9 ptmt -116.87 153.14 33.04 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.606 -0.438 . . . . 54.21 110.186 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 456' ' ' ILE . . . . . . . . . . . . . 54.1 mt -79.13 120.36 80.43 Favored Pre-proline 0 C--N 1.319 -0.754 0 CA-C-N 115.808 -0.633 . . . . 75.41 109.88 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 457' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.74 177.61 3.34 Favored 'Trans proline' 0 CA--C 1.531 0.36 0 C-N-CA 122.881 2.387 . . . . 75.32 112.953 -179.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 115.469 -0.787 . . . . 72.4 110.639 -177.761 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 10.7 m . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 121.497 0.665 . . . . 65.43 110.465 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' P' P ' 639' ' ' ALA . . . . . . . . . . . . . . . -109.59 153.41 42.91 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.379 -0.828 . . . . 45.2 110.33 179.653 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 10.7 Cg_endo -54.92 133.77 59.69 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.581 2.188 . . . . 45.1 112.21 179.217 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 641' ' ' PRO . . . . . 0.514 ' HA ' ' HD3' ' P' ' 642' ' ' PRO . 76.6 Cg_endo -78.7 147.66 22.13 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.92 2.413 . . . . 72.44 112.627 -178.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 642' ' ' PRO . . . . . 0.514 ' HD3' ' HA ' ' P' ' 641' ' ' PRO . 21.3 Cg_exo -65.29 163.67 28.47 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.948 2.432 . . . . 75.44 112.417 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -66.56 150.15 49.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.846 -0.616 . . . . 75.32 111.198 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -56.47 -36.91 69.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.744 -0.662 . . . . 75.22 111.372 -178.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -76.77 -12.87 60.04 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.727 0.639 . . . . 72.25 112.727 -177.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 4.8 t -117.72 -14.24 10.17 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.123 -0.631 . . . . 50.03 112.417 -176.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 647' ' ' LEU . . . . . . . . . . . . . 3.9 pp -79.15 -15.04 58.7 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-O 120.878 0.371 . . . . 74.23 111.054 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.524 0 CA-C-N 115.909 -0.587 . . . . 73.33 111.674 -179.616 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.959 0 N-CA-C 111.502 -0.639 . . . . 74.24 111.502 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 16.5 p -75.44 -36.19 60.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.549 0.69 . . . . 72.43 109.416 177.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 418' ' ' MET . . . . . . . . . . . . . 15.7 tpt -134.71 114.15 12.4 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.0 -1.0 . . . . 63.41 109.557 178.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 419' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -72.15 168.25 18.58 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.69 -0.485 . . . . 64.14 109.69 177.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 420' ' ' GLN . . . . . 0.499 ' H ' ' NE2' ' W' ' 420' ' ' GLN . 0.3 OUTLIER -58.44 -45.18 89.03 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 111.745 0.276 . . . . 74.43 111.745 -175.849 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . 63.67 -123.27 28.49 Favored Glycine 0 C--N 1.333 0.411 0 C-N-CA 120.511 -0.852 . . . . 54.45 112.497 178.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 422' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -110.56 114.43 27.83 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.146 -0.686 . . . . 73.32 109.146 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 423' ' ' LEU . . . . . 0.737 ' HB3' ' HB2' ' W' ' 427' ' ' TRP . 3.3 mm? -81.61 153.13 70.56 Favored Pre-proline 0 C--N 1.317 -0.836 0 CA-C-N 116.532 -0.304 . . . . 74.12 110.354 -179.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -60.13 159.88 24.61 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 122.471 2.114 . . . . 74.13 111.133 178.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 3.1 tpmt? -53.34 104.2 0.09 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.393 0.616 . . . . 64.43 112.374 -177.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 116.5 -3.88 19.85 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.325 -0.852 . . . . 74.22 112.214 173.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 427' ' ' TRP . . . . . 0.737 ' HB2' ' HB3' ' W' ' 423' ' ' LEU . 46.7 m95 -94.65 152.64 18.33 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.635 -0.506 . . . . 63.25 109.635 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -145.33 158.81 43.75 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 108.566 -0.902 . . . . 73.35 108.566 -177.72 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 9.0 p -121.57 131.01 74.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 118.663 0.665 . . . . 75.4 109.986 178.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 430' ' ' ARG . . . . . 0.474 ' HD2' HD11 ' W' ' 440' ' ' ILE . 12.9 ttt-85 -113.83 -154.05 0.54 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.253 0.549 . . . . 54.23 112.115 -175.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -151.34 112.56 4.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.316 -0.856 . . . . 72.25 109.404 -170.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -85.49 153.84 58.97 Favored Pre-proline 0 C--N 1.321 -0.638 0 N-CA-C 109.994 -0.373 . . . . 74.2 109.994 179.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -57.86 -21.42 48.79 Favored 'Trans proline' 0 CA--C 1.53 0.316 0 C-N-CA 122.875 2.383 . . . . 64.2 112.727 -179.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -79.42 -8.01 58.81 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.303 -0.408 . . . . 64.44 111.078 179.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 90.49 22.99 32.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 121.055 -0.593 . . . . 72.52 111.85 -178.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 436' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' W' ' 436' ' ' ARG . 10.1 mmm180 -109.86 136.86 20.34 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-O 120.686 0.279 . . . . 72.13 110.759 -179.124 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 437' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' W' ' 436' ' ' ARG . 37.7 Cg_endo -86.97 125.67 2.32 Favored 'Trans proline' 0 N--CA 1.448 -1.163 0 C-N-CA 122.636 2.224 . . . . 55.31 111.749 176.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -122.78 144.91 48.86 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.723 -0.473 . . . . 75.31 109.723 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 78.5 m-85 -90.18 142.43 27.73 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.958 -0.565 . . . . 73.25 111.157 -177.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 440' ' ' ILE . . . . . 0.769 HD13 HD13 ' P' ' 647' ' ' LEU . 40.2 mt -119.97 118.28 56.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.48 -0.782 . . . . 75.14 109.892 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 441' ' ' ASP . . . . . 0.592 ' OD2' HG22 ' W' ' 444' ' ' THR . 12.3 t70 -95.81 120.14 35.54 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.379 0.609 . . . . 73.23 110.753 179.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 35.8 m-70 -82.2 -7.19 59.62 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.25 -0.886 . . . . 73.22 111.51 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 50.2 m-80 -84.28 -58.03 2.92 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.655 0.264 . . . . 72.14 111.563 -177.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 444' ' ' THR . . . . . 0.592 HG22 ' OD2' ' W' ' 441' ' ' ASP . 4.2 t -95.54 -0.67 51.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.118 0.485 . . . . 75.41 110.291 -178.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt 63.09 65.56 0.78 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.344 -0.844 . . . . 71.1 111.686 175.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 5.7 t -151.88 167.95 26.68 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.856 0.36 . . . . 71.23 111.159 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 447' ' ' THR . . . . . 0.556 HG22 HG12 ' W' ' 440' ' ' ILE . 20.8 p -120.25 145.59 46.9 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.336 -0.616 . . . . 61.21 109.336 177.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 448' ' ' THR . . . . . 0.526 ' OG1' ' HG2' ' W' ' 450' ' ' GLU . 14.5 t -141.24 156.29 45.91 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.236 0.541 . . . . 71.1 111.939 -178.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 89.3 m95 -105.56 -6.7 19.1 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.172 -0.922 . . . . 73.32 110.782 -179.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 450' ' ' GLU . . . . . 0.526 ' HG2' ' OG1' ' W' ' 448' ' ' THR . 11.3 pt-20 -99.23 161.83 13.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.963 -0.562 . . . . 61.34 110.849 -176.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 451' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -89.44 123.97 65.53 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.225 -0.443 . . . . 72.41 110.787 -174.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -84.76 -8.3 9.3 Favored 'Trans proline' 0 CA--C 1.534 0.48 0 C-N-CA 122.701 2.267 . . . . 72.11 113.858 -178.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 453' ' ' ARG . . . . . 0.706 ' HE ' ' HA ' ' W' ' 453' ' ' ARG . 2.4 mmp_? -94.82 -24.13 17.19 Favored 'General case' 0 C--N 1.329 -0.31 0 O-C-N 121.998 -0.439 . . . . 74.14 111.947 178.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 75.7 mt -77.06 -16.39 59.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.166 0.508 . . . . 73.33 110.465 177.131 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 28.9 mmmt -122.67 149.93 43.37 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.765 -0.652 . . . . 73.42 109.806 -178.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 456' ' ' ILE . . . . . 0.422 ' HA ' ' HD3' ' W' ' 457' ' ' PRO . 10.8 tt -146.44 106.99 4.1 Favored Pre-proline 0 C--N 1.326 -0.422 0 CA-C-O 121.271 0.557 . . . . 50.5 110.752 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 457' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' W' ' 456' ' ' ILE . 2.8 Cg_exo -76.47 171.58 17.79 Favored 'Trans proline' 0 C--O 1.234 0.304 0 C-N-CA 123.001 2.467 . . . . 60.13 112.54 -179.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.594 0 CA-C-N 115.858 -0.61 . . . . 72.11 110.636 179.441 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 15.2 t . . . . . 0 C--O 1.234 0.277 0 CA-C-O 121.392 0.615 . . . . 61.04 110.039 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' P' P ' 639' ' ' ALA . . . . . 0.474 ' HA ' ' HD3' ' P' ' 640' ' ' PRO . . . -93.9 125.89 51.33 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 115.375 -0.83 . . . . 53.22 110.526 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 640' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' P' ' 639' ' ' ALA . 11.2 Cg_exo -71.65 157.92 54.67 Favored 'Trans proline' 0 C--O 1.235 0.353 0 C-N-CA 122.881 2.388 . . . . 70.45 112.334 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 641' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -70.16 162.41 42.37 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.347 2.032 . . . . 74.42 111.628 178.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 642' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.65 169.49 4.28 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.817 2.345 . . . . 64.24 112.933 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 643' ' ' ALA . . . . . 0.451 ' O ' HG22 ' P' ' 646' ' ' THR . . . -64.37 145.17 56.49 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.943 -0.572 . . . . 72.54 111.254 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -55.41 -39.38 70.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.062 -0.517 . . . . 74.42 111.35 -178.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -64.83 -26.6 68.41 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.554 0.576 . . . . 75.15 112.554 -177.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' P' P ' 646' ' ' THR . . . . . 0.451 HG22 ' O ' ' P' ' 643' ' ' ALA . 6.3 t -99.16 -2.44 36.85 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.626 -0.43 . . . . 71.41 111.288 -177.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 647' ' ' LEU . . . . . 0.769 HD13 HD13 ' W' ' 440' ' ' ILE . 3.6 pp -116.87 -10.41 11.01 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.83 0.348 . . . . 74.32 111.224 178.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.428 0 C-N-CA 121.053 -0.594 . . . . 73.41 111.803 -179.585 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.549 0 N-CA-C 112.169 -0.373 . . . . 61.03 112.169 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 47.0 t -139.98 149.99 43.92 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.243 -0.651 . . . . 70.43 109.243 178.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 418' ' ' MET . . . . . 0.686 ' HG2' ' HB2' ' W' ' 453' ' ' ARG . 11.4 tpt -137.94 138.41 38.95 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.93 0.395 . . . . 70.12 110.717 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 419' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -89.08 31.51 0.87 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.235 -0.439 . . . . 62.22 110.812 -178.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -130.22 120.18 24.07 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.826 0.346 . . . . 74.1 111.612 -175.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . -100.59 18.11 55.63 Favored Glycine 0 N--CA 1.448 -0.518 0 N-CA-C 110.148 -1.181 . . . . 42.45 110.148 174.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 422' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -116.3 123.88 48.77 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.035 -0.583 . . . . 72.04 109.677 -178.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 423' ' ' LEU . . . . . 0.485 HD11 ' CE1' ' W' ' 439' ' ' PHE . 2.7 mm? -103.32 153.46 38.45 Favored Pre-proline 0 C--N 1.315 -0.898 0 CA-C-N 115.589 -0.732 . . . . 72.11 110.98 -177.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.2 165.69 8.51 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.632 2.222 . . . . 75.22 111.402 178.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -71.97 107.52 4.74 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.173 0.511 . . . . 73.11 110.31 -177.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 129.76 -21.16 5.06 Favored Glycine 0 N--CA 1.441 -1.025 0 N-CA-C 110.386 -1.086 . . . . 34.25 110.386 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 427' ' ' TRP . . . . . 0.408 ' HB2' ' HB3' ' W' ' 423' ' ' LEU . 53.8 m95 -102.59 128.28 49.32 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.04 -0.356 . . . . 64.52 110.04 178.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -113.66 165.6 12.37 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.4 -0.963 . . . . 73.14 108.4 177.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 11.7 p -124.88 137.57 57.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.441 0.638 . . . . 51.33 110.866 177.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 430' ' ' ARG . . . . . 0.529 ' HG2' ' H ' ' W' ' 431' ' ' HIS . 13.0 ttt180 -123.92 -153.18 0.54 Allowed 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.671 -0.695 . . . . 71.34 110.415 -178.255 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 431' ' ' HIS . . . . . 0.529 ' H ' ' HG2' ' W' ' 430' ' ' ARG . 18.9 m80 -153.75 125.28 7.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.723 0.297 . . . . 74.12 110.657 -168.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -100.87 155.87 35.81 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.996 -0.547 . . . . 55.24 109.745 177.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.77 -25.34 51.13 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.984 2.456 . . . . 73.4 113.111 -179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -72.64 -12.27 60.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.277 -0.419 . . . . 63.45 111.118 179.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 97.95 1.76 58.43 Favored Glycine 0 N--CA 1.451 -0.336 0 N-CA-C 111.407 -0.677 . . . . 71.51 111.407 -178.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 436' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -86.56 131.19 46.43 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 115.484 -0.358 . . . . 73.11 110.961 179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -87.8 99.14 0.44 Allowed 'Trans proline' 0 N--CA 1.447 -1.22 0 C-N-CA 122.532 2.155 . . . . 70.22 111.439 176.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 50.8 p90 -86.28 143.15 28.06 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 109.545 -0.539 . . . . 75.23 109.545 179.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 439' ' ' PHE . . . . . 0.485 ' CE1' HD11 ' W' ' 423' ' ' LEU . 44.8 m-85 -93.23 151.05 20.05 Favored 'General case' 0 C--N 1.314 -0.935 0 CA-C-N 115.844 -0.616 . . . . 73.3 110.671 -177.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 440' ' ' ILE . . . . . 0.771 HG12 HG22 ' W' ' 447' ' ' THR . 22.4 mt -124.97 120.54 58.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.03 -0.532 . . . . 71.43 109.902 -178.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 441' ' ' ASP . . . . . 0.417 ' OD2' HG22 ' W' ' 444' ' ' THR . 9.1 t70 -90.52 120.48 31.65 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.91 0.386 . . . . 72.04 111.224 -178.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 442' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -77.75 -10.44 59.54 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.03 -0.532 . . . . 71.31 112.402 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -73.78 -57.01 4.27 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.749 -0.38 . . . . 70.4 111.242 -177.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 444' ' ' THR . . . . . 0.417 HG22 ' OD2' ' W' ' 441' ' ' ASP . 9.1 t -104.51 0.24 28.57 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.056 0.455 . . . . 72.5 110.451 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.72 64.49 1.03 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 115.581 -0.736 . . . . 62.43 111.686 178.182 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 14.8 t -141.96 165.79 26.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.195 -0.457 . . . . 73.42 110.365 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 447' ' ' THR . . . . . 0.771 HG22 HG12 ' W' ' 440' ' ' ILE . 8.8 p -113.01 143.14 44.82 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.335 -0.393 . . . . 73.22 110.485 178.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 448' ' ' THR . . . . . . . . . . . . . 11.6 t -136.86 157.53 46.54 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.028 0.442 . . . . 72.1 110.792 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 449' ' ' TRP . . . . . 0.582 ' CZ2' ' HD3' ' P' ' 641' ' ' PRO . 94.0 m95 -104.4 -7.34 19.96 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.101 -0.5 . . . . 74.24 110.949 -179.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 450' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 -93.03 155.49 17.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.99 -0.55 . . . . 71.04 110.629 -175.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 451' ' ' ASP . . . . . 0.405 ' HA ' ' HD3' ' W' ' 452' ' ' PRO . 14.6 t70 -94.46 128.91 38.42 Favored Pre-proline 0 N--CA 1.464 0.26 0 CA-C-N 116.39 -0.368 . . . . 73.45 110.292 -176.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 452' ' ' PRO . . . . . 0.462 ' HG2' HD12 ' W' ' 423' ' ' LEU . 95.6 Cg_endo -87.37 -0.7 7.6 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 122.834 2.356 . . . . 73.12 114.182 -178.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 453' ' ' ARG . . . . . 0.686 ' HB2' ' HG2' ' W' ' 418' ' ' MET . 12.3 mmm180 -92.17 -36.61 13.19 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 121.469 -0.769 . . . . 75.41 112.547 176.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 3.1 pp -74.34 -7.75 53.91 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.134 0.492 . . . . 74.33 111.596 -179.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -147.44 141.1 25.59 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.01 -1.108 . . . . 64.41 108.01 175.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 456' ' ' ILE . . . . . . . . . . . . . 64.6 mt -121.68 112.5 32.33 Favored Pre-proline 0 C--N 1.321 -0.651 0 C-N-CA 120.322 -0.551 . . . . 52.25 111.407 -172.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 457' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_exo -66.08 122.15 9.62 Favored 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 123.014 2.476 . . . . 73.34 111.776 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.323 -0.563 0 CA-C-N 115.81 -0.632 . . . . 30.35 110.925 179.898 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 10.8 m . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.813 0.339 . . . . 32.4 110.43 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' P' P ' 639' ' ' ALA . . . . . . . . . . . . . . . -89.19 115.62 64.15 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.07 -0.514 . . . . 71.15 110.739 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 640' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -63.28 134.51 45.67 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.684 2.256 . . . . 72.41 112.059 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 641' ' ' PRO . . . . . 0.582 ' HD3' ' CZ2' ' W' ' 449' ' ' TRP . 92.9 Cg_endo -85.01 152.3 11.07 Favored 'Trans proline' 0 N--CA 1.457 -0.664 0 C-N-CA 122.722 2.282 . . . . 71.51 112.46 -178.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 642' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' P' ' 641' ' ' PRO . 6.1 Cg_exo -78.3 174.27 12.65 Favored 'Trans proline' 0 N--CA 1.463 -0.323 0 C-N-CA 123.469 2.779 . . . . 64.24 112.275 179.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -72.6 155.91 39.54 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.878 -0.601 . . . . 63.33 111.065 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 644' ' ' TYR . . . . . 0.549 ' HA ' ' HG ' ' P' ' 647' ' ' LEU . 88.8 t80 -59.15 -36.6 75.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 72.42 111.491 -178.367 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -59.73 -20.08 54.14 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 113.014 0.746 . . . . 70.01 113.014 -177.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 13.0 t -113.91 -20.96 10.86 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.451 -0.5 . . . . 75.25 112.224 -178.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' P' P ' 647' ' ' LEU . . . . . 0.549 ' HG ' ' HA ' ' P' ' 644' ' ' TYR . 3.9 pp -87.42 -10.33 52.26 Favored 'General case' 0 C--O 1.234 0.246 0 O-C-N 122.049 -0.407 . . . . 73.12 111.447 -179.119 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.936 -0.649 . . . . 70.31 112.594 179.412 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 111.734 -0.546 . . . . 74.12 111.734 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 19.7 m -87.97 162.23 16.97 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.56 0.219 . . . . 71.41 110.463 -179.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 418' ' ' MET . . . . . . . . . . . . . 21.3 mmt -58.15 129.24 41.05 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.241 -0.436 . . . . 71.01 109.984 -179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 419' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.12 33.7 0.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 114.481 1.289 . . . . 75.41 114.481 -175.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 69.33 -52.15 0.6 Allowed 'General case' 0 CA--C 1.54 0.563 0 N-CA-C 115.604 1.705 . . . . 54.05 115.604 175.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . -90.38 -0.49 76.42 Favored Glycine 0 CA--C 1.522 0.502 0 N-CA-C 115.993 1.157 . . . . 71.03 115.993 -169.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 422' ' ' PHE . . . . . 0.537 ' O ' ' HD2' ' W' ' 453' ' ' ARG . 30.3 t80 -103.09 109.86 21.57 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 118.615 1.207 . . . . 74.34 109.14 178.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 423' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -93.33 153.28 41.52 Favored Pre-proline 0 C--N 1.319 -0.718 0 CA-C-N 115.524 -0.762 . . . . 70.41 111.692 -174.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 424' ' ' PRO . . . . . 0.527 ' HB2' ' CD1' ' W' ' 427' ' ' TRP . 23.1 Cg_exo -64.07 172.27 6.41 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.959 2.439 . . . . 54.53 111.826 176.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -70.6 109.61 4.97 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.063 0.459 . . . . 72.13 111.16 -175.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 112.07 -20.56 21.53 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.677 -0.773 . . . . 72.2 112.787 178.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 427' ' ' TRP . . . . . 0.647 ' HZ3' HG21 ' W' ' 448' ' ' THR . 50.2 m95 -85.92 115.62 23.65 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.157 0.504 . . . . 64.44 111.002 179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 428' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -107.56 169.41 8.61 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.98 0.419 . . . . 75.14 111.047 178.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 89.6 t -127.14 129.59 71.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.86 -0.609 . . . . 64.4 110.278 -176.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 430' ' ' ARG . . . . . . . . . . . . . 4.6 ttt-85 -110.4 -158.19 0.64 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.187 -0.301 . . . . 72.35 110.187 178.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 4.5 m170 -155.02 110.72 3.12 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 121.228 -0.189 . . . . 74.21 110.736 -171.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -81.99 154.53 70.12 Favored Pre-proline 0 C--N 1.326 -0.451 0 N-CA-C 109.325 -0.62 . . . . 74.21 109.325 176.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -51.95 -31.82 45.13 Favored 'Trans proline' 0 N--CA 1.475 0.425 0 C-N-CA 123.19 2.593 . . . . 65.04 113.434 -178.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -77.01 -7.46 55.68 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 116.493 -0.322 . . . . 72.43 111.525 179.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 94.2 18.19 37.45 Favored Glycine 0 N--CA 1.448 -0.5 0 C-N-CA 120.776 -0.726 . . . . 75.01 111.799 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 436' ' ' ARG . . . . . . . . . . . . . 25.0 mmm180 -94.14 114.41 63.18 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.001 0.429 . . . . 64.44 110.477 179.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 437' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -83.96 106.13 1.2 Allowed 'Trans proline' 0 N--CA 1.456 -0.715 0 C-N-CA 122.795 2.33 . . . . 74.14 112.575 179.265 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 29.9 p90 -94.9 157.83 15.74 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 120.076 -0.65 . . . . 73.44 109.515 176.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 439' ' ' PHE . . . . . . . . . . . . . 46.3 m-85 -95.44 143.35 26.86 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.374 0.607 . . . . 74.11 111.518 -175.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 440' ' ' ILE . . . . . . . . . . . . . 58.2 mt -112.81 134.46 55.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.074 -0.966 . . . . 65.21 108.734 178.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 441' ' ' ASP . . . . . 0.421 ' OD2' HG22 ' W' ' 444' ' ' THR . 24.2 t70 -108.32 116.06 31.26 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.247 0.546 . . . . 61.2 111.901 -176.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 442' ' ' HIS . . . . . 0.416 ' O ' ' HE3' ' W' ' 445' ' ' LYS . 44.3 m-70 -79.6 1.28 26.67 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.514 -0.767 . . . . 72.11 111.919 178.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -91.33 -58.55 2.41 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 121.945 -0.472 . . . . 53.52 111.917 -175.066 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 444' ' ' THR . . . . . 0.421 HG22 ' OD2' ' W' ' 441' ' ' ASP . 8.9 t -104.07 3.59 33.4 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.915 0.388 . . . . 72.12 110.523 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 445' ' ' LYS . . . . . 0.416 ' HE3' ' O ' ' W' ' 442' ' ' HIS . 16.5 mmtp 65.41 65.27 0.57 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.663 -0.699 . . . . 74.52 111.596 176.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 446' ' ' THR . . . . . . . . . . . . . 13.2 t -152.62 -177.69 6.4 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.08 -0.509 . . . . 72.41 110.418 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 447' ' ' THR . . . . . . . . . . . . . 17.1 p -119.81 150.09 41.0 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.171 -0.677 . . . . 75.03 109.171 176.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 448' ' ' THR . . . . . 0.647 HG21 ' HZ3' ' W' ' 427' ' ' TRP . 5.3 t -146.95 155.66 42.45 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.033 -0.667 . . . . 72.22 111.663 -177.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 96.0 m95 -106.12 -15.59 14.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.739 -0.664 . . . . 72.32 111.152 179.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 450' ' ' GLU . . . . . 0.519 ' HG2' ' OG1' ' W' ' 448' ' ' THR . 11.3 pt-20 -75.24 130.52 39.25 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 121.3 0.571 . . . . 73.21 111.345 -178.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 451' ' ' ASP . . . . . 0.417 ' HA ' ' HD3' ' W' ' 452' ' ' PRO . 3.9 t70 -84.51 124.03 73.91 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.48 -0.782 . . . . 74.24 111.233 179.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 452' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' W' ' 451' ' ' ASP . 79.4 Cg_endo -95.24 24.26 0.36 Allowed 'Trans proline' 0 N--CA 1.459 -0.504 0 C-N-CA 123.635 2.89 . . . . 70.11 112.186 177.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 453' ' ' ARG . . . . . 0.769 ' HA ' ' NE ' ' W' ' 453' ' ' ARG . 3.2 mmp_? -100.48 -50.6 3.86 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.796 -0.638 . . . . 70.43 111.475 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 454' ' ' LEU . . . . . . . . . . . . . 92.9 mt -76.43 1.67 15.79 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.821 -0.627 . . . . 72.23 111.373 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 455' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.71 161.8 41.49 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.193 -0.458 . . . . 74.14 110.681 -179.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 456' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' W' ' 457' ' ' PRO . 20.0 pt -126.61 123.3 23.9 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.29 -0.414 . . . . 73.25 110.055 178.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 457' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' W' ' 456' ' ' ILE . 16.9 Cg_exo -67.21 125.92 14.25 Favored 'Trans proline' 0 C--O 1.236 0.391 0 C-N-CA 122.84 2.36 . . . . 72.12 112.322 -178.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.246 0 CA-C-N 116.095 -0.502 . . . . 54.13 111.74 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 25.3 p . . . . . 0 C--O 1.235 0.295 0 CA-C-O 120.933 0.397 . . . . 61.52 111.127 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' P' P ' 639' ' ' ALA . . . . . 0.401 ' HA ' ' HD2' ' P' ' 640' ' ' PRO . . . -124.34 112.95 27.82 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 116.203 -0.453 . . . . 42.53 110.561 179.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 640' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' P' ' 639' ' ' ALA . 32.2 Cg_endo -67.13 134.19 33.19 Favored 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.123 1.882 . . . . 55.05 111.189 177.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 641' ' ' PRO . . . . . 0.529 ' HA ' ' HD3' ' P' ' 642' ' ' PRO . 93.3 Cg_endo -80.62 124.98 5.38 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.497 2.131 . . . . 45.3 112.806 -177.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 642' ' ' PRO . . . . . 0.593 ' HD2' HD21 ' P' ' 647' ' ' LEU . 13.4 Cg_exo -70.76 173.6 11.63 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 123.519 2.813 . . . . 72.02 111.978 178.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 643' ' ' ALA . . . . . 0.568 ' O ' ' HG ' ' P' ' 647' ' ' LEU . . . -72.2 156.92 38.63 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.045 0.45 . . . . 65.25 111.495 -178.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 644' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -57.01 -29.09 63.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.628 -0.715 . . . . 75.34 111.945 -177.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -62.74 -30.47 71.45 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.464 0.542 . . . . 73.12 112.464 -177.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 11.7 t -109.34 3.84 21.98 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.279 0.562 . . . . 61.52 110.842 -178.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' P' P ' 647' ' ' LEU . . . . . 0.593 HD21 ' HD2' ' P' ' 642' ' ' PRO . 43.8 mt -88.93 -20.06 25.0 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.281 -0.418 . . . . 74.11 111.078 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 C-N-CA 120.609 -0.805 . . . . 25.44 112.117 179.817 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' W' W ' 416' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.929 0 N-CA-C 111.843 -0.503 . . . . 50.11 111.843 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' W' W ' 417' ' ' SER . . . . . . . . . . . . . 16.3 m -84.19 21.22 1.43 Allowed 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.823 0.305 . . . . 51.32 111.823 -177.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 418' ' ' MET . . . . . 0.672 ' HG2' ' OD2' ' W' ' 451' ' ' ASP . 2.1 mpp? -132.08 -79.03 0.51 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.947 0.403 . . . . 64.03 109.923 -179.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 419' ' ' GLU . . . . . . . . . . . . . 60.5 mm-40 -154.79 159.65 40.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.102 -0.954 . . . . 51.43 108.545 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 420' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -106.85 84.07 1.93 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.229 0.537 . . . . 75.12 109.89 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 421' ' ' GLY . . . . . . . . . . . . . . . 106.2 -40.57 2.45 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.73 -0.747 . . . . 24.41 112.458 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 422' ' ' PHE . . . . . 0.46 ' O ' HD22 ' W' ' 423' ' ' LEU . 20.5 t80 -67.34 107.28 2.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.283 0.564 . . . . 61.23 110.723 179.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 423' ' ' LEU . . . . . 0.46 HD22 ' O ' ' W' ' 422' ' ' PHE . 4.2 mm? -132.32 165.36 36.75 Favored Pre-proline 0 C--N 1.322 -0.592 0 N-CA-C 108.579 -0.897 . . . . 72.22 108.579 -178.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 424' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_exo -53.83 125.09 17.53 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 121.451 1.434 . . . . 74.12 109.678 173.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 425' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.19 96.91 0.08 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.951 0.881 . . . . 74.15 112.274 -174.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 426' ' ' GLY . . . . . . . . . . . . . . . 154.83 -20.48 0.59 Allowed Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 108.231 -1.948 . . . . 74.1 108.231 172.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 427' ' ' TRP . . . . . . . . . . . . . 43.9 m95 -89.36 171.71 9.56 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 114.199 -1.0 . . . . 73.22 109.26 173.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 428' ' ' GLU . . . . . 0.54 ' HB2' ' NE2' ' W' ' 442' ' ' HIS . 9.2 tp10 -146.88 146.91 30.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.158 0.504 . . . . 73.42 111.886 -176.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 429' ' ' VAL . . . . . . . . . . . . . 62.4 t -97.93 125.82 51.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.222 -0.899 . . . . 73.33 109.811 175.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 430' ' ' ARG . . . . . 0.441 ' O ' ' HA ' ' W' ' 437' ' ' PRO . 7.8 tpt180 -133.26 147.03 51.92 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.234 -0.587 . . . . 75.2 110.943 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 431' ' ' HIS . . . . . . . . . . . . . 18.6 m170 -91.74 138.81 31.25 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.069 0.462 . . . . 63.25 111.886 -178.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 432' ' ' ALA . . . . . . . . . . . . . . . -101.54 163.75 17.26 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.338 -0.846 . . . . 55.35 109.48 176.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 433' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.85 -6.05 3.13 Favored 'Trans proline' 0 CA--C 1.534 0.504 0 C-N-CA 123.093 2.529 . . . . 55.22 113.642 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 434' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -107.87 15.45 24.46 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.966 0.412 . . . . 61.13 110.544 -178.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 435' ' ' GLY . . . . . . . . . . . . . . . 70.59 9.87 65.96 Favored Glycine 0 C--O 1.229 -0.184 0 C-N-CA 121.119 -0.562 . . . . 63.43 112.575 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 436' ' ' ARG . . . . . 0.431 ' HA ' ' HD3' ' W' ' 437' ' ' PRO . 19.5 tpp180 -93.53 118.3 67.51 Favored Pre-proline 0 C--N 1.326 -0.425 0 N-CA-C 110.248 -0.278 . . . . 75.13 110.248 -179.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 437' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' W' ' 430' ' ' ARG . 5.8 Cg_exo -78.9 111.44 2.96 Favored 'Trans proline' 0 N--CA 1.453 -0.906 0 C-N-CA 122.841 2.361 . . . . 62.35 111.471 176.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 438' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -99.85 165.71 11.43 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.844 -0.428 . . . . 73.2 109.844 178.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 439' ' ' PHE . . . . . 0.44 ' CE2' ' HB2' ' W' ' 451' ' ' ASP . 80.6 m-85 -108.32 142.92 37.92 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.977 -0.556 . . . . 72.34 111.28 -175.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 440' ' ' ILE . . . . . 0.785 HG12 HG22 ' W' ' 447' ' ' THR . 21.9 mt -127.34 153.97 37.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.299 -0.864 . . . . 63.41 109.821 -178.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 441' ' ' ASP . . . . . 0.496 ' OD2' HG22 ' W' ' 444' ' ' THR . 6.2 t70 -112.11 131.79 55.23 Favored 'General case' 0 C--N 1.313 -0.997 0 N-CA-C 107.781 -1.192 . . . . 73.44 107.781 173.544 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 442' ' ' HIS . . . . . 0.54 ' NE2' ' HB2' ' W' ' 428' ' ' GLU . 26.8 m170 -79.53 -25.04 41.8 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 119.785 1.175 . . . . 74.44 110.713 -176.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 443' ' ' ASN . . . . . . . . . . . . . 46.3 m-80 -60.65 -56.9 15.81 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.953 -0.567 . . . . 62.01 112.004 -174.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 444' ' ' THR . . . . . 0.656 HG23 ' HB ' ' W' ' 446' ' ' THR . 13.3 t -107.45 7.84 29.17 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.399 -0.364 . . . . 72.0 111.301 -176.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 445' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 60.36 30.69 20.02 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.254 0.55 . . . . 72.21 110.675 179.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 446' ' ' THR . . . . . 0.656 ' HB ' HG23 ' W' ' 444' ' ' THR . 1.0 OUTLIER -92.75 141.66 28.21 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.304 -0.862 . . . . 62.2 111.773 -176.963 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' W' W ' 447' ' ' THR . . . . . 0.785 HG22 HG12 ' W' ' 440' ' ' ILE . 16.4 p -111.33 145.4 38.91 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.803 -0.635 . . . . 61.3 109.948 177.71 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 448' ' ' THR . . . . . 0.452 ' OG1' ' HG2' ' W' ' 450' ' ' GLU . 13.2 t -144.41 163.57 33.38 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.972 0.415 . . . . 63.12 111.131 -178.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 449' ' ' TRP . . . . . . . . . . . . . 99.5 m95 -105.41 -5.9 19.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.056 -0.52 . . . . 74.31 111.266 -178.478 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 450' ' ' GLU . . . . . 0.452 ' HG2' ' OG1' ' W' ' 448' ' ' THR . 7.3 pt-20 -101.04 160.65 14.2 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.429 -0.582 . . . . 71.41 109.429 -179.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 451' ' ' ASP . . . . . 0.672 ' OD2' ' HG2' ' W' ' 418' ' ' MET . 1.8 t70 -114.52 131.37 23.38 Favored Pre-proline 0 C--N 1.323 -0.57 0 C-N-CA 121.327 -0.149 . . . . 75.52 111.317 -173.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_endo -75.51 -4.26 15.03 Favored 'Trans proline' 0 CA--C 1.537 0.675 0 C-N-CA 123.106 2.537 . . . . 74.04 114.036 -179.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 453' ' ' ARG . . . . . 0.52 ' HE ' ' HA ' ' W' ' 453' ' ' ARG . 1.0 OUTLIER -81.7 -50.61 9.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.026 0.441 . . . . 75.3 110.791 175.072 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' W' W ' 454' ' ' LEU . . . . . 0.453 ' HG ' ' OD2' ' W' ' 451' ' ' ASP . 3.9 pp -80.94 -2.5 47.96 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.567 0.581 . . . . 73.25 112.567 -177.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 455' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' W' ' 451' ' ' ASP . 18.1 ptpt -149.86 168.47 23.67 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.537 -0.542 . . . . 72.33 109.537 179.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 456' ' ' ILE . . . . . . . . . . . . . 5.4 pt -129.07 123.63 21.88 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-O 120.708 0.29 . . . . 43.51 110.391 177.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 457' ' ' PRO . . . . . . . . . . . . . 11.1 Cg_endo -54.42 152.17 27.33 Favored 'Trans proline' 0 C--O 1.235 0.338 0 C-N-CA 123.465 2.777 . . . . 62.34 113.358 -178.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 458' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.612 0 CA-C-N 115.443 -0.799 . . . . 42.23 110.42 -178.35 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' P' P ' 638' ' ' THR . . . . . . . . . . . . . 2.3 p . . . . . 0 C--O 1.235 0.296 0 CA-C-O 121.253 0.549 . . . . 74.54 111.209 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' P' P ' 639' ' ' ALA . . . . . 0.451 ' HA ' ' HD3' ' P' ' 640' ' ' PRO . . . -110.97 110.69 56.74 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-N 115.698 -0.683 . . . . 74.25 109.785 177.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 640' ' ' PRO . . . . . 0.477 ' HA ' ' HD3' ' P' ' 641' ' ' PRO . 2.4 Cg_endo -85.62 131.17 3.91 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 122.302 2.001 . . . . 74.31 112.27 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 641' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' P' ' 640' ' ' PRO . 34.2 Cg_endo -92.94 141.52 1.98 Allowed 'Trans proline' 0 N--CA 1.451 -0.997 0 C-N-CA 123.133 2.556 . . . . 70.15 111.482 176.131 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 642' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.1 136.38 72.9 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.562 2.175 . . . . 74.32 112.236 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 643' ' ' ALA . . . . . . . . . . . . . . . -65.93 147.53 53.22 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.17 -0.468 . . . . 61.25 110.418 -179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 644' ' ' TYR . . . . . 0.495 ' HA ' ' HB2' ' P' ' 647' ' ' LEU . 27.6 t80 -62.84 -14.8 50.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.101 0.476 . . . . 60.45 110.812 -178.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 645' ' ' ALA . . . . . . . . . . . . . . . -61.14 -37.81 84.17 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.859 -0.61 . . . . 43.5 110.82 177.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 646' ' ' THR . . . . . . . . . . . . . 14.2 t -96.63 -11.45 25.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.143 0.497 . . . . 71.21 110.439 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' P' P ' 647' ' ' LEU . . . . . 0.495 ' HB2' ' HA ' ' P' ' 644' ' ' TYR . 93.6 mt -84.72 -43.08 14.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.069 -0.514 . . . . 54.33 110.757 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' P' P ' 648' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 C-N-CA 120.94 -0.648 . . . . 71.2 112.037 -179.913 . . . . . . . . 0 0 . 1 stop_ save_